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/seq3_new_new-70b13a85/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 218 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 218 nucleotides atom position constraints swiched ON bacause base: G, 92 is fixed, fixing also its C4' atom bacause base: A, 93 is fixed, fixing also its C4' atom bacause base: G, 94 is fixed, fixing also its C4' atom bacause base: G, 95 is fixed, fixing also its C4' atom bacause base: U, 96 is fixed, fixing also its C4' atom bacause base: C, 97 is fixed, fixing also its C4' atom bacause base: A, 98 is fixed, fixing also its C4' atom bacause base: G, 99 is fixed, fixing also its C4' atom bacause base: G, 100 is fixed, fixing also its C4' atom bacause base: A, 101 is fixed, fixing also its C4' atom bacause base: G, 102 is fixed, fixing also its C4' atom bacause base: U, 103 is fixed, fixing also its C4' atom bacause base: U, 104 is fixed, fixing also its C4' atom bacause base: U, 105 is fixed, fixing also its C4' atom bacause base: G, 106 is fixed, fixing also its C4' atom bacause base: A, 107 is fixed, fixing also its C4' atom bacause base: G, 108 is fixed, fixing also its C4' atom bacause base: A, 109 is fixed, fixing also its C4' atom bacause base: C, 110 is fixed, fixing also its C4' atom bacause base: C, 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: C, 115 is fixed, fixing also its C4' atom bacause base: U, 116 is fixed, fixing also its C4' atom bacause base: G, 117 is fixed, fixing also its C4' atom bacause base: G, 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: A, 121 is fixed, fixing also its C4' atom bacause base: A, 122 is fixed, fixing also its C4' atom bacause base: C, 123 is fixed, fixing also its C4' atom bacause base: A, 124 is fixed, fixing also its C4' atom bacause base: U, 125 is fixed, fixing also its C4' atom bacause base: G, 126 is fixed, fixing also its C4' atom bacause base: G, 127 is fixed, fixing also its C4' atom bacause base: U, 128 is fixed, fixing also its C4' atom bacause base: G, 129 is fixed, fixing also its C4' atom bacause base: A, 130 is fixed, fixing also its C4' atom bacause base: A, 131 is fixed, fixing also its C4' atom bacause base: A, 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: C, 135 is fixed, fixing also its C4' atom bacause base: C, 136 is fixed, fixing also its C4' atom bacause base: A, 137 is fixed, fixing also its C4' atom bacause base: U, 138 is fixed, fixing also its C4' atom bacause base: C, 139 is fixed, fixing also its C4' atom bacause base: U, 140 is fixed, fixing also its C4' atom bacause base: C, 141 is fixed, fixing also its C4' atom bacause base: U, 142 is fixed, fixing also its C4' atom bacause base: A, 143 is fixed, fixing also its C4' atom bacause base: U, 144 is fixed, fixing also its C4' atom bacause base: U, 145 is fixed, fixing also its C4' atom bacause base: A, 146 is fixed, fixing also its C4' atom bacause base: A, 147 is fixed, fixing also its C4' atom bacause base: A, 148 is fixed, fixing also its C4' atom bacause base: A, 149 is fixed, fixing also its C4' atom bacause base: A, 150 is fixed, fixing also its C4' atom bacause base: U, 151 is fixed, fixing also its C4' atom bacause base: A, 152 is fixed, fixing also its C4' atom bacause base: C, 153 is fixed, fixing also its C4' atom bacause base: A, 154 is fixed, fixing also its C4' atom bacause base: A, 155 is fixed, fixing also its C4' atom bacause base: A, 156 is fixed, fixing also its C4' atom bacause base: A, 157 is fixed, fixing also its C4' atom bacause base: A, 158 is fixed, fixing also its C4' atom bacause base: U, 159 is fixed, fixing also its C4' atom bacause base: A, 160 is fixed, fixing also its C4' atom bacause base: U, 161 is fixed, fixing also its C4' atom bacause base: C, 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: G, 166 is fixed, fixing also its C4' atom bacause base: A, 167 is fixed, fixing also its C4' atom bacause base: U, 168 is fixed, fixing also its C4' atom bacause base: A, 169 is fixed, fixing also its C4' atom bacause base: A, 170 is fixed, fixing also its C4' atom bacause base: U, 171 is fixed, fixing also its C4' atom bacause base: U, 172 is fixed, fixing also its C4' atom bacause base: U, 173 is fixed, fixing also its C4' atom bacause base: U, 174 is fixed, fixing also its C4' atom bacause base: U, 175 is fixed, fixing also its C4' atom bacause base: G, 176 is fixed, fixing also its C4' atom bacause base: U, 177 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: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 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/seq3_new_new-70b13a85/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 218 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 218 nucleotides atom position constraints swiched ON bacause base: G, 92 is fixed, fixing also its C4' atom bacause base: A, 93 is fixed, fixing also its C4' atom bacause base: G, 94 is fixed, fixing also its C4' atom bacause base: G, 95 is fixed, fixing also its C4' atom bacause base: U, 96 is fixed, fixing also its C4' atom bacause base: C, 97 is fixed, fixing also its C4' atom bacause base: A, 98 is fixed, fixing also its C4' atom bacause base: G, 99 is fixed, fixing also its C4' atom bacause base: G, 100 is fixed, fixing also its C4' atom bacause base: A, 101 is fixed, fixing also its C4' atom bacause base: G, 102 is fixed, fixing also its C4' atom bacause base: U, 103 is fixed, fixing also its C4' atom bacause base: U, 104 is fixed, fixing also its C4' atom bacause base: U, 105 is fixed, fixing also its C4' atom bacause base: G, 106 is fixed, fixing also its C4' atom bacause base: A, 107 is fixed, fixing also its C4' atom bacause base: G, 108 is fixed, fixing also its C4' atom bacause base: A, 109 is fixed, fixing also its C4' atom bacause base: C, 110 is fixed, fixing also its C4' atom bacause base: C, 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: C, 115 is fixed, fixing also its C4' atom bacause base: U, 116 is fixed, fixing also its C4' atom bacause base: G, 117 is fixed, fixing also its C4' atom bacause base: G, 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: A, 121 is fixed, fixing also its C4' atom bacause base: A, 122 is fixed, fixing also its C4' atom bacause base: C, 123 is fixed, fixing also its C4' atom bacause base: A, 124 is fixed, fixing also its C4' atom bacause base: U, 125 is fixed, fixing also its C4' atom bacause base: G, 126 is fixed, fixing also its C4' atom bacause base: G, 127 is fixed, fixing also its C4' atom bacause base: U, 128 is fixed, fixing also its C4' atom bacause base: G, 129 is fixed, fixing also its C4' atom bacause base: A, 130 is fixed, fixing also its C4' atom bacause base: A, 131 is fixed, fixing also its C4' atom bacause base: A, 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: C, 135 is fixed, fixing also its C4' atom bacause base: C, 136 is fixed, fixing also its C4' atom bacause base: A, 137 is fixed, fixing also its C4' atom bacause base: U, 138 is fixed, fixing also its C4' atom bacause base: C, 139 is fixed, fixing also its C4' atom bacause base: U, 140 is fixed, fixing also its C4' atom bacause base: C, 141 is fixed, fixing also its C4' atom bacause base: U, 142 is fixed, fixing also its C4' atom bacause base: A, 143 is fixed, fixing also its C4' atom bacause base: U, 144 is fixed, fixing also its C4' atom bacause base: U, 145 is fixed, fixing also its C4' atom bacause base: A, 146 is fixed, fixing also its C4' atom bacause base: A, 147 is fixed, fixing also its C4' atom bacause base: A, 148 is fixed, fixing also its C4' atom bacause base: A, 149 is fixed, fixing also its C4' atom bacause base: A, 150 is fixed, fixing also its C4' atom bacause base: U, 151 is fixed, fixing also its C4' atom bacause base: A, 152 is fixed, fixing also its C4' atom bacause base: C, 153 is fixed, fixing also its C4' atom bacause base: A, 154 is fixed, fixing also its C4' atom bacause base: A, 155 is fixed, fixing also its C4' atom bacause base: A, 156 is fixed, fixing also its C4' atom bacause base: A, 157 is fixed, fixing also its C4' atom bacause base: A, 158 is fixed, fixing also its C4' atom bacause base: U, 159 is fixed, fixing also its C4' atom bacause base: A, 160 is fixed, fixing also its C4' atom bacause base: U, 161 is fixed, fixing also its C4' atom bacause base: C, 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: G, 166 is fixed, fixing also its C4' atom bacause base: A, 167 is fixed, fixing also its C4' atom bacause base: U, 168 is fixed, fixing also its C4' atom bacause base: A, 169 is fixed, fixing also its C4' atom bacause base: A, 170 is fixed, fixing also its C4' atom bacause base: U, 171 is fixed, fixing also its C4' atom bacause base: U, 172 is fixed, fixing also its C4' atom bacause base: U, 173 is fixed, fixing also its C4' atom bacause base: U, 174 is fixed, fixing also its C4' atom bacause base: U, 175 is fixed, fixing also its C4' atom bacause base: G, 176 is fixed, fixing also its C4' atom bacause base: U, 177 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: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 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/seq3_new_new-70b13a85/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 218 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 218 nucleotides atom position constraints swiched ON bacause base: G, 92 is fixed, fixing also its C4' atom bacause base: A, 93 is fixed, fixing also its C4' atom bacause base: G, 94 is fixed, fixing also its C4' atom bacause base: G, 95 is fixed, fixing also its C4' atom bacause base: U, 96 is fixed, fixing also its C4' atom bacause base: C, 97 is fixed, fixing also its C4' atom bacause base: A, 98 is fixed, fixing also its C4' atom bacause base: G, 99 is fixed, fixing also its C4' atom bacause base: G, 100 is fixed, fixing also its C4' atom bacause base: A, 101 is fixed, fixing also its C4' atom bacause base: G, 102 is fixed, fixing also its C4' atom bacause base: U, 103 is fixed, fixing also its C4' atom bacause base: U, 104 is fixed, fixing also its C4' atom bacause base: U, 105 is fixed, fixing also its C4' atom bacause base: G, 106 is fixed, fixing also its C4' atom bacause base: A, 107 is fixed, fixing also its C4' atom bacause base: G, 108 is fixed, fixing also its C4' atom bacause base: A, 109 is fixed, fixing also its C4' atom bacause base: C, 110 is fixed, fixing also its C4' atom bacause base: C, 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: C, 115 is fixed, fixing also its C4' atom bacause base: U, 116 is fixed, fixing also its C4' atom bacause base: G, 117 is fixed, fixing also its C4' atom bacause base: G, 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: A, 121 is fixed, fixing also its C4' atom bacause base: A, 122 is fixed, fixing also its C4' atom bacause base: C, 123 is fixed, fixing also its C4' atom bacause base: A, 124 is fixed, fixing also its C4' atom bacause base: U, 125 is fixed, fixing also its C4' atom bacause base: G, 126 is fixed, fixing also its C4' atom bacause base: G, 127 is fixed, fixing also its C4' atom bacause base: U, 128 is fixed, fixing also its C4' atom bacause base: G, 129 is fixed, fixing also its C4' atom bacause base: A, 130 is fixed, fixing also its C4' atom bacause base: A, 131 is fixed, fixing also its C4' atom bacause base: A, 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: C, 135 is fixed, fixing also its C4' atom bacause base: C, 136 is fixed, fixing also its C4' atom bacause base: A, 137 is fixed, fixing also its C4' atom bacause base: U, 138 is fixed, fixing also its C4' atom bacause base: C, 139 is fixed, fixing also its C4' atom bacause base: U, 140 is fixed, fixing also its C4' atom bacause base: C, 141 is fixed, fixing also its C4' atom bacause base: U, 142 is fixed, fixing also its C4' atom bacause base: A, 143 is fixed, fixing also its C4' atom bacause base: U, 144 is fixed, fixing also its C4' atom bacause base: U, 145 is fixed, fixing also its C4' atom bacause base: A, 146 is fixed, fixing also its C4' atom bacause base: A, 147 is fixed, fixing also its C4' atom bacause base: A, 148 is fixed, fixing also its C4' atom bacause base: A, 149 is fixed, fixing also its C4' atom bacause base: A, 150 is fixed, fixing also its C4' atom bacause base: U, 151 is fixed, fixing also its C4' atom bacause base: A, 152 is fixed, fixing also its C4' atom bacause base: C, 153 is fixed, fixing also its C4' atom bacause base: A, 154 is fixed, fixing also its C4' atom bacause base: A, 155 is fixed, fixing also its C4' atom bacause base: A, 156 is fixed, fixing also its C4' atom bacause base: A, 157 is fixed, fixing also its C4' atom bacause base: A, 158 is fixed, fixing also its C4' atom bacause base: U, 159 is fixed, fixing also its C4' atom bacause base: A, 160 is fixed, fixing also its C4' atom bacause base: U, 161 is fixed, fixing also its C4' atom bacause base: C, 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: G, 166 is fixed, fixing also its C4' atom bacause base: A, 167 is fixed, fixing also its C4' atom bacause base: U, 168 is fixed, fixing also its C4' atom bacause base: A, 169 is fixed, fixing also its C4' atom bacause base: A, 170 is fixed, fixing also its C4' atom bacause base: U, 171 is fixed, fixing also its C4' atom bacause base: U, 172 is fixed, fixing also its C4' atom bacause base: U, 173 is fixed, fixing also its C4' atom bacause base: U, 174 is fixed, fixing also its C4' atom bacause base: U, 175 is fixed, fixing also its C4' atom bacause base: G, 176 is fixed, fixing also its C4' atom bacause base: U, 177 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: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 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/seq3_new_new-70b13a85/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 218 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 218 nucleotides atom position constraints swiched ON bacause base: G, 92 is fixed, fixing also its C4' atom bacause base: A, 93 is fixed, fixing also its C4' atom bacause base: G, 94 is fixed, fixing also its C4' atom bacause base: G, 95 is fixed, fixing also its C4' atom bacause base: U, 96 is fixed, fixing also its C4' atom bacause base: C, 97 is fixed, fixing also its C4' atom bacause base: A, 98 is fixed, fixing also its C4' atom bacause base: G, 99 is fixed, fixing also its C4' atom bacause base: G, 100 is fixed, fixing also its C4' atom bacause base: A, 101 is fixed, fixing also its C4' atom bacause base: G, 102 is fixed, fixing also its C4' atom bacause base: U, 103 is fixed, fixing also its C4' atom bacause base: U, 104 is fixed, fixing also its C4' atom bacause base: U, 105 is fixed, fixing also its C4' atom bacause base: G, 106 is fixed, fixing also its C4' atom bacause base: A, 107 is fixed, fixing also its C4' atom bacause base: G, 108 is fixed, fixing also its C4' atom bacause base: A, 109 is fixed, fixing also its C4' atom bacause base: C, 110 is fixed, fixing also its C4' atom bacause base: C, 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: C, 115 is fixed, fixing also its C4' atom bacause base: U, 116 is fixed, fixing also its C4' atom bacause base: G, 117 is fixed, fixing also its C4' atom bacause base: G, 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: A, 121 is fixed, fixing also its C4' atom bacause base: A, 122 is fixed, fixing also its C4' atom bacause base: C, 123 is fixed, fixing also its C4' atom bacause base: A, 124 is fixed, fixing also its C4' atom bacause base: U, 125 is fixed, fixing also its C4' atom bacause base: G, 126 is fixed, fixing also its C4' atom bacause base: G, 127 is fixed, fixing also its C4' atom bacause base: U, 128 is fixed, fixing also its C4' atom bacause base: G, 129 is fixed, fixing also its C4' atom bacause base: A, 130 is fixed, fixing also its C4' atom bacause base: A, 131 is fixed, fixing also its C4' atom bacause base: A, 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: C, 135 is fixed, fixing also its C4' atom bacause base: C, 136 is fixed, fixing also its C4' atom bacause base: A, 137 is fixed, fixing also its C4' atom bacause base: U, 138 is fixed, fixing also its C4' atom bacause base: C, 139 is fixed, fixing also its C4' atom bacause base: U, 140 is fixed, fixing also its C4' atom bacause base: C, 141 is fixed, fixing also its C4' atom bacause base: U, 142 is fixed, fixing also its C4' atom bacause base: A, 143 is fixed, fixing also its C4' atom bacause base: U, 144 is fixed, fixing also its C4' atom bacause base: U, 145 is fixed, fixing also its C4' atom bacause base: A, 146 is fixed, fixing also its C4' atom bacause base: A, 147 is fixed, fixing also its C4' atom bacause base: A, 148 is fixed, fixing also its C4' atom bacause base: A, 149 is fixed, fixing also its C4' atom bacause base: A, 150 is fixed, fixing also its C4' atom bacause base: U, 151 is fixed, fixing also its C4' atom bacause base: A, 152 is fixed, fixing also its C4' atom bacause base: C, 153 is fixed, fixing also its C4' atom bacause base: A, 154 is fixed, fixing also its C4' atom bacause base: A, 155 is fixed, fixing also its C4' atom bacause base: A, 156 is fixed, fixing also its C4' atom bacause base: A, 157 is fixed, fixing also its C4' atom bacause base: A, 158 is fixed, fixing also its C4' atom bacause base: U, 159 is fixed, fixing also its C4' atom bacause base: A, 160 is fixed, fixing also its C4' atom bacause base: U, 161 is fixed, fixing also its C4' atom bacause base: C, 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: G, 166 is fixed, fixing also its C4' atom bacause base: A, 167 is fixed, fixing also its C4' atom bacause base: U, 168 is fixed, fixing also its C4' atom bacause base: A, 169 is fixed, fixing also its C4' atom bacause base: A, 170 is fixed, fixing also its C4' atom bacause base: U, 171 is fixed, fixing also its C4' atom bacause base: U, 172 is fixed, fixing also its C4' atom bacause base: U, 173 is fixed, fixing also its C4' atom bacause base: U, 174 is fixed, fixing also its C4' atom bacause base: U, 175 is fixed, fixing also its C4' atom bacause base: G, 176 is fixed, fixing also its C4' atom bacause base: U, 177 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: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 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/seq3_new_new-70b13a85/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 218 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 218 nucleotides atom position constraints swiched ON bacause base: G, 92 is fixed, fixing also its C4' atom bacause base: A, 93 is fixed, fixing also its C4' atom bacause base: G, 94 is fixed, fixing also its C4' atom bacause base: G, 95 is fixed, fixing also its C4' atom bacause base: U, 96 is fixed, fixing also its C4' atom bacause base: C, 97 is fixed, fixing also its C4' atom bacause base: A, 98 is fixed, fixing also its C4' atom bacause base: G, 99 is fixed, fixing also its C4' atom bacause base: G, 100 is fixed, fixing also its C4' atom bacause base: A, 101 is fixed, fixing also its C4' atom bacause base: G, 102 is fixed, fixing also its C4' atom bacause base: U, 103 is fixed, fixing also its C4' atom bacause base: U, 104 is fixed, fixing also its C4' atom bacause base: U, 105 is fixed, fixing also its C4' atom bacause base: G, 106 is fixed, fixing also its C4' atom bacause base: A, 107 is fixed, fixing also its C4' atom bacause base: G, 108 is fixed, fixing also its C4' atom bacause base: A, 109 is fixed, fixing also its C4' atom bacause base: C, 110 is fixed, fixing also its C4' atom bacause base: C, 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: C, 115 is fixed, fixing also its C4' atom bacause base: U, 116 is fixed, fixing also its C4' atom bacause base: G, 117 is fixed, fixing also its C4' atom bacause base: G, 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: A, 121 is fixed, fixing also its C4' atom bacause base: A, 122 is fixed, fixing also its C4' atom bacause base: C, 123 is fixed, fixing also its C4' atom bacause base: A, 124 is fixed, fixing also its C4' atom bacause base: U, 125 is fixed, fixing also its C4' atom bacause base: G, 126 is fixed, fixing also its C4' atom bacause base: G, 127 is fixed, fixing also its C4' atom bacause base: U, 128 is fixed, fixing also its C4' atom bacause base: G, 129 is fixed, fixing also its C4' atom bacause base: A, 130 is fixed, fixing also its C4' atom bacause base: A, 131 is fixed, fixing also its C4' atom bacause base: A, 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: C, 135 is fixed, fixing also its C4' atom bacause base: C, 136 is fixed, fixing also its C4' atom bacause base: A, 137 is fixed, fixing also its C4' atom bacause base: U, 138 is fixed, fixing also its C4' atom bacause base: C, 139 is fixed, fixing also its C4' atom bacause base: U, 140 is fixed, fixing also its C4' atom bacause base: C, 141 is fixed, fixing also its C4' atom bacause base: U, 142 is fixed, fixing also its C4' atom bacause base: A, 143 is fixed, fixing also its C4' atom bacause base: U, 144 is fixed, fixing also its C4' atom bacause base: U, 145 is fixed, fixing also its C4' atom bacause base: A, 146 is fixed, fixing also its C4' atom bacause base: A, 147 is fixed, fixing also its C4' atom bacause base: A, 148 is fixed, fixing also its C4' atom bacause base: A, 149 is fixed, fixing also its C4' atom bacause base: A, 150 is fixed, fixing also its C4' atom bacause base: U, 151 is fixed, fixing also its C4' atom bacause base: A, 152 is fixed, fixing also its C4' atom bacause base: C, 153 is fixed, fixing also its C4' atom bacause base: A, 154 is fixed, fixing also its C4' atom bacause base: A, 155 is fixed, fixing also its C4' atom bacause base: A, 156 is fixed, fixing also its C4' atom bacause base: A, 157 is fixed, fixing also its C4' atom bacause base: A, 158 is fixed, fixing also its C4' atom bacause base: U, 159 is fixed, fixing also its C4' atom bacause base: A, 160 is fixed, fixing also its C4' atom bacause base: U, 161 is fixed, fixing also its C4' atom bacause base: C, 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: G, 166 is fixed, fixing also its C4' atom bacause base: A, 167 is fixed, fixing also its C4' atom bacause base: U, 168 is fixed, fixing also its C4' atom bacause base: A, 169 is fixed, fixing also its C4' atom bacause base: A, 170 is fixed, fixing also its C4' atom bacause base: U, 171 is fixed, fixing also its C4' atom bacause base: U, 172 is fixed, fixing also its C4' atom bacause base: U, 173 is fixed, fixing also its C4' atom bacause base: U, 174 is fixed, fixing also its C4' atom bacause base: U, 175 is fixed, fixing also its C4' atom bacause base: G, 176 is fixed, fixing also its C4' atom bacause base: U, 177 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: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 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/seq3_new_new-70b13a85/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 218 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 218 nucleotides atom position constraints swiched ON bacause base: G, 92 is fixed, fixing also its C4' atom bacause base: A, 93 is fixed, fixing also its C4' atom bacause base: G, 94 is fixed, fixing also its C4' atom bacause base: G, 95 is fixed, fixing also its C4' atom bacause base: U, 96 is fixed, fixing also its C4' atom bacause base: C, 97 is fixed, fixing also its C4' atom bacause base: A, 98 is fixed, fixing also its C4' atom bacause base: G, 99 is fixed, fixing also its C4' atom bacause base: G, 100 is fixed, fixing also its C4' atom bacause base: A, 101 is fixed, fixing also its C4' atom bacause base: G, 102 is fixed, fixing also its C4' atom bacause base: U, 103 is fixed, fixing also its C4' atom bacause base: U, 104 is fixed, fixing also its C4' atom bacause base: U, 105 is fixed, fixing also its C4' atom bacause base: G, 106 is fixed, fixing also its C4' atom bacause base: A, 107 is fixed, fixing also its C4' atom bacause base: G, 108 is fixed, fixing also its C4' atom bacause base: A, 109 is fixed, fixing also its C4' atom bacause base: C, 110 is fixed, fixing also its C4' atom bacause base: C, 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: C, 115 is fixed, fixing also its C4' atom bacause base: U, 116 is fixed, fixing also its C4' atom bacause base: G, 117 is fixed, fixing also its C4' atom bacause base: G, 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: A, 121 is fixed, fixing also its C4' atom bacause base: A, 122 is fixed, fixing also its C4' atom bacause base: C, 123 is fixed, fixing also its C4' atom bacause base: A, 124 is fixed, fixing also its C4' atom bacause base: U, 125 is fixed, fixing also its C4' atom bacause base: G, 126 is fixed, fixing also its C4' atom bacause base: G, 127 is fixed, fixing also its C4' atom bacause base: U, 128 is fixed, fixing also its C4' atom bacause base: G, 129 is fixed, fixing also its C4' atom bacause base: A, 130 is fixed, fixing also its C4' atom bacause base: A, 131 is fixed, fixing also its C4' atom bacause base: A, 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: C, 135 is fixed, fixing also its C4' atom bacause base: C, 136 is fixed, fixing also its C4' atom bacause base: A, 137 is fixed, fixing also its C4' atom bacause base: U, 138 is fixed, fixing also its C4' atom bacause base: C, 139 is fixed, fixing also its C4' atom bacause base: U, 140 is fixed, fixing also its C4' atom bacause base: C, 141 is fixed, fixing also its C4' atom bacause base: U, 142 is fixed, fixing also its C4' atom bacause base: A, 143 is fixed, fixing also its C4' atom bacause base: U, 144 is fixed, fixing also its C4' atom bacause base: U, 145 is fixed, fixing also its C4' atom bacause base: A, 146 is fixed, fixing also its C4' atom bacause base: A, 147 is fixed, fixing also its C4' atom bacause base: A, 148 is fixed, fixing also its C4' atom bacause base: A, 149 is fixed, fixing also its C4' atom bacause base: A, 150 is fixed, fixing also its C4' atom bacause base: U, 151 is fixed, fixing also its C4' atom bacause base: A, 152 is fixed, fixing also its C4' atom bacause base: C, 153 is fixed, fixing also its C4' atom bacause base: A, 154 is fixed, fixing also its C4' atom bacause base: A, 155 is fixed, fixing also its C4' atom bacause base: A, 156 is fixed, fixing also its C4' atom bacause base: A, 157 is fixed, fixing also its C4' atom bacause base: A, 158 is fixed, fixing also its C4' atom bacause base: U, 159 is fixed, fixing also its C4' atom bacause base: A, 160 is fixed, fixing also its C4' atom bacause base: U, 161 is fixed, fixing also its C4' atom bacause base: C, 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: G, 166 is fixed, fixing also its C4' atom bacause base: A, 167 is fixed, fixing also its C4' atom bacause base: U, 168 is fixed, fixing also its C4' atom bacause base: A, 169 is fixed, fixing also its C4' atom bacause base: A, 170 is fixed, fixing also its C4' atom bacause base: U, 171 is fixed, fixing also its C4' atom bacause base: U, 172 is fixed, fixing also its C4' atom bacause base: U, 173 is fixed, fixing also its C4' atom bacause base: U, 174 is fixed, fixing also its C4' atom bacause base: U, 175 is fixed, fixing also its C4' atom bacause base: G, 176 is fixed, fixing also its C4' atom bacause base: U, 177 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: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 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/seq3_new_new-70b13a85/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 218 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 218 nucleotides atom position constraints swiched ON bacause base: G, 92 is fixed, fixing also its C4' atom bacause base: A, 93 is fixed, fixing also its C4' atom bacause base: G, 94 is fixed, fixing also its C4' atom bacause base: G, 95 is fixed, fixing also its C4' atom bacause base: U, 96 is fixed, fixing also its C4' atom bacause base: C, 97 is fixed, fixing also its C4' atom bacause base: A, 98 is fixed, fixing also its C4' atom bacause base: G, 99 is fixed, fixing also its C4' atom bacause base: G, 100 is fixed, fixing also its C4' atom bacause base: A, 101 is fixed, fixing also its C4' atom bacause base: G, 102 is fixed, fixing also its C4' atom bacause base: U, 103 is fixed, fixing also its C4' atom bacause base: U, 104 is fixed, fixing also its C4' atom bacause base: U, 105 is fixed, fixing also its C4' atom bacause base: G, 106 is fixed, fixing also its C4' atom bacause base: A, 107 is fixed, fixing also its C4' atom bacause base: G, 108 is fixed, fixing also its C4' atom bacause base: A, 109 is fixed, fixing also its C4' atom bacause base: C, 110 is fixed, fixing also its C4' atom bacause base: C, 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: C, 115 is fixed, fixing also its C4' atom bacause base: U, 116 is fixed, fixing also its C4' atom bacause base: G, 117 is fixed, fixing also its C4' atom bacause base: G, 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: A, 121 is fixed, fixing also its C4' atom bacause base: A, 122 is fixed, fixing also its C4' atom bacause base: C, 123 is fixed, fixing also its C4' atom bacause base: A, 124 is fixed, fixing also its C4' atom bacause base: U, 125 is fixed, fixing also its C4' atom bacause base: G, 126 is fixed, fixing also its C4' atom bacause base: G, 127 is fixed, fixing also its C4' atom bacause base: U, 128 is fixed, fixing also its C4' atom bacause base: G, 129 is fixed, fixing also its C4' atom bacause base: A, 130 is fixed, fixing also its C4' atom bacause base: A, 131 is fixed, fixing also its C4' atom bacause base: A, 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: C, 135 is fixed, fixing also its C4' atom bacause base: C, 136 is fixed, fixing also its C4' atom bacause base: A, 137 is fixed, fixing also its C4' atom bacause base: U, 138 is fixed, fixing also its C4' atom bacause base: C, 139 is fixed, fixing also its C4' atom bacause base: U, 140 is fixed, fixing also its C4' atom bacause base: C, 141 is fixed, fixing also its C4' atom bacause base: U, 142 is fixed, fixing also its C4' atom bacause base: A, 143 is fixed, fixing also its C4' atom bacause base: U, 144 is fixed, fixing also its C4' atom bacause base: U, 145 is fixed, fixing also its C4' atom bacause base: A, 146 is fixed, fixing also its C4' atom bacause base: A, 147 is fixed, fixing also its C4' atom bacause base: A, 148 is fixed, fixing also its C4' atom bacause base: A, 149 is fixed, fixing also its C4' atom bacause base: A, 150 is fixed, fixing also its C4' atom bacause base: U, 151 is fixed, fixing also its C4' atom bacause base: A, 152 is fixed, fixing also its C4' atom bacause base: C, 153 is fixed, fixing also its C4' atom bacause base: A, 154 is fixed, fixing also its C4' atom bacause base: A, 155 is fixed, fixing also its C4' atom bacause base: A, 156 is fixed, fixing also its C4' atom bacause base: A, 157 is fixed, fixing also its C4' atom bacause base: A, 158 is fixed, fixing also its C4' atom bacause base: U, 159 is fixed, fixing also its C4' atom bacause base: A, 160 is fixed, fixing also its C4' atom bacause base: U, 161 is fixed, fixing also its C4' atom bacause base: C, 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: G, 166 is fixed, fixing also its C4' atom bacause base: A, 167 is fixed, fixing also its C4' atom bacause base: U, 168 is fixed, fixing also its C4' atom bacause base: A, 169 is fixed, fixing also its C4' atom bacause base: A, 170 is fixed, fixing also its C4' atom bacause base: U, 171 is fixed, fixing also its C4' atom bacause base: U, 172 is fixed, fixing also its C4' atom bacause base: U, 173 is fixed, fixing also its C4' atom bacause base: U, 174 is fixed, fixing also its C4' atom bacause base: U, 175 is fixed, fixing also its C4' atom bacause base: G, 176 is fixed, fixing also its C4' atom bacause base: U, 177 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: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 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/seq3_new_new-70b13a85/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 218 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 218 nucleotides atom position constraints swiched ON bacause base: G, 92 is fixed, fixing also its C4' atom bacause base: A, 93 is fixed, fixing also its C4' atom bacause base: G, 94 is fixed, fixing also its C4' atom bacause base: G, 95 is fixed, fixing also its C4' atom bacause base: U, 96 is fixed, fixing also its C4' atom bacause base: C, 97 is fixed, fixing also its C4' atom bacause base: A, 98 is fixed, fixing also its C4' atom bacause base: G, 99 is fixed, fixing also its C4' atom bacause base: G, 100 is fixed, fixing also its C4' atom bacause base: A, 101 is fixed, fixing also its C4' atom bacause base: G, 102 is fixed, fixing also its C4' atom bacause base: U, 103 is fixed, fixing also its C4' atom bacause base: U, 104 is fixed, fixing also its C4' atom bacause base: U, 105 is fixed, fixing also its C4' atom bacause base: G, 106 is fixed, fixing also its C4' atom bacause base: A, 107 is fixed, fixing also its C4' atom bacause base: G, 108 is fixed, fixing also its C4' atom bacause base: A, 109 is fixed, fixing also its C4' atom bacause base: C, 110 is fixed, fixing also its C4' atom bacause base: C, 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: C, 115 is fixed, fixing also its C4' atom bacause base: U, 116 is fixed, fixing also its C4' atom bacause base: G, 117 is fixed, fixing also its C4' atom bacause base: G, 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: A, 121 is fixed, fixing also its C4' atom bacause base: A, 122 is fixed, fixing also its C4' atom bacause base: C, 123 is fixed, fixing also its C4' atom bacause base: A, 124 is fixed, fixing also its C4' atom bacause base: U, 125 is fixed, fixing also its C4' atom bacause base: G, 126 is fixed, fixing also its C4' atom bacause base: G, 127 is fixed, fixing also its C4' atom bacause base: U, 128 is fixed, fixing also its C4' atom bacause base: G, 129 is fixed, fixing also its C4' atom bacause base: A, 130 is fixed, fixing also its C4' atom bacause base: A, 131 is fixed, fixing also its C4' atom bacause base: A, 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: C, 135 is fixed, fixing also its C4' atom bacause base: C, 136 is fixed, fixing also its C4' atom bacause base: A, 137 is fixed, fixing also its C4' atom bacause base: U, 138 is fixed, fixing also its C4' atom bacause base: C, 139 is fixed, fixing also its C4' atom bacause base: U, 140 is fixed, fixing also its C4' atom bacause base: C, 141 is fixed, fixing also its C4' atom bacause base: U, 142 is fixed, fixing also its C4' atom bacause base: A, 143 is fixed, fixing also its C4' atom bacause base: U, 144 is fixed, fixing also its C4' atom bacause base: U, 145 is fixed, fixing also its C4' atom bacause base: A, 146 is fixed, fixing also its C4' atom bacause base: A, 147 is fixed, fixing also its C4' atom bacause base: A, 148 is fixed, fixing also its C4' atom bacause base: A, 149 is fixed, fixing also its C4' atom bacause base: A, 150 is fixed, fixing also its C4' atom bacause base: U, 151 is fixed, fixing also its C4' atom bacause base: A, 152 is fixed, fixing also its C4' atom bacause base: C, 153 is fixed, fixing also its C4' atom bacause base: A, 154 is fixed, fixing also its C4' atom bacause base: A, 155 is fixed, fixing also its C4' atom bacause base: A, 156 is fixed, fixing also its C4' atom bacause base: A, 157 is fixed, fixing also its C4' atom bacause base: A, 158 is fixed, fixing also its C4' atom bacause base: U, 159 is fixed, fixing also its C4' atom bacause base: A, 160 is fixed, fixing also its C4' atom bacause base: U, 161 is fixed, fixing also its C4' atom bacause base: C, 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: G, 166 is fixed, fixing also its C4' atom bacause base: A, 167 is fixed, fixing also its C4' atom bacause base: U, 168 is fixed, fixing also its C4' atom bacause base: A, 169 is fixed, fixing also its C4' atom bacause base: A, 170 is fixed, fixing also its C4' atom bacause base: U, 171 is fixed, fixing also its C4' atom bacause base: U, 172 is fixed, fixing also its C4' atom bacause base: U, 173 is fixed, fixing also its C4' atom bacause base: U, 174 is fixed, fixing also its C4' atom bacause base: U, 175 is fixed, fixing also its C4' atom bacause base: G, 176 is fixed, fixing also its C4' atom bacause base: U, 177 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: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 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/seq3_new_new-70b13a85/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 218 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 218 nucleotides atom position constraints swiched ON bacause base: G, 92 is fixed, fixing also its C4' atom bacause base: A, 93 is fixed, fixing also its C4' atom bacause base: G, 94 is fixed, fixing also its C4' atom bacause base: G, 95 is fixed, fixing also its C4' atom bacause base: U, 96 is fixed, fixing also its C4' atom bacause base: C, 97 is fixed, fixing also its C4' atom bacause base: A, 98 is fixed, fixing also its C4' atom bacause base: G, 99 is fixed, fixing also its C4' atom bacause base: G, 100 is fixed, fixing also its C4' atom bacause base: A, 101 is fixed, fixing also its C4' atom bacause base: G, 102 is fixed, fixing also its C4' atom bacause base: U, 103 is fixed, fixing also its C4' atom bacause base: U, 104 is fixed, fixing also its C4' atom bacause base: U, 105 is fixed, fixing also its C4' atom bacause base: G, 106 is fixed, fixing also its C4' atom bacause base: A, 107 is fixed, fixing also its C4' atom bacause base: G, 108 is fixed, fixing also its C4' atom bacause base: A, 109 is fixed, fixing also its C4' atom bacause base: C, 110 is fixed, fixing also its C4' atom bacause base: C, 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: C, 115 is fixed, fixing also its C4' atom bacause base: U, 116 is fixed, fixing also its C4' atom bacause base: G, 117 is fixed, fixing also its C4' atom bacause base: G, 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: A, 121 is fixed, fixing also its C4' atom bacause base: A, 122 is fixed, fixing also its C4' atom bacause base: C, 123 is fixed, fixing also its C4' atom bacause base: A, 124 is fixed, fixing also its C4' atom bacause base: U, 125 is fixed, fixing also its C4' atom bacause base: G, 126 is fixed, fixing also its C4' atom bacause base: G, 127 is fixed, fixing also its C4' atom bacause base: U, 128 is fixed, fixing also its C4' atom bacause base: G, 129 is fixed, fixing also its C4' atom bacause base: A, 130 is fixed, fixing also its C4' atom bacause base: A, 131 is fixed, fixing also its C4' atom bacause base: A, 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: C, 135 is fixed, fixing also its C4' atom bacause base: C, 136 is fixed, fixing also its C4' atom bacause base: A, 137 is fixed, fixing also its C4' atom bacause base: U, 138 is fixed, fixing also its C4' atom bacause base: C, 139 is fixed, fixing also its C4' atom bacause base: U, 140 is fixed, fixing also its C4' atom bacause base: C, 141 is fixed, fixing also its C4' atom bacause base: U, 142 is fixed, fixing also its C4' atom bacause base: A, 143 is fixed, fixing also its C4' atom bacause base: U, 144 is fixed, fixing also its C4' atom bacause base: U, 145 is fixed, fixing also its C4' atom bacause base: A, 146 is fixed, fixing also its C4' atom bacause base: A, 147 is fixed, fixing also its C4' atom bacause base: A, 148 is fixed, fixing also its C4' atom bacause base: A, 149 is fixed, fixing also its C4' atom bacause base: A, 150 is fixed, fixing also its C4' atom bacause base: U, 151 is fixed, fixing also its C4' atom bacause base: A, 152 is fixed, fixing also its C4' atom bacause base: C, 153 is fixed, fixing also its C4' atom bacause base: A, 154 is fixed, fixing also its C4' atom bacause base: A, 155 is fixed, fixing also its C4' atom bacause base: A, 156 is fixed, fixing also its C4' atom bacause base: A, 157 is fixed, fixing also its C4' atom bacause base: A, 158 is fixed, fixing also its C4' atom bacause base: U, 159 is fixed, fixing also its C4' atom bacause base: A, 160 is fixed, fixing also its C4' atom bacause base: U, 161 is fixed, fixing also its C4' atom bacause base: C, 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: G, 166 is fixed, fixing also its C4' atom bacause base: A, 167 is fixed, fixing also its C4' atom bacause base: U, 168 is fixed, fixing also its C4' atom bacause base: A, 169 is fixed, fixing also its C4' atom bacause base: A, 170 is fixed, fixing also its C4' atom bacause base: U, 171 is fixed, fixing also its C4' atom bacause base: U, 172 is fixed, fixing also its C4' atom bacause base: U, 173 is fixed, fixing also its C4' atom bacause base: U, 174 is fixed, fixing also its C4' atom bacause base: U, 175 is fixed, fixing also its C4' atom bacause base: G, 176 is fixed, fixing also its C4' atom bacause base: U, 177 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: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 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/seq3_new_new-70b13a85/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 218 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 218 nucleotides atom position constraints swiched ON bacause base: G, 92 is fixed, fixing also its C4' atom bacause base: A, 93 is fixed, fixing also its C4' atom bacause base: G, 94 is fixed, fixing also its C4' atom bacause base: G, 95 is fixed, fixing also its C4' atom bacause base: U, 96 is fixed, fixing also its C4' atom bacause base: C, 97 is fixed, fixing also its C4' atom bacause base: A, 98 is fixed, fixing also its C4' atom bacause base: G, 99 is fixed, fixing also its C4' atom bacause base: G, 100 is fixed, fixing also its C4' atom bacause base: A, 101 is fixed, fixing also its C4' atom bacause base: G, 102 is fixed, fixing also its C4' atom bacause base: U, 103 is fixed, fixing also its C4' atom bacause base: U, 104 is fixed, fixing also its C4' atom bacause base: U, 105 is fixed, fixing also its C4' atom bacause base: G, 106 is fixed, fixing also its C4' atom bacause base: A, 107 is fixed, fixing also its C4' atom bacause base: G, 108 is fixed, fixing also its C4' atom bacause base: A, 109 is fixed, fixing also its C4' atom bacause base: C, 110 is fixed, fixing also its C4' atom bacause base: C, 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: C, 115 is fixed, fixing also its C4' atom bacause base: U, 116 is fixed, fixing also its C4' atom bacause base: G, 117 is fixed, fixing also its C4' atom bacause base: G, 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: A, 121 is fixed, fixing also its C4' atom bacause base: A, 122 is fixed, fixing also its C4' atom bacause base: C, 123 is fixed, fixing also its C4' atom bacause base: A, 124 is fixed, fixing also its C4' atom bacause base: U, 125 is fixed, fixing also its C4' atom bacause base: G, 126 is fixed, fixing also its C4' atom bacause base: G, 127 is fixed, fixing also its C4' atom bacause base: U, 128 is fixed, fixing also its C4' atom bacause base: G, 129 is fixed, fixing also its C4' atom bacause base: A, 130 is fixed, fixing also its C4' atom bacause base: A, 131 is fixed, fixing also its C4' atom bacause base: A, 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: C, 135 is fixed, fixing also its C4' atom bacause base: C, 136 is fixed, fixing also its C4' atom bacause base: A, 137 is fixed, fixing also its C4' atom bacause base: U, 138 is fixed, fixing also its C4' atom bacause base: C, 139 is fixed, fixing also its C4' atom bacause base: U, 140 is fixed, fixing also its C4' atom bacause base: C, 141 is fixed, fixing also its C4' atom bacause base: U, 142 is fixed, fixing also its C4' atom bacause base: A, 143 is fixed, fixing also its C4' atom bacause base: U, 144 is fixed, fixing also its C4' atom bacause base: U, 145 is fixed, fixing also its C4' atom bacause base: A, 146 is fixed, fixing also its C4' atom bacause base: A, 147 is fixed, fixing also its C4' atom bacause base: A, 148 is fixed, fixing also its C4' atom bacause base: A, 149 is fixed, fixing also its C4' atom bacause base: A, 150 is fixed, fixing also its C4' atom bacause base: U, 151 is fixed, fixing also its C4' atom bacause base: A, 152 is fixed, fixing also its C4' atom bacause base: C, 153 is fixed, fixing also its C4' atom bacause base: A, 154 is fixed, fixing also its C4' atom bacause base: A, 155 is fixed, fixing also its C4' atom bacause base: A, 156 is fixed, fixing also its C4' atom bacause base: A, 157 is fixed, fixing also its C4' atom bacause base: A, 158 is fixed, fixing also its C4' atom bacause base: U, 159 is fixed, fixing also its C4' atom bacause base: A, 160 is fixed, fixing also its C4' atom bacause base: U, 161 is fixed, fixing also its C4' atom bacause base: C, 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: G, 166 is fixed, fixing also its C4' atom bacause base: A, 167 is fixed, fixing also its C4' atom bacause base: U, 168 is fixed, fixing also its C4' atom bacause base: A, 169 is fixed, fixing also its C4' atom bacause base: A, 170 is fixed, fixing also its C4' atom bacause base: U, 171 is fixed, fixing also its C4' atom bacause base: U, 172 is fixed, fixing also its C4' atom bacause base: U, 173 is fixed, fixing also its C4' atom bacause base: U, 174 is fixed, fixing also its C4' atom bacause base: U, 175 is fixed, fixing also its C4' atom bacause base: G, 176 is fixed, fixing also its C4' atom bacause base: U, 177 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: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 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: -2710.427727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.427727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.427727 (E_RNA) where: Base-Base interactions energy: -1921.642 where: short stacking energy: -771.201 Base-Backbone interact. energy: -3.271 local terms energy: -785.514721 where: bonds (distance) C4'-P energy: -118.611 bonds (distance) P-C4' energy: -173.019 flat angles C4'-P-C4' energy: -157.989 flat angles P-C4'-P energy: -108.373 tors. eta vs tors. theta energy: -227.522 Dist. restrs. and SS energy: 0.000 (S_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: -2710.427727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.427727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.427727 (E_RNA) where: Base-Base interactions energy: -1921.642 where: short stacking energy: -771.201 Base-Backbone interact. energy: -3.271 local terms energy: -785.514721 where: bonds (distance) C4'-P energy: -118.611 bonds (distance) P-C4' energy: -173.019 flat angles C4'-P-C4' energy: -157.989 flat angles P-C4'-P energy: -108.373 tors. eta vs tors. theta energy: -227.522 Dist. restrs. and SS energy: 0.000 (S_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: -2710.427727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.427727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.427727 (E_RNA) where: Base-Base interactions energy: -1921.642 where: short stacking energy: -771.201 Base-Backbone interact. energy: -3.271 local terms energy: -785.514721 where: bonds (distance) C4'-P energy: -118.611 bonds (distance) P-C4' energy: -173.019 flat angles C4'-P-C4' energy: -157.989 flat angles P-C4'-P energy: -108.373 tors. eta vs tors. theta energy: -227.522 Dist. restrs. and SS energy: 0.000 (S_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: -2710.427727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.427727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.427727 (E_RNA) where: Base-Base interactions energy: -1921.642 where: short stacking energy: -771.201 Base-Backbone interact. energy: -3.271 local terms energy: -785.514721 where: bonds (distance) C4'-P energy: -118.611 bonds (distance) P-C4' energy: -173.019 flat angles C4'-P-C4' energy: -157.989 flat angles P-C4'-P energy: -108.373 tors. eta vs tors. theta energy: -227.522 Dist. restrs. and SS energy: 0.000 (S_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: -2710.427727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.427727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.427727 (E_RNA) where: Base-Base interactions energy: -1921.642 where: short stacking energy: -771.201 Base-Backbone interact. energy: -3.271 local terms energy: -785.514721 where: bonds (distance) C4'-P energy: -118.611 bonds (distance) P-C4' energy: -173.019 flat angles C4'-P-C4' energy: -157.989 flat angles P-C4'-P energy: -108.373 tors. eta vs tors. theta energy: -227.522 Dist. restrs. and SS energy: 0.000 (S_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: -2710.427727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.427727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.427727 (E_RNA) where: Base-Base interactions energy: -1921.642 where: short stacking energy: -771.201 Base-Backbone interact. energy: -3.271 local terms energy: -785.514721 where: bonds (distance) C4'-P energy: -118.611 bonds (distance) P-C4' energy: -173.019 flat angles C4'-P-C4' energy: -157.989 flat angles P-C4'-P energy: -108.373 tors. eta vs tors. theta energy: -227.522 Dist. restrs. and SS energy: 0.000 (S_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: -2710.427727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.427727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.427727 (E_RNA) where: Base-Base interactions energy: -1921.642 where: short stacking energy: -771.201 Base-Backbone interact. energy: -3.271 local terms energy: -785.514721 where: bonds (distance) C4'-P energy: -118.611 bonds (distance) P-C4' energy: -173.019 flat angles C4'-P-C4' energy: -157.989 flat angles P-C4'-P energy: -108.373 tors. eta vs tors. theta energy: -227.522 Dist. restrs. and SS energy: 0.000 (S_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: -2710.427727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.427727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.427727 (E_RNA) where: Base-Base interactions energy: -1921.642 where: short stacking energy: -771.201 Base-Backbone interact. energy: -3.271 local terms energy: -785.514721 where: bonds (distance) C4'-P energy: -118.611 bonds (distance) P-C4' energy: -173.019 flat angles C4'-P-C4' energy: -157.989 flat angles P-C4'-P energy: -108.373 tors. eta vs tors. theta energy: -227.522 Dist. restrs. and SS energy: 0.000 (S_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: -2710.427727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.427727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.427727 (E_RNA) where: Base-Base interactions energy: -1921.642 where: short stacking energy: -771.201 Base-Backbone interact. energy: -3.271 local terms energy: -785.514721 where: bonds (distance) C4'-P energy: -118.611 bonds (distance) P-C4' energy: -173.019 flat angles C4'-P-C4' energy: -157.989 flat angles P-C4'-P energy: -108.373 tors. eta vs tors. theta energy: -227.522 Dist. restrs. and SS energy: 0.000 (S_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: -2710.427727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.427727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.427727 (E_RNA) where: Base-Base interactions energy: -1921.642 where: short stacking energy: -771.201 Base-Backbone interact. energy: -3.271 local terms energy: -785.514721 where: bonds (distance) C4'-P energy: -118.611 bonds (distance) P-C4' energy: -173.019 flat angles C4'-P-C4' energy: -157.989 flat angles P-C4'-P energy: -108.373 tors. eta vs tors. theta energy: -227.522 Dist. restrs. and SS energy: 0.000 (S_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: -2724.680130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.680130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.680130 (E_RNA) where: Base-Base interactions energy: -1942.117 where: short stacking energy: -778.305 Base-Backbone interact. energy: -3.290 local terms energy: -779.273531 where: bonds (distance) C4'-P energy: -127.036 bonds (distance) P-C4' energy: -165.407 flat angles C4'-P-C4' energy: -156.089 flat angles P-C4'-P energy: -104.382 tors. eta vs tors. theta energy: -226.359 Dist. restrs. and SS energy: 0.000 (S_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: -2714.549554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.549554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.549554 (E_RNA) where: Base-Base interactions energy: -1927.873 where: short stacking energy: -769.520 Base-Backbone interact. energy: -2.984 local terms energy: -783.692736 where: bonds (distance) C4'-P energy: -121.345 bonds (distance) P-C4' energy: -169.582 flat angles C4'-P-C4' energy: -156.752 flat angles P-C4'-P energy: -108.746 tors. eta vs tors. theta energy: -227.268 Dist. restrs. and SS energy: 0.000 (S_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: -2713.275869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.275869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.275869 (E_RNA) where: Base-Base interactions energy: -1923.307 where: short stacking energy: -771.725 Base-Backbone interact. energy: -3.404 local terms energy: -786.565374 where: bonds (distance) C4'-P energy: -119.642 bonds (distance) P-C4' energy: -172.233 flat angles C4'-P-C4' energy: -158.556 flat angles P-C4'-P energy: -108.688 tors. eta vs tors. theta energy: -227.446 Dist. restrs. and SS energy: 0.000 (S_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: -2712.584607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.584607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.584607 (E_RNA) where: Base-Base interactions energy: -1922.790 where: short stacking energy: -772.380 Base-Backbone interact. energy: -3.271 local terms energy: -786.523374 where: bonds (distance) C4'-P energy: -119.866 bonds (distance) P-C4' energy: -173.012 flat angles C4'-P-C4' energy: -158.026 flat angles P-C4'-P energy: -108.300 tors. eta vs tors. theta energy: -227.320 Dist. restrs. and SS energy: 0.000 (S_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: -2713.289377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.289377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.289377 (E_RNA) where: Base-Base interactions energy: -1924.952 where: short stacking energy: -773.177 Base-Backbone interact. energy: -3.271 local terms energy: -785.066277 where: bonds (distance) C4'-P energy: -118.401 bonds (distance) P-C4' energy: -173.706 flat angles C4'-P-C4' energy: -157.638 flat angles P-C4'-P energy: -107.843 tors. eta vs tors. theta energy: -227.479 Dist. restrs. and SS energy: 0.000 (S_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: -2712.078379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.078379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.078379 (E_RNA) where: Base-Base interactions energy: -1923.059 where: short stacking energy: -771.809 Base-Backbone interact. energy: -3.271 local terms energy: -785.747798 where: bonds (distance) C4'-P energy: -119.572 bonds (distance) P-C4' energy: -173.012 flat angles C4'-P-C4' energy: -158.059 flat angles P-C4'-P energy: -107.819 tors. eta vs tors. theta energy: -227.285 Dist. restrs. and SS energy: 0.000 (S_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: -2711.785408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.785408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.785408 (E_RNA) where: Base-Base interactions energy: -1923.048 where: short stacking energy: -770.424 Base-Backbone interact. energy: -3.156 local terms energy: -785.581133 where: bonds (distance) C4'-P energy: -119.221 bonds (distance) P-C4' energy: -172.233 flat angles C4'-P-C4' energy: -158.501 flat angles P-C4'-P energy: -108.215 tors. eta vs tors. theta energy: -227.411 Dist. restrs. and SS energy: 0.000 (S_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: -2711.648602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.648602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.648602 (E_RNA) where: Base-Base interactions energy: -1922.611 where: short stacking energy: -771.497 Base-Backbone interact. energy: -3.271 local terms energy: -785.766836 where: bonds (distance) C4'-P energy: -119.572 bonds (distance) P-C4' energy: -173.012 flat angles C4'-P-C4' energy: -158.078 flat angles P-C4'-P energy: -107.819 tors. eta vs tors. theta energy: -227.285 Dist. restrs. and SS energy: 0.000 (S_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: -2710.845954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.845954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.845954 (E_RNA) where: Base-Base interactions energy: -1921.808 where: short stacking energy: -770.694 Base-Backbone interact. energy: -3.271 local terms energy: -785.766836 where: bonds (distance) C4'-P energy: -119.572 bonds (distance) P-C4' energy: -173.012 flat angles C4'-P-C4' energy: -158.078 flat angles P-C4'-P energy: -107.819 tors. eta vs tors. theta energy: -227.285 Dist. restrs. and SS energy: 0.000 (S_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: -2711.112236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.112236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.112236 (E_RNA) where: Base-Base interactions energy: -1922.074 where: short stacking energy: -770.962 Base-Backbone interact. energy: -3.271 local terms energy: -785.766836 where: bonds (distance) C4'-P energy: -119.572 bonds (distance) P-C4' energy: -173.012 flat angles C4'-P-C4' energy: -158.078 flat angles P-C4'-P energy: -107.819 tors. eta vs tors. theta energy: -227.285 Dist. restrs. and SS energy: 0.000 (S_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: -2696.319687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.319687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.319687 (E_RNA) where: Base-Base interactions energy: -1920.569 where: short stacking energy: -776.024 Base-Backbone interact. energy: -1.480 local terms energy: -774.270275 where: bonds (distance) C4'-P energy: -111.790 bonds (distance) P-C4' energy: -150.440 flat angles C4'-P-C4' energy: -168.097 flat angles P-C4'-P energy: -119.476 tors. eta vs tors. theta energy: -224.467 Dist. restrs. and SS energy: 0.000 (S_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: 3 Temperature: 0.950000 Total energy: -2680.307192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.307192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.307192 (E_RNA) where: Base-Base interactions energy: -1918.656 where: short stacking energy: -760.911 Base-Backbone interact. energy: -2.418 local terms energy: -759.233812 where: bonds (distance) C4'-P energy: -111.922 bonds (distance) P-C4' energy: -153.422 flat angles C4'-P-C4' energy: -160.906 flat angles P-C4'-P energy: -111.002 tors. eta vs tors. theta energy: -221.982 Dist. restrs. and SS energy: 0.000 (S_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: 3 Temperature: 1.000000 Total energy: -2638.271949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.271949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.271949 (E_RNA) where: Base-Base interactions energy: -1874.922 where: short stacking energy: -747.448 Base-Backbone interact. energy: -2.616 local terms energy: -760.734470 where: bonds (distance) C4'-P energy: -117.692 bonds (distance) P-C4' energy: -153.544 flat angles C4'-P-C4' energy: -153.434 flat angles P-C4'-P energy: -112.723 tors. eta vs tors. theta energy: -223.342 Dist. restrs. and SS energy: 0.000 (S_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: 3 Temperature: 1.050000 Total energy: -2635.380268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.380268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.380268 (E_RNA) where: Base-Base interactions energy: -1871.023 where: short stacking energy: -754.623 Base-Backbone interact. energy: -2.357 local terms energy: -761.999663 where: bonds (distance) C4'-P energy: -120.365 bonds (distance) P-C4' energy: -154.599 flat angles C4'-P-C4' energy: -161.984 flat angles P-C4'-P energy: -101.253 tors. eta vs tors. theta energy: -223.799 Dist. restrs. and SS energy: 0.000 (S_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: 3 Temperature: 1.100000 Total energy: -2584.080931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.080931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.080931 (E_RNA) where: Base-Base interactions energy: -1838.171 where: short stacking energy: -726.016 Base-Backbone interact. energy: -3.123 local terms energy: -742.786836 where: bonds (distance) C4'-P energy: -120.726 bonds (distance) P-C4' energy: -143.709 flat angles C4'-P-C4' energy: -157.198 flat angles P-C4'-P energy: -97.382 tors. eta vs tors. theta energy: -223.772 Dist. restrs. and SS energy: 0.000 (S_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: -2542.838097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.838097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.838097 (E_RNA) where: Base-Base interactions energy: -1817.939 where: short stacking energy: -723.632 Base-Backbone interact. energy: 3.600 local terms energy: -728.498759 where: bonds (distance) C4'-P energy: -127.416 bonds (distance) P-C4' energy: -143.646 flat angles C4'-P-C4' energy: -149.709 flat angles P-C4'-P energy: -98.744 tors. eta vs tors. theta energy: -208.985 Dist. restrs. and SS energy: 0.000 (S_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: -2492.800964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.800964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.800964 (E_RNA) where: Base-Base interactions energy: -1804.051 where: short stacking energy: -725.180 Base-Backbone interact. energy: -0.584 local terms energy: -688.166159 where: bonds (distance) C4'-P energy: -89.893 bonds (distance) P-C4' energy: -133.282 flat angles C4'-P-C4' energy: -147.424 flat angles P-C4'-P energy: -100.791 tors. eta vs tors. theta energy: -216.776 Dist. restrs. and SS energy: 0.000 (S_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: 3 Temperature: 1.250000 Total energy: -2458.464806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.464806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.464806 (E_RNA) where: Base-Base interactions energy: -1771.229 where: short stacking energy: -696.467 Base-Backbone interact. energy: -2.038 local terms energy: -685.197491 where: bonds (distance) C4'-P energy: -113.150 bonds (distance) P-C4' energy: -127.859 flat angles C4'-P-C4' energy: -148.000 flat angles P-C4'-P energy: -89.658 tors. eta vs tors. theta energy: -206.531 Dist. restrs. and SS energy: 0.000 (S_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: 3 Temperature: 1.300000 Total energy: -2310.695178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.695178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.695178 (E_RNA) where: Base-Base interactions energy: -1646.698 where: short stacking energy: -653.906 Base-Backbone interact. energy: 0.199 local terms energy: -664.197010 where: bonds (distance) C4'-P energy: -111.388 bonds (distance) P-C4' energy: -128.702 flat angles C4'-P-C4' energy: -142.280 flat angles P-C4'-P energy: -85.449 tors. eta vs tors. theta energy: -196.378 Dist. restrs. and SS energy: 0.000 (S_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: -2340.939529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.939529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.939529 (E_RNA) where: Base-Base interactions energy: -1677.514 where: short stacking energy: -674.849 Base-Backbone interact. energy: -2.397 local terms energy: -661.029313 where: bonds (distance) C4'-P energy: -89.863 bonds (distance) P-C4' energy: -138.013 flat angles C4'-P-C4' energy: -149.884 flat angles P-C4'-P energy: -85.939 tors. eta vs tors. theta energy: -197.330 Dist. restrs. and SS energy: 0.000 (S_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: 4 Temperature: 0.900000 Total energy: -2729.919225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.919225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.919225 (E_RNA) where: Base-Base interactions energy: -1938.469 where: short stacking energy: -772.637 Base-Backbone interact. energy: -1.314 local terms energy: -790.136315 where: bonds (distance) C4'-P energy: -127.204 bonds (distance) P-C4' energy: -158.435 flat angles C4'-P-C4' energy: -167.426 flat angles P-C4'-P energy: -109.649 tors. eta vs tors. theta energy: -227.421 Dist. restrs. and SS energy: 0.000 (S_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: 4 Temperature: 0.950000 Total energy: -2673.500832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.500832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.500832 (E_RNA) where: Base-Base interactions energy: -1904.310 where: short stacking energy: -768.393 Base-Backbone interact. energy: -1.828 local terms energy: -767.363092 where: bonds (distance) C4'-P energy: -125.664 bonds (distance) P-C4' energy: -155.312 flat angles C4'-P-C4' energy: -160.383 flat angles P-C4'-P energy: -104.030 tors. eta vs tors. theta energy: -221.973 Dist. restrs. and SS energy: 0.000 (S_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: 4 Temperature: 1.000000 Total energy: -2637.991187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.991187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.991187 (E_RNA) where: Base-Base interactions energy: -1890.716 where: short stacking energy: -752.941 Base-Backbone interact. energy: -1.195 local terms energy: -746.079206 where: bonds (distance) C4'-P energy: -110.063 bonds (distance) P-C4' energy: -152.209 flat angles C4'-P-C4' energy: -155.053 flat angles P-C4'-P energy: -103.690 tors. eta vs tors. theta energy: -225.064 Dist. restrs. and SS energy: 0.000 (S_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: 4 Temperature: 1.050000 Total energy: -2610.925821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.925821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.925821 (E_RNA) where: Base-Base interactions energy: -1872.622 where: short stacking energy: -741.544 Base-Backbone interact. energy: -1.548 local terms energy: -736.755235 where: bonds (distance) C4'-P energy: -103.226 bonds (distance) P-C4' energy: -144.605 flat angles C4'-P-C4' energy: -163.777 flat angles P-C4'-P energy: -113.811 tors. eta vs tors. theta energy: -211.337 Dist. restrs. and SS energy: 0.000 (S_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: -2577.507170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.507170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.507170 (E_RNA) where: Base-Base interactions energy: -1838.292 where: short stacking energy: -725.217 Base-Backbone interact. energy: -1.859 local terms energy: -737.356832 where: bonds (distance) C4'-P energy: -108.083 bonds (distance) P-C4' energy: -154.451 flat angles C4'-P-C4' energy: -155.756 flat angles P-C4'-P energy: -104.837 tors. eta vs tors. theta energy: -214.230 Dist. restrs. and SS energy: 0.000 (S_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: 4 Temperature: 1.150000 Total energy: -2533.065823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.065823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.065823 (E_RNA) where: Base-Base interactions energy: -1817.428 where: short stacking energy: -717.001 Base-Backbone interact. energy: -0.663 local terms energy: -714.975355 where: bonds (distance) C4'-P energy: -118.536 bonds (distance) P-C4' energy: -125.133 flat angles C4'-P-C4' energy: -157.005 flat angles P-C4'-P energy: -106.271 tors. eta vs tors. theta energy: -208.030 Dist. restrs. and SS energy: 0.000 (S_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: 4 Temperature: 1.200000 Total energy: -2527.083349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.083349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.083349 (E_RNA) where: Base-Base interactions energy: -1789.477 where: short stacking energy: -719.569 Base-Backbone interact. energy: -1.785 local terms energy: -735.820482 where: bonds (distance) C4'-P energy: -108.252 bonds (distance) P-C4' energy: -146.296 flat angles C4'-P-C4' energy: -150.582 flat angles P-C4'-P energy: -107.235 tors. eta vs tors. theta energy: -223.455 Dist. restrs. and SS energy: 0.000 (S_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: 4 Temperature: 1.250000 Total energy: -2423.547732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.547732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.547732 (E_RNA) where: Base-Base interactions energy: -1724.884 where: short stacking energy: -687.496 Base-Backbone interact. energy: -0.446 local terms energy: -698.217318 where: bonds (distance) C4'-P energy: -112.200 bonds (distance) P-C4' energy: -140.672 flat angles C4'-P-C4' energy: -139.721 flat angles P-C4'-P energy: -90.315 tors. eta vs tors. theta energy: -215.309 Dist. restrs. and SS energy: 0.000 (S_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: -2434.501912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.501912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.501912 (E_RNA) where: Base-Base interactions energy: -1734.237 where: short stacking energy: -705.569 Base-Backbone interact. energy: 0.650 local terms energy: -700.915347 where: bonds (distance) C4'-P energy: -102.934 bonds (distance) P-C4' energy: -139.001 flat angles C4'-P-C4' energy: -141.895 flat angles P-C4'-P energy: -101.955 tors. eta vs tors. theta energy: -215.131 Dist. restrs. and SS energy: 0.000 (S_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: 4 Temperature: 1.350000 Total energy: -2289.754264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.754264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.754264 (E_RNA) where: Base-Base interactions energy: -1607.169 where: short stacking energy: -657.858 Base-Backbone interact. energy: -0.656 local terms energy: -681.928923 where: bonds (distance) C4'-P energy: -114.440 bonds (distance) P-C4' energy: -127.065 flat angles C4'-P-C4' energy: -154.521 flat angles P-C4'-P energy: -91.215 tors. eta vs tors. theta energy: -194.687 Dist. restrs. and SS energy: 0.000 (S_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: 5 Temperature: 0.900000 Total energy: -2709.787951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.787951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.787951 (E_RNA) where: Base-Base interactions energy: -1923.219 where: short stacking energy: -763.417 Base-Backbone interact. energy: -1.721 local terms energy: -784.847449 where: bonds (distance) C4'-P energy: -134.446 bonds (distance) P-C4' energy: -147.245 flat angles C4'-P-C4' energy: -163.348 flat angles P-C4'-P energy: -114.801 tors. eta vs tors. theta energy: -225.007 Dist. restrs. and SS energy: 0.000 (S_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: 5 Temperature: 0.950000 Total energy: -2669.044052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.044052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.044052 (E_RNA) where: Base-Base interactions energy: -1896.036 where: short stacking energy: -755.071 Base-Backbone interact. energy: -3.674 local terms energy: -769.333487 where: bonds (distance) C4'-P energy: -125.383 bonds (distance) P-C4' energy: -153.159 flat angles C4'-P-C4' energy: -151.712 flat angles P-C4'-P energy: -114.323 tors. eta vs tors. theta energy: -224.756 Dist. restrs. and SS energy: 0.000 (S_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: 5 Temperature: 1.000000 Total energy: -2620.081293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.081293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.081293 (E_RNA) where: Base-Base interactions energy: -1864.680 where: short stacking energy: -736.626 Base-Backbone interact. energy: -2.873 local terms energy: -752.528069 where: bonds (distance) C4'-P energy: -113.305 bonds (distance) P-C4' energy: -155.346 flat angles C4'-P-C4' energy: -154.717 flat angles P-C4'-P energy: -107.037 tors. eta vs tors. theta energy: -222.123 Dist. restrs. and SS energy: 0.000 (S_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: 5 Temperature: 1.050000 Total energy: -2613.041269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.041269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.041269 (E_RNA) where: Base-Base interactions energy: -1873.029 where: short stacking energy: -745.402 Base-Backbone interact. energy: -2.359 local terms energy: -737.652905 where: bonds (distance) C4'-P energy: -116.855 bonds (distance) P-C4' energy: -134.266 flat angles C4'-P-C4' energy: -159.600 flat angles P-C4'-P energy: -101.350 tors. eta vs tors. theta energy: -225.583 Dist. restrs. and SS energy: 0.000 (S_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: 5 Temperature: 1.100000 Total energy: -2550.430979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.430979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.430979 (E_RNA) where: Base-Base interactions energy: -1833.689 where: short stacking energy: -714.379 Base-Backbone interact. energy: -3.504 local terms energy: -713.238338 where: bonds (distance) C4'-P energy: -115.963 bonds (distance) P-C4' energy: -139.717 flat angles C4'-P-C4' energy: -148.811 flat angles P-C4'-P energy: -99.551 tors. eta vs tors. theta energy: -209.198 Dist. restrs. and SS energy: 0.000 (S_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: 5 Temperature: 1.150000 Total energy: -2533.546394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.546394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.546394 (E_RNA) where: Base-Base interactions energy: -1815.454 where: short stacking energy: -726.490 Base-Backbone interact. energy: -1.137 local terms energy: -716.955866 where: bonds (distance) C4'-P energy: -105.950 bonds (distance) P-C4' energy: -138.662 flat angles C4'-P-C4' energy: -154.983 flat angles P-C4'-P energy: -103.740 tors. eta vs tors. theta energy: -213.620 Dist. restrs. and SS energy: 0.000 (S_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: 5 Temperature: 1.200000 Total energy: -2508.018616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.018616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.018616 (E_RNA) where: Base-Base interactions energy: -1782.817 where: short stacking energy: -716.994 Base-Backbone interact. energy: 6.038 local terms energy: -731.239687 where: bonds (distance) C4'-P energy: -99.433 bonds (distance) P-C4' energy: -147.837 flat angles C4'-P-C4' energy: -156.426 flat angles P-C4'-P energy: -108.381 tors. eta vs tors. theta energy: -219.164 Dist. restrs. and SS energy: 0.000 (S_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: -2408.975082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.975082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.975082 (E_RNA) where: Base-Base interactions energy: -1715.147 where: short stacking energy: -694.059 Base-Backbone interact. energy: -3.968 local terms energy: -689.860005 where: bonds (distance) C4'-P energy: -100.750 bonds (distance) P-C4' energy: -130.248 flat angles C4'-P-C4' energy: -149.006 flat angles P-C4'-P energy: -100.714 tors. eta vs tors. theta energy: -209.142 Dist. restrs. and SS energy: 0.000 (S_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: 5 Temperature: 1.300000 Total energy: -2362.017819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.017819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.017819 (E_RNA) where: Base-Base interactions energy: -1651.419 where: short stacking energy: -668.871 Base-Backbone interact. energy: -1.633 local terms energy: -708.965621 where: bonds (distance) C4'-P energy: -110.233 bonds (distance) P-C4' energy: -154.502 flat angles C4'-P-C4' energy: -147.528 flat angles P-C4'-P energy: -97.401 tors. eta vs tors. theta energy: -199.301 Dist. restrs. and SS energy: 0.000 (S_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: 5 Temperature: 1.350000 Total energy: -2271.885523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.885523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.885523 (E_RNA) where: Base-Base interactions energy: -1583.132 where: short stacking energy: -638.891 Base-Backbone interact. energy: 0.195 local terms energy: -688.948941 where: bonds (distance) C4'-P energy: -114.511 bonds (distance) P-C4' energy: -142.822 flat angles C4'-P-C4' energy: -142.791 flat angles P-C4'-P energy: -109.571 tors. eta vs tors. theta energy: -179.253 Dist. restrs. and SS energy: 0.000 (S_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: 6 Temperature: 0.900000 Total energy: -2704.410059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.410059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.410059 (E_RNA) where: Base-Base interactions energy: -1927.661 where: short stacking energy: -761.555 Base-Backbone interact. energy: -1.300 local terms energy: -775.449075 where: bonds (distance) C4'-P energy: -122.912 bonds (distance) P-C4' energy: -146.423 flat angles C4'-P-C4' energy: -165.809 flat angles P-C4'-P energy: -115.798 tors. eta vs tors. theta energy: -224.507 Dist. restrs. and SS energy: 0.000 (S_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: 6 Temperature: 0.950000 Total energy: -2673.522191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.522191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.522191 (E_RNA) where: Base-Base interactions energy: -1915.001 where: short stacking energy: -756.644 Base-Backbone interact. energy: -2.838 local terms energy: -755.682951 where: bonds (distance) C4'-P energy: -118.257 bonds (distance) P-C4' energy: -149.544 flat angles C4'-P-C4' energy: -161.778 flat angles P-C4'-P energy: -103.627 tors. eta vs tors. theta energy: -222.477 Dist. restrs. and SS energy: 0.000 (S_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: 6 Temperature: 1.000000 Total energy: -2636.536435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.536435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.536435 (E_RNA) where: Base-Base interactions energy: -1878.672 where: short stacking energy: -740.640 Base-Backbone interact. energy: 0.023 local terms energy: -757.887678 where: bonds (distance) C4'-P energy: -125.201 bonds (distance) P-C4' energy: -145.399 flat angles C4'-P-C4' energy: -157.584 flat angles P-C4'-P energy: -112.296 tors. eta vs tors. theta energy: -217.408 Dist. restrs. and SS energy: 0.000 (S_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: 6 Temperature: 1.050000 Total energy: -2646.975868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.975868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.975868 (E_RNA) where: Base-Base interactions energy: -1879.651 where: short stacking energy: -743.544 Base-Backbone interact. energy: -2.080 local terms energy: -765.244993 where: bonds (distance) C4'-P energy: -117.507 bonds (distance) P-C4' energy: -153.158 flat angles C4'-P-C4' energy: -157.300 flat angles P-C4'-P energy: -113.726 tors. eta vs tors. theta energy: -223.554 Dist. restrs. and SS energy: 0.000 (S_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: 6 Temperature: 1.100000 Total energy: -2552.666558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.666558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.666558 (E_RNA) where: Base-Base interactions energy: -1817.801 where: short stacking energy: -733.638 Base-Backbone interact. energy: -1.574 local terms energy: -733.291791 where: bonds (distance) C4'-P energy: -111.103 bonds (distance) P-C4' energy: -132.543 flat angles C4'-P-C4' energy: -164.117 flat angles P-C4'-P energy: -98.958 tors. eta vs tors. theta energy: -226.570 Dist. restrs. and SS energy: 0.000 (S_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: 6 Temperature: 1.150000 Total energy: -2548.330596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.330596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.330596 (E_RNA) where: Base-Base interactions energy: -1815.480 where: short stacking energy: -728.687 Base-Backbone interact. energy: -3.233 local terms energy: -729.617815 where: bonds (distance) C4'-P energy: -108.504 bonds (distance) P-C4' energy: -140.119 flat angles C4'-P-C4' energy: -153.874 flat angles P-C4'-P energy: -108.821 tors. eta vs tors. theta energy: -218.300 Dist. restrs. and SS energy: 0.000 (S_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: 6 Temperature: 1.200000 Total energy: -2483.780545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.780545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.780545 (E_RNA) where: Base-Base interactions energy: -1763.494 where: short stacking energy: -715.427 Base-Backbone interact. energy: -0.605 local terms energy: -719.681410 where: bonds (distance) C4'-P energy: -106.002 bonds (distance) P-C4' energy: -146.527 flat angles C4'-P-C4' energy: -140.729 flat angles P-C4'-P energy: -104.602 tors. eta vs tors. theta energy: -221.821 Dist. restrs. and SS energy: 0.000 (S_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: 6 Temperature: 1.250000 Total energy: -2431.753697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.753697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.753697 (E_RNA) where: Base-Base interactions energy: -1730.780 where: short stacking energy: -685.553 Base-Backbone interact. energy: -2.070 local terms energy: -698.904347 where: bonds (distance) C4'-P energy: -110.334 bonds (distance) P-C4' energy: -137.813 flat angles C4'-P-C4' energy: -142.349 flat angles P-C4'-P energy: -97.341 tors. eta vs tors. theta energy: -211.068 Dist. restrs. and SS energy: 0.000 (S_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: -2431.085257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.085257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.085257 (E_RNA) where: Base-Base interactions energy: -1754.761 where: short stacking energy: -701.743 Base-Backbone interact. energy: -1.457 local terms energy: -674.866893 where: bonds (distance) C4'-P energy: -103.209 bonds (distance) P-C4' energy: -129.066 flat angles C4'-P-C4' energy: -148.232 flat angles P-C4'-P energy: -86.027 tors. eta vs tors. theta energy: -208.334 Dist. restrs. and SS energy: 0.000 (S_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: 6 Temperature: 1.350000 Total energy: -2185.590447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.590447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.590447 (E_RNA) where: Base-Base interactions energy: -1525.424 where: short stacking energy: -623.798 Base-Backbone interact. energy: -1.123 local terms energy: -659.043515 where: bonds (distance) C4'-P energy: -103.421 bonds (distance) P-C4' energy: -146.310 flat angles C4'-P-C4' energy: -133.167 flat angles P-C4'-P energy: -91.881 tors. eta vs tors. theta energy: -184.263 Dist. restrs. and SS energy: 0.000 (S_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: 7 Temperature: 0.900000 Total energy: -2722.452909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.452909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.452909 (E_RNA) where: Base-Base interactions energy: -1937.814 where: short stacking energy: -774.343 Base-Backbone interact. energy: -2.065 local terms energy: -782.573676 where: bonds (distance) C4'-P energy: -122.258 bonds (distance) P-C4' energy: -163.243 flat angles C4'-P-C4' energy: -157.264 flat angles P-C4'-P energy: -112.771 tors. eta vs tors. theta energy: -227.037 Dist. restrs. and SS energy: 0.000 (S_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: 7 Temperature: 0.950000 Total energy: -2675.145140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.145140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.145140 (E_RNA) where: Base-Base interactions energy: -1905.280 where: short stacking energy: -749.374 Base-Backbone interact. energy: -0.503 local terms energy: -769.361829 where: bonds (distance) C4'-P energy: -122.605 bonds (distance) P-C4' energy: -157.814 flat angles C4'-P-C4' energy: -162.312 flat angles P-C4'-P energy: -109.475 tors. eta vs tors. theta energy: -217.156 Dist. restrs. and SS energy: 0.000 (S_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: 7 Temperature: 1.000000 Total energy: -2614.487764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.487764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.487764 (E_RNA) where: Base-Base interactions energy: -1860.501 where: short stacking energy: -722.981 Base-Backbone interact. energy: -2.525 local terms energy: -751.461350 where: bonds (distance) C4'-P energy: -108.667 bonds (distance) P-C4' energy: -154.715 flat angles C4'-P-C4' energy: -163.625 flat angles P-C4'-P energy: -111.661 tors. eta vs tors. theta energy: -212.793 Dist. restrs. and SS energy: 0.000 (S_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: 7 Temperature: 1.050000 Total energy: -2573.824956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.824956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.824956 (E_RNA) where: Base-Base interactions energy: -1833.549 where: short stacking energy: -727.445 Base-Backbone interact. energy: -1.899 local terms energy: -738.377460 where: bonds (distance) C4'-P energy: -109.375 bonds (distance) P-C4' energy: -153.151 flat angles C4'-P-C4' energy: -159.025 flat angles P-C4'-P energy: -97.742 tors. eta vs tors. theta energy: -219.084 Dist. restrs. and SS energy: 0.000 (S_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: 7 Temperature: 1.100000 Total energy: -2536.755130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.755130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.755130 (E_RNA) where: Base-Base interactions energy: -1805.870 where: short stacking energy: -734.554 Base-Backbone interact. energy: -1.639 local terms energy: -729.245563 where: bonds (distance) C4'-P energy: -109.525 bonds (distance) P-C4' energy: -148.387 flat angles C4'-P-C4' energy: -152.772 flat angles P-C4'-P energy: -106.662 tors. eta vs tors. theta energy: -211.899 Dist. restrs. and SS energy: 0.000 (S_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: 7 Temperature: 1.150000 Total energy: -2503.776647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.776647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.776647 (E_RNA) where: Base-Base interactions energy: -1780.547 where: short stacking energy: -717.440 Base-Backbone interact. energy: -2.280 local terms energy: -720.950132 where: bonds (distance) C4'-P energy: -116.043 bonds (distance) P-C4' energy: -131.266 flat angles C4'-P-C4' energy: -148.956 flat angles P-C4'-P energy: -108.053 tors. eta vs tors. theta energy: -216.632 Dist. restrs. and SS energy: 0.000 (S_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: 7 Temperature: 1.200000 Total energy: -2489.242379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.242379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.242379 (E_RNA) where: Base-Base interactions energy: -1768.663 where: short stacking energy: -717.113 Base-Backbone interact. energy: -0.896 local terms energy: -719.683450 where: bonds (distance) C4'-P energy: -105.193 bonds (distance) P-C4' energy: -138.718 flat angles C4'-P-C4' energy: -151.496 flat angles P-C4'-P energy: -108.808 tors. eta vs tors. theta energy: -215.468 Dist. restrs. and SS energy: 0.000 (S_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: -2407.686948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.686948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.686948 (E_RNA) where: Base-Base interactions energy: -1738.681 where: short stacking energy: -692.895 Base-Backbone interact. energy: 4.798 local terms energy: -673.803698 where: bonds (distance) C4'-P energy: -101.952 bonds (distance) P-C4' energy: -128.994 flat angles C4'-P-C4' energy: -139.785 flat angles P-C4'-P energy: -97.274 tors. eta vs tors. theta energy: -205.800 Dist. restrs. and SS energy: 0.000 (S_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: 7 Temperature: 1.300000 Total energy: -2380.434418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.434418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.434418 (E_RNA) where: Base-Base interactions energy: -1708.448 where: short stacking energy: -676.704 Base-Backbone interact. energy: 0.716 local terms energy: -672.702816 where: bonds (distance) C4'-P energy: -104.047 bonds (distance) P-C4' energy: -133.679 flat angles C4'-P-C4' energy: -140.334 flat angles P-C4'-P energy: -90.512 tors. eta vs tors. theta energy: -204.132 Dist. restrs. and SS energy: 0.000 (S_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: 7 Temperature: 1.350000 Total energy: -2184.178019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.178019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.178019 (E_RNA) where: Base-Base interactions energy: -1531.152 where: short stacking energy: -618.907 Base-Backbone interact. energy: -2.386 local terms energy: -650.640811 where: bonds (distance) C4'-P energy: -96.140 bonds (distance) P-C4' energy: -142.501 flat angles C4'-P-C4' energy: -143.311 flat angles P-C4'-P energy: -89.768 tors. eta vs tors. theta energy: -178.920 Dist. restrs. and SS energy: 0.000 (S_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: 8 Temperature: 0.900000 Total energy: -2690.940833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.940833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.940833 (E_RNA) where: Base-Base interactions energy: -1931.155 where: short stacking energy: -761.745 Base-Backbone interact. energy: -0.390 local terms energy: -759.395931 where: bonds (distance) C4'-P energy: -116.093 bonds (distance) P-C4' energy: -143.278 flat angles C4'-P-C4' energy: -159.377 flat angles P-C4'-P energy: -113.868 tors. eta vs tors. theta energy: -226.780 Dist. restrs. and SS energy: 0.000 (S_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: 8 Temperature: 0.950000 Total energy: -2659.889244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.889244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.889244 (E_RNA) where: Base-Base interactions energy: -1889.884 where: short stacking energy: -748.998 Base-Backbone interact. energy: -3.402 local terms energy: -766.602409 where: bonds (distance) C4'-P energy: -122.212 bonds (distance) P-C4' energy: -148.106 flat angles C4'-P-C4' energy: -157.761 flat angles P-C4'-P energy: -118.257 tors. eta vs tors. theta energy: -220.266 Dist. restrs. and SS energy: 0.000 (S_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: 8 Temperature: 1.000000 Total energy: -2593.020624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.020624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.020624 (E_RNA) where: Base-Base interactions energy: -1867.495 where: short stacking energy: -747.759 Base-Backbone interact. energy: -0.848 local terms energy: -724.677287 where: bonds (distance) C4'-P energy: -104.786 bonds (distance) P-C4' energy: -154.367 flat angles C4'-P-C4' energy: -145.334 flat angles P-C4'-P energy: -99.020 tors. eta vs tors. theta energy: -221.170 Dist. restrs. and SS energy: 0.000 (S_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: -2581.158808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.158808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.158808 (E_RNA) where: Base-Base interactions energy: -1830.712 where: short stacking energy: -746.172 Base-Backbone interact. energy: -3.767 local terms energy: -746.679524 where: bonds (distance) C4'-P energy: -119.600 bonds (distance) P-C4' energy: -142.939 flat angles C4'-P-C4' energy: -155.218 flat angles P-C4'-P energy: -107.989 tors. eta vs tors. theta energy: -220.933 Dist. restrs. and SS energy: 0.000 (S_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: 8 Temperature: 1.100000 Total energy: -2563.817603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.817603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.817603 (E_RNA) where: Base-Base interactions energy: -1823.583 where: short stacking energy: -722.447 Base-Backbone interact. energy: -2.318 local terms energy: -737.916889 where: bonds (distance) C4'-P energy: -113.144 bonds (distance) P-C4' energy: -151.891 flat angles C4'-P-C4' energy: -149.075 flat angles P-C4'-P energy: -102.635 tors. eta vs tors. theta energy: -221.173 Dist. restrs. and SS energy: 0.000 (S_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: 8 Temperature: 1.150000 Total energy: -2514.096611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.096611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.096611 (E_RNA) where: Base-Base interactions energy: -1769.339 where: short stacking energy: -707.071 Base-Backbone interact. energy: -2.106 local terms energy: -742.651852 where: bonds (distance) C4'-P energy: -119.626 bonds (distance) P-C4' energy: -142.722 flat angles C4'-P-C4' energy: -159.476 flat angles P-C4'-P energy: -113.889 tors. eta vs tors. theta energy: -206.938 Dist. restrs. and SS energy: 0.000 (S_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: 8 Temperature: 1.200000 Total energy: -2480.437563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.437563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.437563 (E_RNA) where: Base-Base interactions energy: -1759.699 where: short stacking energy: -720.309 Base-Backbone interact. energy: -1.588 local terms energy: -719.150793 where: bonds (distance) C4'-P energy: -105.960 bonds (distance) P-C4' energy: -129.040 flat angles C4'-P-C4' energy: -154.646 flat angles P-C4'-P energy: -110.249 tors. eta vs tors. theta energy: -219.256 Dist. restrs. and SS energy: 0.000 (S_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: 8 Temperature: 1.250000 Total energy: -2416.866735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.866735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.866735 (E_RNA) where: Base-Base interactions energy: -1722.342 where: short stacking energy: -695.309 Base-Backbone interact. energy: -0.482 local terms energy: -694.042491 where: bonds (distance) C4'-P energy: -109.650 bonds (distance) P-C4' energy: -131.880 flat angles C4'-P-C4' energy: -153.528 flat angles P-C4'-P energy: -90.747 tors. eta vs tors. theta energy: -208.237 Dist. restrs. and SS energy: 0.000 (S_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: 8 Temperature: 1.300000 Total energy: -2352.065258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.065258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.065258 (E_RNA) where: Base-Base interactions energy: -1675.831 where: short stacking energy: -676.733 Base-Backbone interact. energy: -0.879 local terms energy: -675.355781 where: bonds (distance) C4'-P energy: -107.603 bonds (distance) P-C4' energy: -128.997 flat angles C4'-P-C4' energy: -147.400 flat angles P-C4'-P energy: -88.151 tors. eta vs tors. theta energy: -203.205 Dist. restrs. and SS energy: 0.000 (S_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: 8 Temperature: 1.350000 Total energy: -2173.979581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.979581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.979581 (E_RNA) where: Base-Base interactions energy: -1532.237 where: short stacking energy: -616.495 Base-Backbone interact. energy: -0.664 local terms energy: -641.078417 where: bonds (distance) C4'-P energy: -98.650 bonds (distance) P-C4' energy: -141.259 flat angles C4'-P-C4' energy: -133.668 flat angles P-C4'-P energy: -94.614 tors. eta vs tors. theta energy: -172.888 Dist. restrs. and SS energy: 0.000 (S_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: 9 Temperature: 0.900000 Total energy: -2719.775381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.775381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.775381 (E_RNA) where: Base-Base interactions energy: -1936.074 where: short stacking energy: -775.580 Base-Backbone interact. energy: -1.932 local terms energy: -781.769908 where: bonds (distance) C4'-P energy: -116.150 bonds (distance) P-C4' energy: -157.464 flat angles C4'-P-C4' energy: -164.083 flat angles P-C4'-P energy: -118.830 tors. eta vs tors. theta energy: -225.243 Dist. restrs. and SS energy: 0.000 (S_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: 9 Temperature: 0.950000 Total energy: -2676.075191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.075191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.075191 (E_RNA) where: Base-Base interactions energy: -1903.708 where: short stacking energy: -747.726 Base-Backbone interact. energy: -1.320 local terms energy: -771.048115 where: bonds (distance) C4'-P energy: -129.487 bonds (distance) P-C4' energy: -147.498 flat angles C4'-P-C4' energy: -160.075 flat angles P-C4'-P energy: -109.800 tors. eta vs tors. theta energy: -224.188 Dist. restrs. and SS energy: 0.000 (S_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: 9 Temperature: 1.000000 Total energy: -2585.966764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.966764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.966764 (E_RNA) where: Base-Base interactions energy: -1830.288 where: short stacking energy: -726.038 Base-Backbone interact. energy: -0.658 local terms energy: -755.020880 where: bonds (distance) C4'-P energy: -120.706 bonds (distance) P-C4' energy: -154.181 flat angles C4'-P-C4' energy: -155.535 flat angles P-C4'-P energy: -107.146 tors. eta vs tors. theta energy: -217.453 Dist. restrs. and SS energy: 0.000 (S_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: 9 Temperature: 1.050000 Total energy: -2606.818956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.818956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.818956 (E_RNA) where: Base-Base interactions energy: -1876.734 where: short stacking energy: -750.318 Base-Backbone interact. energy: -3.464 local terms energy: -726.621351 where: bonds (distance) C4'-P energy: -110.128 bonds (distance) P-C4' energy: -141.430 flat angles C4'-P-C4' energy: -156.060 flat angles P-C4'-P energy: -100.559 tors. eta vs tors. theta energy: -218.444 Dist. restrs. and SS energy: 0.000 (S_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: 9 Temperature: 1.100000 Total energy: -2545.910008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.910008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.910008 (E_RNA) where: Base-Base interactions energy: -1815.188 where: short stacking energy: -743.788 Base-Backbone interact. energy: -1.773 local terms energy: -728.948937 where: bonds (distance) C4'-P energy: -116.206 bonds (distance) P-C4' energy: -135.405 flat angles C4'-P-C4' energy: -147.150 flat angles P-C4'-P energy: -109.404 tors. eta vs tors. theta energy: -220.785 Dist. restrs. and SS energy: 0.000 (S_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: 9 Temperature: 1.150000 Total energy: -2540.997654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.997654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.997654 (E_RNA) where: Base-Base interactions energy: -1808.671 where: short stacking energy: -706.978 Base-Backbone interact. energy: -0.851 local terms energy: -731.475288 where: bonds (distance) C4'-P energy: -113.735 bonds (distance) P-C4' energy: -146.002 flat angles C4'-P-C4' energy: -146.841 flat angles P-C4'-P energy: -108.592 tors. eta vs tors. theta energy: -216.306 Dist. restrs. and SS energy: 0.000 (S_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: 9 Temperature: 1.200000 Total energy: -2464.668047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.668047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.668047 (E_RNA) where: Base-Base interactions energy: -1729.305 where: short stacking energy: -691.432 Base-Backbone interact. energy: -1.371 local terms energy: -733.991917 where: bonds (distance) C4'-P energy: -120.908 bonds (distance) P-C4' energy: -150.214 flat angles C4'-P-C4' energy: -156.677 flat angles P-C4'-P energy: -103.702 tors. eta vs tors. theta energy: -202.491 Dist. restrs. and SS energy: 0.000 (S_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: 9 Temperature: 1.250000 Total energy: -2404.058721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.058721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.058721 (E_RNA) where: Base-Base interactions energy: -1698.975 where: short stacking energy: -696.938 Base-Backbone interact. energy: 2.865 local terms energy: -707.949165 where: bonds (distance) C4'-P energy: -100.004 bonds (distance) P-C4' energy: -136.080 flat angles C4'-P-C4' energy: -148.880 flat angles P-C4'-P energy: -108.131 tors. eta vs tors. theta energy: -214.855 Dist. restrs. and SS energy: 0.000 (S_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: 9 Temperature: 1.300000 Total energy: -2358.823897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.823897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.823897 (E_RNA) where: Base-Base interactions energy: -1666.613 where: short stacking energy: -686.227 Base-Backbone interact. energy: -0.074 local terms energy: -692.137224 where: bonds (distance) C4'-P energy: -104.917 bonds (distance) P-C4' energy: -127.769 flat angles C4'-P-C4' energy: -150.747 flat angles P-C4'-P energy: -99.674 tors. eta vs tors. theta energy: -209.030 Dist. restrs. and SS energy: 0.000 (S_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: 9 Temperature: 1.350000 Total energy: -2180.264845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.264845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.264845 (E_RNA) where: Base-Base interactions energy: -1544.936 where: short stacking energy: -622.373 Base-Backbone interact. energy: 0.628 local terms energy: -635.956704 where: bonds (distance) C4'-P energy: -99.018 bonds (distance) P-C4' energy: -129.233 flat angles C4'-P-C4' energy: -144.598 flat angles P-C4'-P energy: -85.803 tors. eta vs tors. theta energy: -177.305 Dist. restrs. and SS energy: 0.000 (S_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: 10 Temperature: 0.900000 Total energy: -2688.575759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.575759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.575759 (E_RNA) where: Base-Base interactions energy: -1923.074 where: short stacking energy: -755.211 Base-Backbone interact. energy: -3.178 local terms energy: -762.323873 where: bonds (distance) C4'-P energy: -118.193 bonds (distance) P-C4' energy: -144.196 flat angles C4'-P-C4' energy: -161.803 flat angles P-C4'-P energy: -113.569 tors. eta vs tors. theta energy: -224.563 Dist. restrs. and SS energy: 0.000 (S_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: 10 Temperature: 0.950000 Total energy: -2649.798132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.798132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.798132 (E_RNA) where: Base-Base interactions energy: -1884.756 where: short stacking energy: -753.060 Base-Backbone interact. energy: 0.026 local terms energy: -765.067518 where: bonds (distance) C4'-P energy: -116.716 bonds (distance) P-C4' energy: -151.515 flat angles C4'-P-C4' energy: -160.437 flat angles P-C4'-P energy: -117.379 tors. eta vs tors. theta energy: -219.020 Dist. restrs. and SS energy: 0.000 (S_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: 10 Temperature: 1.000000 Total energy: -2627.952137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.952137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.952137 (E_RNA) where: Base-Base interactions energy: -1881.182 where: short stacking energy: -736.502 Base-Backbone interact. energy: -1.179 local terms energy: -745.591626 where: bonds (distance) C4'-P energy: -110.519 bonds (distance) P-C4' energy: -147.642 flat angles C4'-P-C4' energy: -158.728 flat angles P-C4'-P energy: -109.414 tors. eta vs tors. theta energy: -219.288 Dist. restrs. and SS energy: 0.000 (S_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: 10 Temperature: 1.050000 Total energy: -2585.954274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.954274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.954274 (E_RNA) where: Base-Base interactions energy: -1841.320 where: short stacking energy: -729.575 Base-Backbone interact. energy: -1.244 local terms energy: -743.390625 where: bonds (distance) C4'-P energy: -112.865 bonds (distance) P-C4' energy: -141.904 flat angles C4'-P-C4' energy: -163.751 flat angles P-C4'-P energy: -103.521 tors. eta vs tors. theta energy: -221.349 Dist. restrs. and SS energy: 0.000 (S_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: 10 Temperature: 1.100000 Total energy: -2563.494178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.494178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.494178 (E_RNA) where: Base-Base interactions energy: -1809.689 where: short stacking energy: -725.883 Base-Backbone interact. energy: -2.119 local terms energy: -751.685315 where: bonds (distance) C4'-P energy: -114.632 bonds (distance) P-C4' energy: -144.792 flat angles C4'-P-C4' energy: -165.615 flat angles P-C4'-P energy: -107.153 tors. eta vs tors. theta energy: -219.494 Dist. restrs. and SS energy: 0.000 (S_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: 10 Temperature: 1.150000 Total energy: -2517.521503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.521503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.521503 (E_RNA) where: Base-Base interactions energy: -1803.995 where: short stacking energy: -721.880 Base-Backbone interact. energy: -2.270 local terms energy: -711.256073 where: bonds (distance) C4'-P energy: -107.361 bonds (distance) P-C4' energy: -129.713 flat angles C4'-P-C4' energy: -156.943 flat angles P-C4'-P energy: -102.017 tors. eta vs tors. theta energy: -215.223 Dist. restrs. and SS energy: 0.000 (S_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: -2466.043922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.043922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.043922 (E_RNA) where: Base-Base interactions energy: -1751.536 where: short stacking energy: -713.651 Base-Backbone interact. energy: 2.046 local terms energy: -716.553905 where: bonds (distance) C4'-P energy: -109.433 bonds (distance) P-C4' energy: -141.278 flat angles C4'-P-C4' energy: -156.526 flat angles P-C4'-P energy: -96.981 tors. eta vs tors. theta energy: -212.335 Dist. restrs. and SS energy: 0.000 (S_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: 10 Temperature: 1.250000 Total energy: -2436.293975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.293975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.293975 (E_RNA) where: Base-Base interactions energy: -1757.949 where: short stacking energy: -702.654 Base-Backbone interact. energy: -2.984 local terms energy: -675.361066 where: bonds (distance) C4'-P energy: -111.983 bonds (distance) P-C4' energy: -125.333 flat angles C4'-P-C4' energy: -145.514 flat angles P-C4'-P energy: -87.736 tors. eta vs tors. theta energy: -204.795 Dist. restrs. and SS energy: 0.000 (S_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: 10 Temperature: 1.300000 Total energy: -2409.088589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.088589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.088589 (E_RNA) where: Base-Base interactions energy: -1741.043 where: short stacking energy: -697.828 Base-Backbone interact. energy: -1.271 local terms energy: -666.774656 where: bonds (distance) C4'-P energy: -99.896 bonds (distance) P-C4' energy: -121.562 flat angles C4'-P-C4' energy: -146.198 flat angles P-C4'-P energy: -91.692 tors. eta vs tors. theta energy: -207.427 Dist. restrs. and SS energy: 0.000 (S_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: 10 Temperature: 1.350000 Total energy: -2188.928281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.928281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.928281 (E_RNA) where: Base-Base interactions energy: -1546.976 where: short stacking energy: -601.907 Base-Backbone interact. energy: 0.215 local terms energy: -642.167786 where: bonds (distance) C4'-P energy: -97.100 bonds (distance) P-C4' energy: -127.664 flat angles C4'-P-C4' energy: -142.482 flat angles P-C4'-P energy: -100.615 tors. eta vs tors. theta energy: -174.306 Dist. restrs. and SS energy: 0.000 (S_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: 11 Temperature: 0.900000 Total energy: -2686.628047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.628047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.628047 (E_RNA) where: Base-Base interactions energy: -1909.411 where: short stacking energy: -758.987 Base-Backbone interact. energy: -0.907 local terms energy: -776.309922 where: bonds (distance) C4'-P energy: -121.554 bonds (distance) P-C4' energy: -156.269 flat angles C4'-P-C4' energy: -164.063 flat angles P-C4'-P energy: -112.088 tors. eta vs tors. theta energy: -222.336 Dist. restrs. and SS energy: 0.000 (S_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: 11 Temperature: 0.950000 Total energy: -2668.010627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.010627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.010627 (E_RNA) where: Base-Base interactions energy: -1898.701 where: short stacking energy: -764.439 Base-Backbone interact. energy: -3.581 local terms energy: -765.728397 where: bonds (distance) C4'-P energy: -121.747 bonds (distance) P-C4' energy: -157.708 flat angles C4'-P-C4' energy: -156.810 flat angles P-C4'-P energy: -107.056 tors. eta vs tors. theta energy: -222.408 Dist. restrs. and SS energy: 0.000 (S_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: 11 Temperature: 1.000000 Total energy: -2629.919592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.919592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.919592 (E_RNA) where: Base-Base interactions energy: -1873.980 where: short stacking energy: -736.933 Base-Backbone interact. energy: 0.378 local terms energy: -756.317128 where: bonds (distance) C4'-P energy: -120.371 bonds (distance) P-C4' energy: -158.484 flat angles C4'-P-C4' energy: -153.260 flat angles P-C4'-P energy: -109.740 tors. eta vs tors. theta energy: -214.462 Dist. restrs. and SS energy: 0.000 (S_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: 11 Temperature: 1.050000 Total energy: -2608.592225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.592225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.592225 (E_RNA) where: Base-Base interactions energy: -1851.746 where: short stacking energy: -737.395 Base-Backbone interact. energy: -3.307 local terms energy: -753.538749 where: bonds (distance) C4'-P energy: -126.793 bonds (distance) P-C4' energy: -142.453 flat angles C4'-P-C4' energy: -150.201 flat angles P-C4'-P energy: -113.388 tors. eta vs tors. theta energy: -220.703 Dist. restrs. and SS energy: 0.000 (S_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: 11 Temperature: 1.100000 Total energy: -2566.663891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.663891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.663891 (E_RNA) where: Base-Base interactions energy: -1827.116 where: short stacking energy: -715.483 Base-Backbone interact. energy: -3.363 local terms energy: -736.185669 where: bonds (distance) C4'-P energy: -113.786 bonds (distance) P-C4' energy: -150.218 flat angles C4'-P-C4' energy: -159.788 flat angles P-C4'-P energy: -106.768 tors. eta vs tors. theta energy: -205.626 Dist. restrs. and SS energy: 0.000 (S_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: 11 Temperature: 1.150000 Total energy: -2509.597728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.597728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.597728 (E_RNA) where: Base-Base interactions energy: -1799.367 where: short stacking energy: -708.007 Base-Backbone interact. energy: -1.824 local terms energy: -708.406187 where: bonds (distance) C4'-P energy: -102.381 bonds (distance) P-C4' energy: -138.525 flat angles C4'-P-C4' energy: -153.998 flat angles P-C4'-P energy: -100.554 tors. eta vs tors. theta energy: -212.948 Dist. restrs. and SS energy: 0.000 (S_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: 11 Temperature: 1.200000 Total energy: -2470.130497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.130497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.130497 (E_RNA) where: Base-Base interactions energy: -1754.029 where: short stacking energy: -701.413 Base-Backbone interact. energy: -3.479 local terms energy: -712.622773 where: bonds (distance) C4'-P energy: -112.619 bonds (distance) P-C4' energy: -140.707 flat angles C4'-P-C4' energy: -151.599 flat angles P-C4'-P energy: -97.541 tors. eta vs tors. theta energy: -210.157 Dist. restrs. and SS energy: 0.000 (S_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: 11 Temperature: 1.250000 Total energy: -2411.654307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.654307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.654307 (E_RNA) where: Base-Base interactions energy: -1712.593 where: short stacking energy: -689.834 Base-Backbone interact. energy: -0.782 local terms energy: -698.279853 where: bonds (distance) C4'-P energy: -111.916 bonds (distance) P-C4' energy: -137.963 flat angles C4'-P-C4' energy: -140.343 flat angles P-C4'-P energy: -105.361 tors. eta vs tors. theta energy: -202.697 Dist. restrs. and SS energy: 0.000 (S_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: 11 Temperature: 1.300000 Total energy: -2374.777031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.777031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.777031 (E_RNA) where: Base-Base interactions energy: -1707.166 where: short stacking energy: -681.421 Base-Backbone interact. energy: -0.931 local terms energy: -666.679316 where: bonds (distance) C4'-P energy: -98.847 bonds (distance) P-C4' energy: -126.582 flat angles C4'-P-C4' energy: -141.446 flat angles P-C4'-P energy: -96.449 tors. eta vs tors. theta energy: -203.356 Dist. restrs. and SS energy: 0.000 (S_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: 11 Temperature: 1.350000 Total energy: -2189.766948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.766948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.766948 (E_RNA) where: Base-Base interactions energy: -1532.055 where: short stacking energy: -625.505 Base-Backbone interact. energy: -1.142 local terms energy: -656.569722 where: bonds (distance) C4'-P energy: -102.584 bonds (distance) P-C4' energy: -135.184 flat angles C4'-P-C4' energy: -137.123 flat angles P-C4'-P energy: -98.305 tors. eta vs tors. theta energy: -183.374 Dist. restrs. and SS energy: 0.000 (S_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: 12 Temperature: 0.900000 Total energy: -2689.908636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.908636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.908636 (E_RNA) where: Base-Base interactions energy: -1910.316 where: short stacking energy: -764.288 Base-Backbone interact. energy: -2.142 local terms energy: -777.451122 where: bonds (distance) C4'-P energy: -121.359 bonds (distance) P-C4' energy: -153.613 flat angles C4'-P-C4' energy: -168.147 flat angles P-C4'-P energy: -108.385 tors. eta vs tors. theta energy: -225.947 Dist. restrs. and SS energy: 0.000 (S_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: 12 Temperature: 0.950000 Total energy: -2652.757447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.757447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.757447 (E_RNA) where: Base-Base interactions energy: -1904.967 where: short stacking energy: -752.454 Base-Backbone interact. energy: -2.096 local terms energy: -745.694412 where: bonds (distance) C4'-P energy: -103.018 bonds (distance) P-C4' energy: -157.119 flat angles C4'-P-C4' energy: -159.183 flat angles P-C4'-P energy: -102.054 tors. eta vs tors. theta energy: -224.321 Dist. restrs. and SS energy: 0.000 (S_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: 12 Temperature: 1.000000 Total energy: -2619.546801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.546801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.546801 (E_RNA) where: Base-Base interactions energy: -1885.202 where: short stacking energy: -743.969 Base-Backbone interact. energy: -3.029 local terms energy: -731.316219 where: bonds (distance) C4'-P energy: -110.538 bonds (distance) P-C4' energy: -149.695 flat angles C4'-P-C4' energy: -149.162 flat angles P-C4'-P energy: -112.814 tors. eta vs tors. theta energy: -209.107 Dist. restrs. and SS energy: 0.000 (S_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: -2615.909665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.909665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.909665 (E_RNA) where: Base-Base interactions energy: -1845.783 where: short stacking energy: -736.544 Base-Backbone interact. energy: -1.488 local terms energy: -768.638672 where: bonds (distance) C4'-P energy: -131.052 bonds (distance) P-C4' energy: -144.093 flat angles C4'-P-C4' energy: -164.261 flat angles P-C4'-P energy: -102.453 tors. eta vs tors. theta energy: -226.780 Dist. restrs. and SS energy: 0.000 (S_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: 12 Temperature: 1.100000 Total energy: -2538.568304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.568304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.568304 (E_RNA) where: Base-Base interactions energy: -1813.950 where: short stacking energy: -719.831 Base-Backbone interact. energy: -0.324 local terms energy: -724.293942 where: bonds (distance) C4'-P energy: -110.505 bonds (distance) P-C4' energy: -138.680 flat angles C4'-P-C4' energy: -158.671 flat angles P-C4'-P energy: -104.838 tors. eta vs tors. theta energy: -211.601 Dist. restrs. and SS energy: 0.000 (S_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: 12 Temperature: 1.150000 Total energy: -2558.275876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.275876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.275876 (E_RNA) where: Base-Base interactions energy: -1830.682 where: short stacking energy: -733.792 Base-Backbone interact. energy: 0.880 local terms energy: -728.473491 where: bonds (distance) C4'-P energy: -111.140 bonds (distance) P-C4' energy: -150.955 flat angles C4'-P-C4' energy: -153.796 flat angles P-C4'-P energy: -96.385 tors. eta vs tors. theta energy: -216.198 Dist. restrs. and SS energy: 0.000 (S_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: 12 Temperature: 1.200000 Total energy: -2480.712272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.712272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.712272 (E_RNA) where: Base-Base interactions energy: -1759.793 where: short stacking energy: -694.101 Base-Backbone interact. energy: -1.827 local terms energy: -719.092538 where: bonds (distance) C4'-P energy: -108.881 bonds (distance) P-C4' energy: -145.570 flat angles C4'-P-C4' energy: -146.971 flat angles P-C4'-P energy: -102.050 tors. eta vs tors. theta energy: -215.621 Dist. restrs. and SS energy: 0.000 (S_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: 12 Temperature: 1.250000 Total energy: -2360.307869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.307869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.307869 (E_RNA) where: Base-Base interactions energy: -1698.006 where: short stacking energy: -680.777 Base-Backbone interact. energy: 2.723 local terms energy: -665.024325 where: bonds (distance) C4'-P energy: -90.291 bonds (distance) P-C4' energy: -134.029 flat angles C4'-P-C4' energy: -149.342 flat angles P-C4'-P energy: -91.836 tors. eta vs tors. theta energy: -199.526 Dist. restrs. and SS energy: 0.000 (S_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: 12 Temperature: 1.300000 Total energy: -2380.686335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.686335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.686335 (E_RNA) where: Base-Base interactions energy: -1677.277 where: short stacking energy: -674.546 Base-Backbone interact. energy: -0.034 local terms energy: -703.375522 where: bonds (distance) C4'-P energy: -105.640 bonds (distance) P-C4' energy: -157.042 flat angles C4'-P-C4' energy: -151.462 flat angles P-C4'-P energy: -95.744 tors. eta vs tors. theta energy: -193.488 Dist. restrs. and SS energy: 0.000 (S_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: 12 Temperature: 1.350000 Total energy: -2168.673082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.673082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.673082 (E_RNA) where: Base-Base interactions energy: -1502.786 where: short stacking energy: -596.973 Base-Backbone interact. energy: -1.764 local terms energy: -664.122666 where: bonds (distance) C4'-P energy: -103.627 bonds (distance) P-C4' energy: -147.482 flat angles C4'-P-C4' energy: -142.172 flat angles P-C4'-P energy: -90.100 tors. eta vs tors. theta energy: -180.742 Dist. restrs. and SS energy: 0.000 (S_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: 13 Temperature: 0.900000 Total energy: -2687.774032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.774032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.774032 (E_RNA) where: Base-Base interactions energy: -1899.941 where: short stacking energy: -761.221 Base-Backbone interact. energy: -0.353 local terms energy: -787.480145 where: bonds (distance) C4'-P energy: -131.490 bonds (distance) P-C4' energy: -163.953 flat angles C4'-P-C4' energy: -161.652 flat angles P-C4'-P energy: -107.580 tors. eta vs tors. theta energy: -222.806 Dist. restrs. and SS energy: 0.000 (S_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: 13 Temperature: 0.950000 Total energy: -2660.102705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.102705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.102705 (E_RNA) where: Base-Base interactions energy: -1909.329 where: short stacking energy: -748.115 Base-Backbone interact. energy: -1.934 local terms energy: -748.840096 where: bonds (distance) C4'-P energy: -127.356 bonds (distance) P-C4' energy: -144.518 flat angles C4'-P-C4' energy: -151.362 flat angles P-C4'-P energy: -111.104 tors. eta vs tors. theta energy: -214.501 Dist. restrs. and SS energy: 0.000 (S_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: 13 Temperature: 1.000000 Total energy: -2665.049208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.049208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.049208 (E_RNA) where: Base-Base interactions energy: -1900.619 where: short stacking energy: -753.882 Base-Backbone interact. energy: -2.188 local terms energy: -762.241989 where: bonds (distance) C4'-P energy: -108.813 bonds (distance) P-C4' energy: -158.088 flat angles C4'-P-C4' energy: -156.155 flat angles P-C4'-P energy: -115.823 tors. eta vs tors. theta energy: -223.362 Dist. restrs. and SS energy: 0.000 (S_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: 13 Temperature: 1.050000 Total energy: -2588.057021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.057021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.057021 (E_RNA) where: Base-Base interactions energy: -1837.767 where: short stacking energy: -739.514 Base-Backbone interact. energy: -1.562 local terms energy: -748.727830 where: bonds (distance) C4'-P energy: -114.521 bonds (distance) P-C4' energy: -147.777 flat angles C4'-P-C4' energy: -149.692 flat angles P-C4'-P energy: -111.265 tors. eta vs tors. theta energy: -225.472 Dist. restrs. and SS energy: 0.000 (S_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: -2555.832970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.832970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.832970 (E_RNA) where: Base-Base interactions energy: -1829.515 where: short stacking energy: -719.775 Base-Backbone interact. energy: 1.862 local terms energy: -728.179630 where: bonds (distance) C4'-P energy: -107.931 bonds (distance) P-C4' energy: -150.509 flat angles C4'-P-C4' energy: -154.992 flat angles P-C4'-P energy: -102.418 tors. eta vs tors. theta energy: -212.329 Dist. restrs. and SS energy: 0.000 (S_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: 13 Temperature: 1.150000 Total energy: -2566.748325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.748325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.748325 (E_RNA) where: Base-Base interactions energy: -1840.518 where: short stacking energy: -722.615 Base-Backbone interact. energy: -1.311 local terms energy: -724.919400 where: bonds (distance) C4'-P energy: -107.612 bonds (distance) P-C4' energy: -149.852 flat angles C4'-P-C4' energy: -153.656 flat angles P-C4'-P energy: -93.963 tors. eta vs tors. theta energy: -219.836 Dist. restrs. and SS energy: 0.000 (S_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: 13 Temperature: 1.200000 Total energy: -2449.925215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.925215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.925215 (E_RNA) where: Base-Base interactions energy: -1739.304 where: short stacking energy: -685.019 Base-Backbone interact. energy: -1.643 local terms energy: -708.978475 where: bonds (distance) C4'-P energy: -118.756 bonds (distance) P-C4' energy: -145.266 flat angles C4'-P-C4' energy: -150.778 flat angles P-C4'-P energy: -89.421 tors. eta vs tors. theta energy: -204.758 Dist. restrs. and SS energy: 0.000 (S_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: 13 Temperature: 1.250000 Total energy: -2371.937360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.937360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.937360 (E_RNA) where: Base-Base interactions energy: -1668.242 where: short stacking energy: -686.015 Base-Backbone interact. energy: 1.777 local terms energy: -705.472558 where: bonds (distance) C4'-P energy: -118.285 bonds (distance) P-C4' energy: -152.876 flat angles C4'-P-C4' energy: -141.822 flat angles P-C4'-P energy: -91.002 tors. eta vs tors. theta energy: -201.487 Dist. restrs. and SS energy: 0.000 (S_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: 13 Temperature: 1.300000 Total energy: -2339.373079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.373079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.373079 (E_RNA) where: Base-Base interactions energy: -1660.492 where: short stacking energy: -656.078 Base-Backbone interact. energy: 1.608 local terms energy: -680.488921 where: bonds (distance) C4'-P energy: -97.621 bonds (distance) P-C4' energy: -148.769 flat angles C4'-P-C4' energy: -147.111 flat angles P-C4'-P energy: -93.442 tors. eta vs tors. theta energy: -193.546 Dist. restrs. and SS energy: 0.000 (S_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: 13 Temperature: 1.350000 Total energy: -2200.185862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.185862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.185862 (E_RNA) where: Base-Base interactions energy: -1561.516 where: short stacking energy: -629.884 Base-Backbone interact. energy: -2.119 local terms energy: -636.551133 where: bonds (distance) C4'-P energy: -109.012 bonds (distance) P-C4' energy: -116.066 flat angles C4'-P-C4' energy: -138.721 flat angles P-C4'-P energy: -89.595 tors. eta vs tors. theta energy: -183.157 Dist. restrs. and SS energy: 0.000 (S_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: 14 Temperature: 0.900000 Total energy: -2692.369563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.369563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.369563 (E_RNA) where: Base-Base interactions energy: -1927.783 where: short stacking energy: -755.832 Base-Backbone interact. energy: -0.881 local terms energy: -763.705914 where: bonds (distance) C4'-P energy: -117.100 bonds (distance) P-C4' energy: -152.584 flat angles C4'-P-C4' energy: -161.222 flat angles P-C4'-P energy: -109.381 tors. eta vs tors. theta energy: -223.419 Dist. restrs. and SS energy: 0.000 (S_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: 14 Temperature: 0.950000 Total energy: -2678.258314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.258314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.258314 (E_RNA) where: Base-Base interactions energy: -1911.075 where: short stacking energy: -752.218 Base-Backbone interact. energy: 0.286 local terms energy: -767.469074 where: bonds (distance) C4'-P energy: -117.573 bonds (distance) P-C4' energy: -162.839 flat angles C4'-P-C4' energy: -163.147 flat angles P-C4'-P energy: -103.892 tors. eta vs tors. theta energy: -220.017 Dist. restrs. and SS energy: 0.000 (S_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: 14 Temperature: 1.000000 Total energy: -2630.028392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.028392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.028392 (E_RNA) where: Base-Base interactions energy: -1887.988 where: short stacking energy: -734.495 Base-Backbone interact. energy: -1.843 local terms energy: -740.197597 where: bonds (distance) C4'-P energy: -118.006 bonds (distance) P-C4' energy: -141.551 flat angles C4'-P-C4' energy: -159.452 flat angles P-C4'-P energy: -98.135 tors. eta vs tors. theta energy: -223.054 Dist. restrs. and SS energy: 0.000 (S_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: 14 Temperature: 1.050000 Total energy: -2566.429171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.429171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.429171 (E_RNA) where: Base-Base interactions energy: -1816.017 where: short stacking energy: -731.917 Base-Backbone interact. energy: -2.892 local terms energy: -747.520314 where: bonds (distance) C4'-P energy: -128.185 bonds (distance) P-C4' energy: -147.959 flat angles C4'-P-C4' energy: -155.902 flat angles P-C4'-P energy: -101.556 tors. eta vs tors. theta energy: -213.919 Dist. restrs. and SS energy: 0.000 (S_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: 14 Temperature: 1.100000 Total energy: -2560.304978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.304978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.304978 (E_RNA) where: Base-Base interactions energy: -1846.534 where: short stacking energy: -743.843 Base-Backbone interact. energy: -0.466 local terms energy: -713.304821 where: bonds (distance) C4'-P energy: -115.455 bonds (distance) P-C4' energy: -128.817 flat angles C4'-P-C4' energy: -141.577 flat angles P-C4'-P energy: -100.122 tors. eta vs tors. theta energy: -227.334 Dist. restrs. and SS energy: 0.000 (S_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: 14 Temperature: 1.150000 Total energy: -2530.707494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.707494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.707494 (E_RNA) where: Base-Base interactions energy: -1801.431 where: short stacking energy: -698.877 Base-Backbone interact. energy: -1.574 local terms energy: -727.702210 where: bonds (distance) C4'-P energy: -118.422 bonds (distance) P-C4' energy: -143.010 flat angles C4'-P-C4' energy: -142.534 flat angles P-C4'-P energy: -109.671 tors. eta vs tors. theta energy: -214.065 Dist. restrs. and SS energy: 0.000 (S_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: 14 Temperature: 1.200000 Total energy: -2426.948335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.948335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.948335 (E_RNA) where: Base-Base interactions energy: -1700.322 where: short stacking energy: -667.434 Base-Backbone interact. energy: -1.980 local terms energy: -724.646706 where: bonds (distance) C4'-P energy: -113.042 bonds (distance) P-C4' energy: -150.795 flat angles C4'-P-C4' energy: -156.545 flat angles P-C4'-P energy: -106.233 tors. eta vs tors. theta energy: -198.031 Dist. restrs. and SS energy: 0.000 (S_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: 14 Temperature: 1.250000 Total energy: -2392.076340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.076340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.076340 (E_RNA) where: Base-Base interactions energy: -1698.353 where: short stacking energy: -683.293 Base-Backbone interact. energy: 1.547 local terms energy: -695.269537 where: bonds (distance) C4'-P energy: -112.976 bonds (distance) P-C4' energy: -137.885 flat angles C4'-P-C4' energy: -151.958 flat angles P-C4'-P energy: -89.857 tors. eta vs tors. theta energy: -202.594 Dist. restrs. and SS energy: 0.000 (S_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: 14 Temperature: 1.300000 Total energy: -2399.343952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.343952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.343952 (E_RNA) where: Base-Base interactions energy: -1718.255 where: short stacking energy: -692.443 Base-Backbone interact. energy: -1.422 local terms energy: -679.667692 where: bonds (distance) C4'-P energy: -105.804 bonds (distance) P-C4' energy: -127.724 flat angles C4'-P-C4' energy: -143.551 flat angles P-C4'-P energy: -88.767 tors. eta vs tors. theta energy: -213.821 Dist. restrs. and SS energy: 0.000 (S_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: 14 Temperature: 1.350000 Total energy: -2189.616555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.616555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.616555 (E_RNA) where: Base-Base interactions energy: -1549.061 where: short stacking energy: -636.202 Base-Backbone interact. energy: 0.010 local terms energy: -640.565083 where: bonds (distance) C4'-P energy: -86.657 bonds (distance) P-C4' energy: -137.877 flat angles C4'-P-C4' energy: -148.975 flat angles P-C4'-P energy: -83.340 tors. eta vs tors. theta energy: -183.716 Dist. restrs. and SS energy: 0.000 (S_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: 15 Temperature: 0.900000 Total energy: -2697.321504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.321504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.321504 (E_RNA) where: Base-Base interactions energy: -1922.874 where: short stacking energy: -765.302 Base-Backbone interact. energy: 0.420 local terms energy: -774.867534 where: bonds (distance) C4'-P energy: -126.305 bonds (distance) P-C4' energy: -150.400 flat angles C4'-P-C4' energy: -163.413 flat angles P-C4'-P energy: -106.279 tors. eta vs tors. theta energy: -228.471 Dist. restrs. and SS energy: 0.000 (S_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: 15 Temperature: 0.950000 Total energy: -2665.093167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.093167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.093167 (E_RNA) where: Base-Base interactions energy: -1905.776 where: short stacking energy: -755.751 Base-Backbone interact. energy: -1.793 local terms energy: -757.524243 where: bonds (distance) C4'-P energy: -116.814 bonds (distance) P-C4' energy: -139.914 flat angles C4'-P-C4' energy: -164.414 flat angles P-C4'-P energy: -113.678 tors. eta vs tors. theta energy: -222.705 Dist. restrs. and SS energy: 0.000 (S_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: 15 Temperature: 1.000000 Total energy: -2626.299935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.299935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.299935 (E_RNA) where: Base-Base interactions energy: -1877.221 where: short stacking energy: -736.497 Base-Backbone interact. energy: -2.128 local terms energy: -746.950972 where: bonds (distance) C4'-P energy: -115.502 bonds (distance) P-C4' energy: -146.242 flat angles C4'-P-C4' energy: -156.963 flat angles P-C4'-P energy: -108.207 tors. eta vs tors. theta energy: -220.036 Dist. restrs. and SS energy: 0.000 (S_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: 15 Temperature: 1.050000 Total energy: -2588.014302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.014302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.014302 (E_RNA) where: Base-Base interactions energy: -1835.744 where: short stacking energy: -725.685 Base-Backbone interact. energy: -3.207 local terms energy: -749.062696 where: bonds (distance) C4'-P energy: -119.179 bonds (distance) P-C4' energy: -143.811 flat angles C4'-P-C4' energy: -157.807 flat angles P-C4'-P energy: -108.969 tors. eta vs tors. theta energy: -219.296 Dist. restrs. and SS energy: 0.000 (S_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: 15 Temperature: 1.100000 Total energy: -2585.066565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.066565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.066565 (E_RNA) where: Base-Base interactions energy: -1850.471 where: short stacking energy: -742.054 Base-Backbone interact. energy: -2.277 local terms energy: -732.318712 where: bonds (distance) C4'-P energy: -111.115 bonds (distance) P-C4' energy: -141.124 flat angles C4'-P-C4' energy: -149.568 flat angles P-C4'-P energy: -109.625 tors. eta vs tors. theta energy: -220.886 Dist. restrs. and SS energy: 0.000 (S_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: -2534.946515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.946515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.946515 (E_RNA) where: Base-Base interactions energy: -1830.851 where: short stacking energy: -708.207 Base-Backbone interact. energy: 0.069 local terms energy: -704.164592 where: bonds (distance) C4'-P energy: -110.002 bonds (distance) P-C4' energy: -135.726 flat angles C4'-P-C4' energy: -148.178 flat angles P-C4'-P energy: -98.300 tors. eta vs tors. theta energy: -211.958 Dist. restrs. and SS energy: 0.000 (S_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: 15 Temperature: 1.200000 Total energy: -2419.348706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.348706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.348706 (E_RNA) where: Base-Base interactions energy: -1708.022 where: short stacking energy: -689.944 Base-Backbone interact. energy: -0.919 local terms energy: -710.407817 where: bonds (distance) C4'-P energy: -105.561 bonds (distance) P-C4' energy: -132.012 flat angles C4'-P-C4' energy: -151.193 flat angles P-C4'-P energy: -111.495 tors. eta vs tors. theta energy: -210.148 Dist. restrs. and SS energy: 0.000 (S_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: 15 Temperature: 1.250000 Total energy: -2415.146470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.146470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.146470 (E_RNA) where: Base-Base interactions energy: -1715.825 where: short stacking energy: -689.725 Base-Backbone interact. energy: -3.983 local terms energy: -695.338593 where: bonds (distance) C4'-P energy: -103.789 bonds (distance) P-C4' energy: -135.519 flat angles C4'-P-C4' energy: -147.912 flat angles P-C4'-P energy: -103.229 tors. eta vs tors. theta energy: -204.890 Dist. restrs. and SS energy: 0.000 (S_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: 15 Temperature: 1.300000 Total energy: -2403.075420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.075420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.075420 (E_RNA) where: Base-Base interactions energy: -1725.735 where: short stacking energy: -668.607 Base-Backbone interact. energy: -2.024 local terms energy: -675.316596 where: bonds (distance) C4'-P energy: -93.444 bonds (distance) P-C4' energy: -143.431 flat angles C4'-P-C4' energy: -150.764 flat angles P-C4'-P energy: -96.765 tors. eta vs tors. theta energy: -190.914 Dist. restrs. and SS energy: 0.000 (S_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: 15 Temperature: 1.350000 Total energy: -2179.969064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.969064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.969064 (E_RNA) where: Base-Base interactions energy: -1531.749 where: short stacking energy: -628.052 Base-Backbone interact. energy: -1.545 local terms energy: -646.675535 where: bonds (distance) C4'-P energy: -107.570 bonds (distance) P-C4' energy: -128.012 flat angles C4'-P-C4' energy: -139.267 flat angles P-C4'-P energy: -92.125 tors. eta vs tors. theta energy: -179.702 Dist. restrs. and SS energy: 0.000 (S_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: 16 Temperature: 0.900000 Total energy: -2689.611044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.611044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.611044 (E_RNA) where: Base-Base interactions energy: -1904.704 where: short stacking energy: -755.094 Base-Backbone interact. energy: -0.550 local terms energy: -784.357317 where: bonds (distance) C4'-P energy: -119.507 bonds (distance) P-C4' energy: -151.068 flat angles C4'-P-C4' energy: -165.053 flat angles P-C4'-P energy: -119.396 tors. eta vs tors. theta energy: -229.333 Dist. restrs. and SS energy: 0.000 (S_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: 16 Temperature: 0.950000 Total energy: -2656.313854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.313854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.313854 (E_RNA) where: Base-Base interactions energy: -1895.373 where: short stacking energy: -733.142 Base-Backbone interact. energy: -2.485 local terms energy: -758.455906 where: bonds (distance) C4'-P energy: -113.849 bonds (distance) P-C4' energy: -150.829 flat angles C4'-P-C4' energy: -158.230 flat angles P-C4'-P energy: -114.014 tors. eta vs tors. theta energy: -221.534 Dist. restrs. and SS energy: 0.000 (S_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: 16 Temperature: 1.000000 Total energy: -2602.294330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.294330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.294330 (E_RNA) where: Base-Base interactions energy: -1844.932 where: short stacking energy: -747.161 Base-Backbone interact. energy: -0.344 local terms energy: -757.018312 where: bonds (distance) C4'-P energy: -114.227 bonds (distance) P-C4' energy: -146.016 flat angles C4'-P-C4' energy: -161.587 flat angles P-C4'-P energy: -113.563 tors. eta vs tors. theta energy: -221.625 Dist. restrs. and SS energy: 0.000 (S_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: 16 Temperature: 1.050000 Total energy: -2616.068843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.068843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.068843 (E_RNA) where: Base-Base interactions energy: -1867.588 where: short stacking energy: -742.703 Base-Backbone interact. energy: -2.625 local terms energy: -745.856011 where: bonds (distance) C4'-P energy: -119.425 bonds (distance) P-C4' energy: -137.439 flat angles C4'-P-C4' energy: -161.530 flat angles P-C4'-P energy: -107.070 tors. eta vs tors. theta energy: -220.391 Dist. restrs. and SS energy: 0.000 (S_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: 16 Temperature: 1.100000 Total energy: -2563.234007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.234007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.234007 (E_RNA) where: Base-Base interactions energy: -1826.073 where: short stacking energy: -736.720 Base-Backbone interact. energy: -4.245 local terms energy: -732.916533 where: bonds (distance) C4'-P energy: -121.721 bonds (distance) P-C4' energy: -135.076 flat angles C4'-P-C4' energy: -153.174 flat angles P-C4'-P energy: -100.270 tors. eta vs tors. theta energy: -222.675 Dist. restrs. and SS energy: 0.000 (S_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: 16 Temperature: 1.150000 Total energy: -2517.166171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.166171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.166171 (E_RNA) where: Base-Base interactions energy: -1802.035 where: short stacking energy: -718.671 Base-Backbone interact. energy: -1.634 local terms energy: -713.496871 where: bonds (distance) C4'-P energy: -119.523 bonds (distance) P-C4' energy: -134.153 flat angles C4'-P-C4' energy: -148.737 flat angles P-C4'-P energy: -100.129 tors. eta vs tors. theta energy: -210.954 Dist. restrs. and SS energy: 0.000 (S_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: 16 Temperature: 1.200000 Total energy: -2442.363278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.363278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.363278 (E_RNA) where: Base-Base interactions energy: -1724.376 where: short stacking energy: -695.008 Base-Backbone interact. energy: -0.962 local terms energy: -717.024387 where: bonds (distance) C4'-P energy: -113.949 bonds (distance) P-C4' energy: -137.416 flat angles C4'-P-C4' energy: -154.454 flat angles P-C4'-P energy: -106.247 tors. eta vs tors. theta energy: -204.959 Dist. restrs. and SS energy: 0.000 (S_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: 16 Temperature: 1.250000 Total energy: -2374.230469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.230469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.230469 (E_RNA) where: Base-Base interactions energy: -1703.137 where: short stacking energy: -702.229 Base-Backbone interact. energy: -0.944 local terms energy: -670.148742 where: bonds (distance) C4'-P energy: -99.771 bonds (distance) P-C4' energy: -125.589 flat angles C4'-P-C4' energy: -140.978 flat angles P-C4'-P energy: -92.985 tors. eta vs tors. theta energy: -210.825 Dist. restrs. and SS energy: 0.000 (S_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: 16 Temperature: 1.300000 Total energy: -2429.627691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.627691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.627691 (E_RNA) where: Base-Base interactions energy: -1738.766 where: short stacking energy: -694.220 Base-Backbone interact. energy: -1.899 local terms energy: -688.963019 where: bonds (distance) C4'-P energy: -110.945 bonds (distance) P-C4' energy: -135.626 flat angles C4'-P-C4' energy: -143.389 flat angles P-C4'-P energy: -84.046 tors. eta vs tors. theta energy: -214.958 Dist. restrs. and SS energy: 0.000 (S_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: 16 Temperature: 1.350000 Total energy: -2201.652526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.652526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.652526 (E_RNA) where: Base-Base interactions energy: -1550.038 where: short stacking energy: -636.769 Base-Backbone interact. energy: -2.366 local terms energy: -649.248737 where: bonds (distance) C4'-P energy: -100.823 bonds (distance) P-C4' energy: -129.969 flat angles C4'-P-C4' energy: -144.388 flat angles P-C4'-P energy: -89.917 tors. eta vs tors. theta energy: -184.152 Dist. restrs. and SS energy: 0.000 (S_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: 17 Temperature: 0.900000 Total energy: -2688.981375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.981375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.981375 (E_RNA) where: Base-Base interactions energy: -1918.482 where: short stacking energy: -754.932 Base-Backbone interact. energy: 0.089 local terms energy: -770.588109 where: bonds (distance) C4'-P energy: -124.990 bonds (distance) P-C4' energy: -153.648 flat angles C4'-P-C4' energy: -163.043 flat angles P-C4'-P energy: -104.400 tors. eta vs tors. theta energy: -224.507 Dist. restrs. and SS energy: 0.000 (S_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: -2667.880686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.880686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.880686 (E_RNA) where: Base-Base interactions energy: -1909.811 where: short stacking energy: -743.997 Base-Backbone interact. energy: -1.823 local terms energy: -756.246831 where: bonds (distance) C4'-P energy: -128.704 bonds (distance) P-C4' energy: -144.292 flat angles C4'-P-C4' energy: -159.085 flat angles P-C4'-P energy: -109.858 tors. eta vs tors. theta energy: -214.308 Dist. restrs. and SS energy: 0.000 (S_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: 17 Temperature: 1.000000 Total energy: -2608.817384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.817384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.817384 (E_RNA) where: Base-Base interactions energy: -1849.879 where: short stacking energy: -733.021 Base-Backbone interact. energy: -4.150 local terms energy: -754.787678 where: bonds (distance) C4'-P energy: -121.712 bonds (distance) P-C4' energy: -143.660 flat angles C4'-P-C4' energy: -162.464 flat angles P-C4'-P energy: -105.341 tors. eta vs tors. theta energy: -221.610 Dist. restrs. and SS energy: 0.000 (S_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: 17 Temperature: 1.050000 Total energy: -2630.281268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.281268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.281268 (E_RNA) where: Base-Base interactions energy: -1874.912 where: short stacking energy: -747.034 Base-Backbone interact. energy: -1.304 local terms energy: -754.065004 where: bonds (distance) C4'-P energy: -118.980 bonds (distance) P-C4' energy: -154.593 flat angles C4'-P-C4' energy: -148.911 flat angles P-C4'-P energy: -105.149 tors. eta vs tors. theta energy: -226.432 Dist. restrs. and SS energy: 0.000 (S_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: 17 Temperature: 1.100000 Total energy: -2557.078900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.078900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.078900 (E_RNA) where: Base-Base interactions energy: -1820.995 where: short stacking energy: -724.506 Base-Backbone interact. energy: -1.650 local terms energy: -734.434255 where: bonds (distance) C4'-P energy: -118.978 bonds (distance) P-C4' energy: -137.736 flat angles C4'-P-C4' energy: -143.799 flat angles P-C4'-P energy: -107.102 tors. eta vs tors. theta energy: -226.820 Dist. restrs. and SS energy: 0.000 (S_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: 17 Temperature: 1.150000 Total energy: -2500.415246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.415246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.415246 (E_RNA) where: Base-Base interactions energy: -1769.359 where: short stacking energy: -715.168 Base-Backbone interact. energy: -1.548 local terms energy: -729.507829 where: bonds (distance) C4'-P energy: -114.591 bonds (distance) P-C4' energy: -141.530 flat angles C4'-P-C4' energy: -154.845 flat angles P-C4'-P energy: -108.000 tors. eta vs tors. theta energy: -210.542 Dist. restrs. and SS energy: 0.000 (S_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: 17 Temperature: 1.200000 Total energy: -2385.782099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.782099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.782099 (E_RNA) where: Base-Base interactions energy: -1673.338 where: short stacking energy: -682.946 Base-Backbone interact. energy: -1.394 local terms energy: -711.050038 where: bonds (distance) C4'-P energy: -108.774 bonds (distance) P-C4' energy: -154.084 flat angles C4'-P-C4' energy: -148.239 flat angles P-C4'-P energy: -96.435 tors. eta vs tors. theta energy: -203.518 Dist. restrs. and SS energy: 0.000 (S_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: 17 Temperature: 1.250000 Total energy: -2406.462106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.462106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.462106 (E_RNA) where: Base-Base interactions energy: -1705.217 where: short stacking energy: -679.917 Base-Backbone interact. energy: -2.792 local terms energy: -698.452922 where: bonds (distance) C4'-P energy: -109.588 bonds (distance) P-C4' energy: -145.197 flat angles C4'-P-C4' energy: -146.816 flat angles P-C4'-P energy: -88.581 tors. eta vs tors. theta energy: -208.270 Dist. restrs. and SS energy: 0.000 (S_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: 17 Temperature: 1.300000 Total energy: -2370.008959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.008959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.008959 (E_RNA) where: Base-Base interactions energy: -1674.031 where: short stacking energy: -663.556 Base-Backbone interact. energy: 0.768 local terms energy: -696.745295 where: bonds (distance) C4'-P energy: -113.719 bonds (distance) P-C4' energy: -147.006 flat angles C4'-P-C4' energy: -148.756 flat angles P-C4'-P energy: -94.559 tors. eta vs tors. theta energy: -192.705 Dist. restrs. and SS energy: 0.000 (S_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: 17 Temperature: 1.350000 Total energy: -2182.537267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.537267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.537267 (E_RNA) where: Base-Base interactions energy: -1540.843 where: short stacking energy: -648.158 Base-Backbone interact. energy: -2.283 local terms energy: -639.411598 where: bonds (distance) C4'-P energy: -103.106 bonds (distance) P-C4' energy: -119.530 flat angles C4'-P-C4' energy: -137.286 flat angles P-C4'-P energy: -92.934 tors. eta vs tors. theta energy: -186.556 Dist. restrs. and SS energy: 0.000 (S_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: 18 Temperature: 0.900000 Total energy: -2692.172151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.172151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.172151 (E_RNA) where: Base-Base interactions energy: -1919.748 where: short stacking energy: -758.722 Base-Backbone interact. energy: -1.951 local terms energy: -770.473105 where: bonds (distance) C4'-P energy: -123.959 bonds (distance) P-C4' energy: -158.966 flat angles C4'-P-C4' energy: -156.906 flat angles P-C4'-P energy: -111.071 tors. eta vs tors. theta energy: -219.571 Dist. restrs. and SS energy: 0.000 (S_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: 18 Temperature: 0.950000 Total energy: -2661.800658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.800658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.800658 (E_RNA) where: Base-Base interactions energy: -1889.685 where: short stacking energy: -755.359 Base-Backbone interact. energy: -1.644 local terms energy: -770.471737 where: bonds (distance) C4'-P energy: -115.829 bonds (distance) P-C4' energy: -154.935 flat angles C4'-P-C4' energy: -164.192 flat angles P-C4'-P energy: -109.231 tors. eta vs tors. theta energy: -226.284 Dist. restrs. and SS energy: 0.000 (S_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: 18 Temperature: 1.000000 Total energy: -2632.371769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.371769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.371769 (E_RNA) where: Base-Base interactions energy: -1890.829 where: short stacking energy: -757.602 Base-Backbone interact. energy: 3.632 local terms energy: -745.174739 where: bonds (distance) C4'-P energy: -111.644 bonds (distance) P-C4' energy: -144.061 flat angles C4'-P-C4' energy: -161.191 flat angles P-C4'-P energy: -105.200 tors. eta vs tors. theta energy: -223.079 Dist. restrs. and SS energy: 0.000 (S_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: 18 Temperature: 1.050000 Total energy: -2609.120046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.120046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.120046 (E_RNA) where: Base-Base interactions energy: -1866.843 where: short stacking energy: -743.290 Base-Backbone interact. energy: -0.634 local terms energy: -741.643694 where: bonds (distance) C4'-P energy: -112.150 bonds (distance) P-C4' energy: -135.513 flat angles C4'-P-C4' energy: -160.330 flat angles P-C4'-P energy: -108.902 tors. eta vs tors. theta energy: -224.749 Dist. restrs. and SS energy: 0.000 (S_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: 18 Temperature: 1.100000 Total energy: -2561.594466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.594466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.594466 (E_RNA) where: Base-Base interactions energy: -1824.299 where: short stacking energy: -740.421 Base-Backbone interact. energy: 0.645 local terms energy: -737.940132 where: bonds (distance) C4'-P energy: -117.482 bonds (distance) P-C4' energy: -144.655 flat angles C4'-P-C4' energy: -147.077 flat angles P-C4'-P energy: -112.309 tors. eta vs tors. theta energy: -216.418 Dist. restrs. and SS energy: 0.000 (S_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: 18 Temperature: 1.150000 Total energy: -2520.813903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.813903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.813903 (E_RNA) where: Base-Base interactions energy: -1794.893 where: short stacking energy: -719.402 Base-Backbone interact. energy: -2.994 local terms energy: -722.926831 where: bonds (distance) C4'-P energy: -108.564 bonds (distance) P-C4' energy: -129.837 flat angles C4'-P-C4' energy: -152.267 flat angles P-C4'-P energy: -109.677 tors. eta vs tors. theta energy: -222.581 Dist. restrs. and SS energy: 0.000 (S_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: 18 Temperature: 1.200000 Total energy: -2449.232908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.232908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.232908 (E_RNA) where: Base-Base interactions energy: -1734.726 where: short stacking energy: -693.158 Base-Backbone interact. energy: -1.126 local terms energy: -713.380943 where: bonds (distance) C4'-P energy: -102.671 bonds (distance) P-C4' energy: -152.228 flat angles C4'-P-C4' energy: -149.119 flat angles P-C4'-P energy: -102.045 tors. eta vs tors. theta energy: -207.319 Dist. restrs. and SS energy: 0.000 (S_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: 18 Temperature: 1.250000 Total energy: -2378.583668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.583668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.583668 (E_RNA) where: Base-Base interactions energy: -1679.838 where: short stacking energy: -651.299 Base-Backbone interact. energy: -2.535 local terms energy: -696.211106 where: bonds (distance) C4'-P energy: -96.381 bonds (distance) P-C4' energy: -144.187 flat angles C4'-P-C4' energy: -153.412 flat angles P-C4'-P energy: -93.899 tors. eta vs tors. theta energy: -208.332 Dist. restrs. and SS energy: 0.000 (S_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: 18 Temperature: 1.300000 Total energy: -2342.380562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.380562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.380562 (E_RNA) where: Base-Base interactions energy: -1666.001 where: short stacking energy: -659.575 Base-Backbone interact. energy: -0.733 local terms energy: -675.645793 where: bonds (distance) C4'-P energy: -104.333 bonds (distance) P-C4' energy: -134.451 flat angles C4'-P-C4' energy: -145.538 flat angles P-C4'-P energy: -93.761 tors. eta vs tors. theta energy: -197.562 Dist. restrs. and SS energy: 0.000 (S_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: 18 Temperature: 1.350000 Total energy: -2162.361357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.361357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.361357 (E_RNA) where: Base-Base interactions energy: -1512.876 where: short stacking energy: -620.972 Base-Backbone interact. energy: -1.712 local terms energy: -647.773955 where: bonds (distance) C4'-P energy: -90.734 bonds (distance) P-C4' energy: -139.660 flat angles C4'-P-C4' energy: -135.057 flat angles P-C4'-P energy: -94.311 tors. eta vs tors. theta energy: -188.012 Dist. restrs. and SS energy: 0.000 (S_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: 19 Temperature: 0.900000 Total energy: -2701.257872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.257872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.257872 (E_RNA) where: Base-Base interactions energy: -1918.288 where: short stacking energy: -751.846 Base-Backbone interact. energy: -2.150 local terms energy: -780.820459 where: bonds (distance) C4'-P energy: -131.251 bonds (distance) P-C4' energy: -147.841 flat angles C4'-P-C4' energy: -160.844 flat angles P-C4'-P energy: -116.206 tors. eta vs tors. theta energy: -224.679 Dist. restrs. and SS energy: 0.000 (S_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: 19 Temperature: 0.950000 Total energy: -2656.304450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.304450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.304450 (E_RNA) where: Base-Base interactions energy: -1891.890 where: short stacking energy: -757.416 Base-Backbone interact. energy: -2.903 local terms energy: -761.512344 where: bonds (distance) C4'-P energy: -117.145 bonds (distance) P-C4' energy: -155.767 flat angles C4'-P-C4' energy: -159.826 flat angles P-C4'-P energy: -105.651 tors. eta vs tors. theta energy: -223.123 Dist. restrs. and SS energy: 0.000 (S_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: 19 Temperature: 1.000000 Total energy: -2631.819722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.819722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.819722 (E_RNA) where: Base-Base interactions energy: -1894.646 where: short stacking energy: -735.136 Base-Backbone interact. energy: -0.642 local terms energy: -736.531175 where: bonds (distance) C4'-P energy: -104.061 bonds (distance) P-C4' energy: -147.279 flat angles C4'-P-C4' energy: -157.194 flat angles P-C4'-P energy: -117.851 tors. eta vs tors. theta energy: -210.146 Dist. restrs. and SS energy: 0.000 (S_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: 19 Temperature: 1.050000 Total energy: -2605.753662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.753662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.753662 (E_RNA) where: Base-Base interactions energy: -1864.197 where: short stacking energy: -758.007 Base-Backbone interact. energy: -1.857 local terms energy: -739.699719 where: bonds (distance) C4'-P energy: -105.814 bonds (distance) P-C4' energy: -143.101 flat angles C4'-P-C4' energy: -152.437 flat angles P-C4'-P energy: -115.054 tors. eta vs tors. theta energy: -223.294 Dist. restrs. and SS energy: 0.000 (S_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: 19 Temperature: 1.100000 Total energy: -2562.970781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.970781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.970781 (E_RNA) where: Base-Base interactions energy: -1818.376 where: short stacking energy: -733.603 Base-Backbone interact. energy: -2.264 local terms energy: -742.330486 where: bonds (distance) C4'-P energy: -114.141 bonds (distance) P-C4' energy: -146.074 flat angles C4'-P-C4' energy: -157.860 flat angles P-C4'-P energy: -103.549 tors. eta vs tors. theta energy: -220.707 Dist. restrs. and SS energy: 0.000 (S_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: 19 Temperature: 1.150000 Total energy: -2543.862785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.862785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.862785 (E_RNA) where: Base-Base interactions energy: -1802.279 where: short stacking energy: -711.116 Base-Backbone interact. energy: -1.045 local terms energy: -740.539304 where: bonds (distance) C4'-P energy: -116.524 bonds (distance) P-C4' energy: -138.345 flat angles C4'-P-C4' energy: -153.919 flat angles P-C4'-P energy: -108.863 tors. eta vs tors. theta energy: -222.889 Dist. restrs. and SS energy: 0.000 (S_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: 19 Temperature: 1.200000 Total energy: -2443.915875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.915875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.915875 (E_RNA) where: Base-Base interactions energy: -1751.251 where: short stacking energy: -718.477 Base-Backbone interact. energy: -0.590 local terms energy: -692.075309 where: bonds (distance) C4'-P energy: -100.976 bonds (distance) P-C4' energy: -134.192 flat angles C4'-P-C4' energy: -152.005 flat angles P-C4'-P energy: -95.777 tors. eta vs tors. theta energy: -209.126 Dist. restrs. and SS energy: 0.000 (S_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: 19 Temperature: 1.250000 Total energy: -2365.166512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.166512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.166512 (E_RNA) where: Base-Base interactions energy: -1685.647 where: short stacking energy: -668.123 Base-Backbone interact. energy: -1.461 local terms energy: -678.059362 where: bonds (distance) C4'-P energy: -95.819 bonds (distance) P-C4' energy: -141.214 flat angles C4'-P-C4' energy: -145.976 flat angles P-C4'-P energy: -96.384 tors. eta vs tors. theta energy: -198.667 Dist. restrs. and SS energy: 0.000 (S_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: 19 Temperature: 1.300000 Total energy: -2335.630416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.630416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.630416 (E_RNA) where: Base-Base interactions energy: -1656.241 where: short stacking energy: -658.010 Base-Backbone interact. energy: 0.086 local terms energy: -679.475596 where: bonds (distance) C4'-P energy: -111.922 bonds (distance) P-C4' energy: -123.979 flat angles C4'-P-C4' energy: -149.813 flat angles P-C4'-P energy: -88.269 tors. eta vs tors. theta energy: -205.492 Dist. restrs. and SS energy: 0.000 (S_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: 19 Temperature: 1.350000 Total energy: -2111.559011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.559011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.559011 (E_RNA) where: Base-Base interactions energy: -1472.650 where: short stacking energy: -598.634 Base-Backbone interact. energy: -2.019 local terms energy: -636.890375 where: bonds (distance) C4'-P energy: -95.749 bonds (distance) P-C4' energy: -129.478 flat angles C4'-P-C4' energy: -141.105 flat angles P-C4'-P energy: -98.189 tors. eta vs tors. theta energy: -172.369 Dist. restrs. and SS energy: 0.000 (S_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: 20 Temperature: 0.900000 Total energy: -2695.210984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.210984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.210984 (E_RNA) where: Base-Base interactions energy: -1928.931 where: short stacking energy: -763.183 Base-Backbone interact. energy: -3.209 local terms energy: -763.070726 where: bonds (distance) C4'-P energy: -119.641 bonds (distance) P-C4' energy: -157.216 flat angles C4'-P-C4' energy: -153.824 flat angles P-C4'-P energy: -105.317 tors. eta vs tors. theta energy: -227.074 Dist. restrs. and SS energy: 0.000 (S_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: -2648.507083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.507083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.507083 (E_RNA) where: Base-Base interactions energy: -1884.159 where: short stacking energy: -747.131 Base-Backbone interact. energy: -1.844 local terms energy: -762.503624 where: bonds (distance) C4'-P energy: -119.553 bonds (distance) P-C4' energy: -152.702 flat angles C4'-P-C4' energy: -156.620 flat angles P-C4'-P energy: -108.886 tors. eta vs tors. theta energy: -224.743 Dist. restrs. and SS energy: 0.000 (S_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: 20 Temperature: 1.000000 Total energy: -2627.700211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.700211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.700211 (E_RNA) where: Base-Base interactions energy: -1864.415 where: short stacking energy: -729.277 Base-Backbone interact. energy: -1.724 local terms energy: -761.561234 where: bonds (distance) C4'-P energy: -122.563 bonds (distance) P-C4' energy: -152.425 flat angles C4'-P-C4' energy: -153.712 flat angles P-C4'-P energy: -113.810 tors. eta vs tors. theta energy: -219.052 Dist. restrs. and SS energy: 0.000 (S_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: 20 Temperature: 1.050000 Total energy: -2609.520678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.520678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.520678 (E_RNA) where: Base-Base interactions energy: -1870.355 where: short stacking energy: -754.959 Base-Backbone interact. energy: -1.112 local terms energy: -738.053817 where: bonds (distance) C4'-P energy: -103.882 bonds (distance) P-C4' energy: -141.185 flat angles C4'-P-C4' energy: -154.890 flat angles P-C4'-P energy: -108.652 tors. eta vs tors. theta energy: -229.444 Dist. restrs. and SS energy: 0.000 (S_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: 20 Temperature: 1.100000 Total energy: -2569.307053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.307053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.307053 (E_RNA) where: Base-Base interactions energy: -1806.399 where: short stacking energy: -737.836 Base-Backbone interact. energy: -1.855 local terms energy: -761.053496 where: bonds (distance) C4'-P energy: -112.528 bonds (distance) P-C4' energy: -155.944 flat angles C4'-P-C4' energy: -155.382 flat angles P-C4'-P energy: -112.196 tors. eta vs tors. theta energy: -225.003 Dist. restrs. and SS energy: 0.000 (S_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: 20 Temperature: 1.150000 Total energy: -2555.908578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.908578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.908578 (E_RNA) where: Base-Base interactions energy: -1805.668 where: short stacking energy: -750.317 Base-Backbone interact. energy: -1.566 local terms energy: -748.674843 where: bonds (distance) C4'-P energy: -113.881 bonds (distance) P-C4' energy: -149.897 flat angles C4'-P-C4' energy: -153.715 flat angles P-C4'-P energy: -104.562 tors. eta vs tors. theta energy: -226.620 Dist. restrs. and SS energy: 0.000 (S_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: 20 Temperature: 1.200000 Total energy: -2422.666457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.666457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.666457 (E_RNA) where: Base-Base interactions energy: -1690.344 where: short stacking energy: -708.988 Base-Backbone interact. energy: -0.778 local terms energy: -731.543933 where: bonds (distance) C4'-P energy: -108.619 bonds (distance) P-C4' energy: -153.021 flat angles C4'-P-C4' energy: -153.152 flat angles P-C4'-P energy: -104.920 tors. eta vs tors. theta energy: -211.832 Dist. restrs. and SS energy: 0.000 (S_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: -2368.285768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.285768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.285768 (E_RNA) where: Base-Base interactions energy: -1681.455 where: short stacking energy: -662.183 Base-Backbone interact. energy: -2.132 local terms energy: -684.698341 where: bonds (distance) C4'-P energy: -99.322 bonds (distance) P-C4' energy: -140.702 flat angles C4'-P-C4' energy: -146.757 flat angles P-C4'-P energy: -97.123 tors. eta vs tors. theta energy: -200.794 Dist. restrs. and SS energy: 0.000 (S_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: 20 Temperature: 1.300000 Total energy: -2344.092559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.092559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.092559 (E_RNA) where: Base-Base interactions energy: -1646.392 where: short stacking energy: -664.455 Base-Backbone interact. energy: -2.739 local terms energy: -694.961994 where: bonds (distance) C4'-P energy: -105.294 bonds (distance) P-C4' energy: -132.682 flat angles C4'-P-C4' energy: -153.110 flat angles P-C4'-P energy: -103.310 tors. eta vs tors. theta energy: -200.566 Dist. restrs. and SS energy: 0.000 (S_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: -2159.517061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.517061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.517061 (E_RNA) where: Base-Base interactions energy: -1518.571 where: short stacking energy: -627.696 Base-Backbone interact. energy: -2.043 local terms energy: -638.902946 where: bonds (distance) C4'-P energy: -101.619 bonds (distance) P-C4' energy: -126.303 flat angles C4'-P-C4' energy: -145.174 flat angles P-C4'-P energy: -88.548 tors. eta vs tors. theta energy: -177.258 Dist. restrs. and SS energy: 0.000 (S_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: 21 Temperature: 0.900000 Total energy: -2697.921573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.921573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.921573 (E_RNA) where: Base-Base interactions energy: -1941.534 where: short stacking energy: -762.759 Base-Backbone interact. energy: 0.202 local terms energy: -756.588939 where: bonds (distance) C4'-P energy: -113.747 bonds (distance) P-C4' energy: -157.166 flat angles C4'-P-C4' energy: -157.877 flat angles P-C4'-P energy: -104.627 tors. eta vs tors. theta energy: -223.172 Dist. restrs. and SS energy: 0.000 (S_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: 21 Temperature: 0.950000 Total energy: -2659.645031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.645031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.645031 (E_RNA) where: Base-Base interactions energy: -1883.171 where: short stacking energy: -735.892 Base-Backbone interact. energy: 4.305 local terms energy: -780.778516 where: bonds (distance) C4'-P energy: -131.511 bonds (distance) P-C4' energy: -154.935 flat angles C4'-P-C4' energy: -160.442 flat angles P-C4'-P energy: -112.443 tors. eta vs tors. theta energy: -221.447 Dist. restrs. and SS energy: 0.000 (S_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: 21 Temperature: 1.000000 Total energy: -2642.386416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.386416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.386416 (E_RNA) where: Base-Base interactions energy: -1905.922 where: short stacking energy: -756.038 Base-Backbone interact. energy: -3.465 local terms energy: -732.999501 where: bonds (distance) C4'-P energy: -89.809 bonds (distance) P-C4' energy: -143.177 flat angles C4'-P-C4' energy: -155.644 flat angles P-C4'-P energy: -119.900 tors. eta vs tors. theta energy: -224.469 Dist. restrs. and SS energy: 0.000 (S_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: -2602.384947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.384947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.384947 (E_RNA) where: Base-Base interactions energy: -1858.767 where: short stacking energy: -763.073 Base-Backbone interact. energy: -3.105 local terms energy: -740.513172 where: bonds (distance) C4'-P energy: -100.837 bonds (distance) P-C4' energy: -154.621 flat angles C4'-P-C4' energy: -150.748 flat angles P-C4'-P energy: -105.096 tors. eta vs tors. theta energy: -229.210 Dist. restrs. and SS energy: 0.000 (S_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: 21 Temperature: 1.100000 Total energy: -2567.793335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.793335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.793335 (E_RNA) where: Base-Base interactions energy: -1826.525 where: short stacking energy: -721.645 Base-Backbone interact. energy: -1.885 local terms energy: -739.383616 where: bonds (distance) C4'-P energy: -122.402 bonds (distance) P-C4' energy: -134.980 flat angles C4'-P-C4' energy: -153.129 flat angles P-C4'-P energy: -108.836 tors. eta vs tors. theta energy: -220.038 Dist. restrs. and SS energy: 0.000 (S_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: 21 Temperature: 1.150000 Total energy: -2525.049380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.049380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.049380 (E_RNA) where: Base-Base interactions energy: -1802.526 where: short stacking energy: -733.431 Base-Backbone interact. energy: -2.381 local terms energy: -720.141752 where: bonds (distance) C4'-P energy: -104.132 bonds (distance) P-C4' energy: -141.854 flat angles C4'-P-C4' energy: -147.020 flat angles P-C4'-P energy: -106.105 tors. eta vs tors. theta energy: -221.031 Dist. restrs. and SS energy: 0.000 (S_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: -2445.849478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.849478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.849478 (E_RNA) where: Base-Base interactions energy: -1741.367 where: short stacking energy: -708.803 Base-Backbone interact. energy: -1.102 local terms energy: -703.380278 where: bonds (distance) C4'-P energy: -113.399 bonds (distance) P-C4' energy: -131.881 flat angles C4'-P-C4' energy: -145.165 flat angles P-C4'-P energy: -102.985 tors. eta vs tors. theta energy: -209.950 Dist. restrs. and SS energy: 0.000 (S_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: 21 Temperature: 1.250000 Total energy: -2416.336266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.336266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.336266 (E_RNA) where: Base-Base interactions energy: -1704.510 where: short stacking energy: -705.597 Base-Backbone interact. energy: -1.766 local terms energy: -710.060282 where: bonds (distance) C4'-P energy: -95.805 bonds (distance) P-C4' energy: -134.182 flat angles C4'-P-C4' energy: -157.127 flat angles P-C4'-P energy: -104.522 tors. eta vs tors. theta energy: -218.425 Dist. restrs. and SS energy: 0.000 (S_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: 21 Temperature: 1.300000 Total energy: -2341.269119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.269119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.269119 (E_RNA) where: Base-Base interactions energy: -1670.462 where: short stacking energy: -663.259 Base-Backbone interact. energy: 0.467 local terms energy: -671.274275 where: bonds (distance) C4'-P energy: -94.574 bonds (distance) P-C4' energy: -130.919 flat angles C4'-P-C4' energy: -154.625 flat angles P-C4'-P energy: -93.659 tors. eta vs tors. theta energy: -197.497 Dist. restrs. and SS energy: 0.000 (S_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: -2197.740028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.740028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.740028 (E_RNA) where: Base-Base interactions energy: -1525.253 where: short stacking energy: -632.859 Base-Backbone interact. energy: -1.810 local terms energy: -670.677388 where: bonds (distance) C4'-P energy: -112.536 bonds (distance) P-C4' energy: -139.007 flat angles C4'-P-C4' energy: -147.084 flat angles P-C4'-P energy: -90.736 tors. eta vs tors. theta energy: -181.314 Dist. restrs. and SS energy: 0.000 (S_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: -2721.313333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.313333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.313333 (E_RNA) where: Base-Base interactions energy: -1950.493 where: short stacking energy: -770.123 Base-Backbone interact. energy: -1.057 local terms energy: -769.762635 where: bonds (distance) C4'-P energy: -122.804 bonds (distance) P-C4' energy: -150.025 flat angles C4'-P-C4' energy: -158.206 flat angles P-C4'-P energy: -112.458 tors. eta vs tors. theta energy: -226.269 Dist. restrs. and SS energy: 0.000 (S_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: 22 Temperature: 0.950000 Total energy: -2661.878894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.878894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.878894 (E_RNA) where: Base-Base interactions energy: -1901.222 where: short stacking energy: -749.292 Base-Backbone interact. energy: -1.882 local terms energy: -758.774446 where: bonds (distance) C4'-P energy: -123.393 bonds (distance) P-C4' energy: -148.901 flat angles C4'-P-C4' energy: -161.108 flat angles P-C4'-P energy: -103.356 tors. eta vs tors. theta energy: -222.017 Dist. restrs. and SS energy: 0.000 (S_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: 22 Temperature: 1.000000 Total energy: -2665.740958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.740958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.740958 (E_RNA) where: Base-Base interactions energy: -1897.693 where: short stacking energy: -742.734 Base-Backbone interact. energy: -3.455 local terms energy: -764.593190 where: bonds (distance) C4'-P energy: -118.208 bonds (distance) P-C4' energy: -160.594 flat angles C4'-P-C4' energy: -162.495 flat angles P-C4'-P energy: -103.048 tors. eta vs tors. theta energy: -220.249 Dist. restrs. and SS energy: 0.000 (S_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: 22 Temperature: 1.050000 Total energy: -2609.419009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.419009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.419009 (E_RNA) where: Base-Base interactions energy: -1837.425 where: short stacking energy: -737.274 Base-Backbone interact. energy: -0.678 local terms energy: -771.315550 where: bonds (distance) C4'-P energy: -125.835 bonds (distance) P-C4' energy: -146.163 flat angles C4'-P-C4' energy: -164.367 flat angles P-C4'-P energy: -105.831 tors. eta vs tors. theta energy: -229.120 Dist. restrs. and SS energy: 0.000 (S_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: -2572.146493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.146493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.146493 (E_RNA) where: Base-Base interactions energy: -1836.707 where: short stacking energy: -721.230 Base-Backbone interact. energy: -2.234 local terms energy: -733.205264 where: bonds (distance) C4'-P energy: -115.837 bonds (distance) P-C4' energy: -147.648 flat angles C4'-P-C4' energy: -150.292 flat angles P-C4'-P energy: -100.717 tors. eta vs tors. theta energy: -218.711 Dist. restrs. and SS energy: 0.000 (S_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: 22 Temperature: 1.150000 Total energy: -2548.979522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.979522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.979522 (E_RNA) where: Base-Base interactions energy: -1826.030 where: short stacking energy: -728.469 Base-Backbone interact. energy: -3.558 local terms energy: -719.391845 where: bonds (distance) C4'-P energy: -105.240 bonds (distance) P-C4' energy: -140.029 flat angles C4'-P-C4' energy: -146.180 flat angles P-C4'-P energy: -105.970 tors. eta vs tors. theta energy: -221.973 Dist. restrs. and SS energy: 0.000 (S_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: 22 Temperature: 1.200000 Total energy: -2428.412097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.412097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.412097 (E_RNA) where: Base-Base interactions energy: -1704.712 where: short stacking energy: -681.550 Base-Backbone interact. energy: -1.279 local terms energy: -722.420678 where: bonds (distance) C4'-P energy: -112.715 bonds (distance) P-C4' energy: -154.704 flat angles C4'-P-C4' energy: -144.347 flat angles P-C4'-P energy: -100.332 tors. eta vs tors. theta energy: -210.324 Dist. restrs. and SS energy: 0.000 (S_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: 22 Temperature: 1.250000 Total energy: -2411.996913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.996913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.996913 (E_RNA) where: Base-Base interactions energy: -1720.364 where: short stacking energy: -694.160 Base-Backbone interact. energy: 3.308 local terms energy: -694.940899 where: bonds (distance) C4'-P energy: -113.290 bonds (distance) P-C4' energy: -144.942 flat angles C4'-P-C4' energy: -145.142 flat angles P-C4'-P energy: -85.386 tors. eta vs tors. theta energy: -206.180 Dist. restrs. and SS energy: 0.000 (S_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: 22 Temperature: 1.300000 Total energy: -2320.471526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.471526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.471526 (E_RNA) where: Base-Base interactions energy: -1619.404 where: short stacking energy: -654.252 Base-Backbone interact. energy: -1.097 local terms energy: -699.970668 where: bonds (distance) C4'-P energy: -104.942 bonds (distance) P-C4' energy: -138.899 flat angles C4'-P-C4' energy: -150.707 flat angles P-C4'-P energy: -93.636 tors. eta vs tors. theta energy: -211.787 Dist. restrs. and SS energy: 0.000 (S_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: 22 Temperature: 1.350000 Total energy: -2199.464962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.464962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.464962 (E_RNA) where: Base-Base interactions energy: -1544.374 where: short stacking energy: -616.946 Base-Backbone interact. energy: -3.105 local terms energy: -651.985326 where: bonds (distance) C4'-P energy: -98.373 bonds (distance) P-C4' energy: -124.456 flat angles C4'-P-C4' energy: -146.209 flat angles P-C4'-P energy: -89.309 tors. eta vs tors. theta energy: -193.639 Dist. restrs. and SS energy: 0.000 (S_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: -2706.091236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.091236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.091236 (E_RNA) where: Base-Base interactions energy: -1938.836 where: short stacking energy: -757.011 Base-Backbone interact. energy: 2.620 local terms energy: -769.875695 where: bonds (distance) C4'-P energy: -113.123 bonds (distance) P-C4' energy: -152.628 flat angles C4'-P-C4' energy: -163.032 flat angles P-C4'-P energy: -119.698 tors. eta vs tors. theta energy: -221.394 Dist. restrs. and SS energy: 0.000 (S_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: 23 Temperature: 0.950000 Total energy: -2655.148118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.148118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.148118 (E_RNA) where: Base-Base interactions energy: -1890.644 where: short stacking energy: -731.896 Base-Backbone interact. energy: -0.191 local terms energy: -764.313087 where: bonds (distance) C4'-P energy: -129.074 bonds (distance) P-C4' energy: -156.426 flat angles C4'-P-C4' energy: -152.912 flat angles P-C4'-P energy: -110.524 tors. eta vs tors. theta energy: -215.377 Dist. restrs. and SS energy: 0.000 (S_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: 23 Temperature: 1.000000 Total energy: -2656.199954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.199954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.199954 (E_RNA) where: Base-Base interactions energy: -1902.839 where: short stacking energy: -757.026 Base-Backbone interact. energy: -1.915 local terms energy: -751.445402 where: bonds (distance) C4'-P energy: -107.256 bonds (distance) P-C4' energy: -156.935 flat angles C4'-P-C4' energy: -165.435 flat angles P-C4'-P energy: -104.945 tors. eta vs tors. theta energy: -216.874 Dist. restrs. and SS energy: 0.000 (S_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: -2603.293082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.293082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.293082 (E_RNA) where: Base-Base interactions energy: -1859.912 where: short stacking energy: -730.427 Base-Backbone interact. energy: -4.390 local terms energy: -738.991330 where: bonds (distance) C4'-P energy: -120.629 bonds (distance) P-C4' energy: -148.398 flat angles C4'-P-C4' energy: -150.712 flat angles P-C4'-P energy: -98.337 tors. eta vs tors. theta energy: -220.915 Dist. restrs. and SS energy: 0.000 (S_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: 23 Temperature: 1.100000 Total energy: -2581.936947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.936947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.936947 (E_RNA) where: Base-Base interactions energy: -1855.358 where: short stacking energy: -742.957 Base-Backbone interact. energy: -1.406 local terms energy: -725.173415 where: bonds (distance) C4'-P energy: -110.720 bonds (distance) P-C4' energy: -132.098 flat angles C4'-P-C4' energy: -152.583 flat angles P-C4'-P energy: -101.676 tors. eta vs tors. theta energy: -228.096 Dist. restrs. and SS energy: 0.000 (S_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: 23 Temperature: 1.150000 Total energy: -2531.207684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.207684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.207684 (E_RNA) where: Base-Base interactions energy: -1816.708 where: short stacking energy: -737.130 Base-Backbone interact. energy: -0.804 local terms energy: -713.695523 where: bonds (distance) C4'-P energy: -103.408 bonds (distance) P-C4' energy: -144.650 flat angles C4'-P-C4' energy: -156.598 flat angles P-C4'-P energy: -95.636 tors. eta vs tors. theta energy: -213.404 Dist. restrs. and SS energy: 0.000 (S_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: 23 Temperature: 1.200000 Total energy: -2464.921270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.921270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.921270 (E_RNA) where: Base-Base interactions energy: -1749.422 where: short stacking energy: -704.600 Base-Backbone interact. energy: -1.958 local terms energy: -713.541155 where: bonds (distance) C4'-P energy: -113.678 bonds (distance) P-C4' energy: -137.087 flat angles C4'-P-C4' energy: -144.531 flat angles P-C4'-P energy: -105.602 tors. eta vs tors. theta energy: -212.643 Dist. restrs. and SS energy: 0.000 (S_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: 23 Temperature: 1.250000 Total energy: -2361.886056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.886056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.886056 (E_RNA) where: Base-Base interactions energy: -1683.382 where: short stacking energy: -662.974 Base-Backbone interact. energy: 1.891 local terms energy: -680.395871 where: bonds (distance) C4'-P energy: -94.558 bonds (distance) P-C4' energy: -130.280 flat angles C4'-P-C4' energy: -142.770 flat angles P-C4'-P energy: -106.766 tors. eta vs tors. theta energy: -206.022 Dist. restrs. and SS energy: 0.000 (S_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: 23 Temperature: 1.300000 Total energy: -2309.932601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.932601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.932601 (E_RNA) where: Base-Base interactions energy: -1670.251 where: short stacking energy: -676.673 Base-Backbone interact. energy: -2.145 local terms energy: -637.536980 where: bonds (distance) C4'-P energy: -89.728 bonds (distance) P-C4' energy: -118.238 flat angles C4'-P-C4' energy: -149.114 flat angles P-C4'-P energy: -72.422 tors. eta vs tors. theta energy: -208.034 Dist. restrs. and SS energy: 0.000 (S_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: 23 Temperature: 1.350000 Total energy: -2190.825104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.825104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.825104 (E_RNA) where: Base-Base interactions energy: -1549.630 where: short stacking energy: -632.346 Base-Backbone interact. energy: -1.041 local terms energy: -640.153834 where: bonds (distance) C4'-P energy: -91.176 bonds (distance) P-C4' energy: -128.295 flat angles C4'-P-C4' energy: -144.490 flat angles P-C4'-P energy: -100.783 tors. eta vs tors. theta energy: -175.410 Dist. restrs. and SS energy: 0.000 (S_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: 24 Temperature: 0.900000 Total energy: -2704.154954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.154954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.154954 (E_RNA) where: Base-Base interactions energy: -1927.501 where: short stacking energy: -759.890 Base-Backbone interact. energy: -2.903 local terms energy: -773.751280 where: bonds (distance) C4'-P energy: -132.156 bonds (distance) P-C4' energy: -152.250 flat angles C4'-P-C4' energy: -154.478 flat angles P-C4'-P energy: -112.573 tors. eta vs tors. theta energy: -222.294 Dist. restrs. and SS energy: 0.000 (S_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: 24 Temperature: 0.950000 Total energy: -2683.178654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.178654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.178654 (E_RNA) where: Base-Base interactions energy: -1904.320 where: short stacking energy: -745.828 Base-Backbone interact. energy: -2.586 local terms energy: -776.272264 where: bonds (distance) C4'-P energy: -124.548 bonds (distance) P-C4' energy: -160.867 flat angles C4'-P-C4' energy: -159.302 flat angles P-C4'-P energy: -114.747 tors. eta vs tors. theta energy: -216.809 Dist. restrs. and SS energy: 0.000 (S_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: 24 Temperature: 1.000000 Total energy: -2667.241169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.241169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.241169 (E_RNA) where: Base-Base interactions energy: -1900.322 where: short stacking energy: -753.711 Base-Backbone interact. energy: 3.297 local terms energy: -770.216851 where: bonds (distance) C4'-P energy: -123.743 bonds (distance) P-C4' energy: -160.772 flat angles C4'-P-C4' energy: -158.210 flat angles P-C4'-P energy: -101.251 tors. eta vs tors. theta energy: -226.241 Dist. restrs. and SS energy: 0.000 (S_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: 24 Temperature: 1.050000 Total energy: -2623.785714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.785714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.785714 (E_RNA) where: Base-Base interactions energy: -1879.306 where: short stacking energy: -744.420 Base-Backbone interact. energy: -2.728 local terms energy: -741.751428 where: bonds (distance) C4'-P energy: -115.358 bonds (distance) P-C4' energy: -149.522 flat angles C4'-P-C4' energy: -157.631 flat angles P-C4'-P energy: -100.412 tors. eta vs tors. theta energy: -218.828 Dist. restrs. and SS energy: 0.000 (S_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: 24 Temperature: 1.100000 Total energy: -2567.996218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.996218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.996218 (E_RNA) where: Base-Base interactions energy: -1838.200 where: short stacking energy: -724.847 Base-Backbone interact. energy: -3.792 local terms energy: -726.004382 where: bonds (distance) C4'-P energy: -102.618 bonds (distance) P-C4' energy: -157.678 flat angles C4'-P-C4' energy: -151.928 flat angles P-C4'-P energy: -98.653 tors. eta vs tors. theta energy: -215.128 Dist. restrs. and SS energy: 0.000 (S_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: 24 Temperature: 1.150000 Total energy: -2535.795740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.795740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.795740 (E_RNA) where: Base-Base interactions energy: -1793.963 where: short stacking energy: -722.376 Base-Backbone interact. energy: 0.120 local terms energy: -741.952708 where: bonds (distance) C4'-P energy: -116.321 bonds (distance) P-C4' energy: -150.029 flat angles C4'-P-C4' energy: -155.512 flat angles P-C4'-P energy: -107.332 tors. eta vs tors. theta energy: -212.760 Dist. restrs. and SS energy: 0.000 (S_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: 24 Temperature: 1.200000 Total energy: -2471.227908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.227908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.227908 (E_RNA) where: Base-Base interactions energy: -1755.222 where: short stacking energy: -707.278 Base-Backbone interact. energy: -1.578 local terms energy: -714.427673 where: bonds (distance) C4'-P energy: -99.034 bonds (distance) P-C4' energy: -152.165 flat angles C4'-P-C4' energy: -149.294 flat angles P-C4'-P energy: -99.748 tors. eta vs tors. theta energy: -214.186 Dist. restrs. and SS energy: 0.000 (S_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: 24 Temperature: 1.250000 Total energy: -2367.522783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.522783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.522783 (E_RNA) where: Base-Base interactions energy: -1684.738 where: short stacking energy: -662.542 Base-Backbone interact. energy: -1.192 local terms energy: -681.591882 where: bonds (distance) C4'-P energy: -107.332 bonds (distance) P-C4' energy: -138.860 flat angles C4'-P-C4' energy: -146.734 flat angles P-C4'-P energy: -88.115 tors. eta vs tors. theta energy: -200.551 Dist. restrs. and SS energy: 0.000 (S_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: 24 Temperature: 1.300000 Total energy: -2319.665593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.665593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.665593 (E_RNA) where: Base-Base interactions energy: -1627.490 where: short stacking energy: -669.559 Base-Backbone interact. energy: -1.587 local terms energy: -690.588471 where: bonds (distance) C4'-P energy: -110.365 bonds (distance) P-C4' energy: -145.201 flat angles C4'-P-C4' energy: -140.382 flat angles P-C4'-P energy: -95.758 tors. eta vs tors. theta energy: -198.882 Dist. restrs. and SS energy: 0.000 (S_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: 24 Temperature: 1.350000 Total energy: -2256.668398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.668398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.668398 (E_RNA) where: Base-Base interactions energy: -1597.421 where: short stacking energy: -651.267 Base-Backbone interact. energy: 2.956 local terms energy: -662.203466 where: bonds (distance) C4'-P energy: -99.959 bonds (distance) P-C4' energy: -127.180 flat angles C4'-P-C4' energy: -148.650 flat angles P-C4'-P energy: -99.160 tors. eta vs tors. theta energy: -187.255 Dist. restrs. and SS energy: 0.000 (S_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: 25 Temperature: 0.900000 Total energy: -2693.566237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.566237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.566237 (E_RNA) where: Base-Base interactions energy: -1925.659 where: short stacking energy: -757.078 Base-Backbone interact. energy: -2.135 local terms energy: -765.771805 where: bonds (distance) C4'-P energy: -121.608 bonds (distance) P-C4' energy: -154.791 flat angles C4'-P-C4' energy: -154.544 flat angles P-C4'-P energy: -115.802 tors. eta vs tors. theta energy: -219.028 Dist. restrs. and SS energy: 0.000 (S_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: 25 Temperature: 0.950000 Total energy: -2686.078596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.078596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.078596 (E_RNA) where: Base-Base interactions energy: -1928.098 where: short stacking energy: -759.152 Base-Backbone interact. energy: -1.111 local terms energy: -756.869941 where: bonds (distance) C4'-P energy: -116.561 bonds (distance) P-C4' energy: -153.943 flat angles C4'-P-C4' energy: -159.034 flat angles P-C4'-P energy: -103.199 tors. eta vs tors. theta energy: -224.132 Dist. restrs. and SS energy: 0.000 (S_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: 25 Temperature: 1.000000 Total energy: -2652.926293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.926293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.926293 (E_RNA) where: Base-Base interactions energy: -1900.288 where: short stacking energy: -754.497 Base-Backbone interact. energy: 0.596 local terms energy: -753.233685 where: bonds (distance) C4'-P energy: -115.363 bonds (distance) P-C4' energy: -151.480 flat angles C4'-P-C4' energy: -157.693 flat angles P-C4'-P energy: -107.118 tors. eta vs tors. theta energy: -221.580 Dist. restrs. and SS energy: 0.000 (S_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: 25 Temperature: 1.050000 Total energy: -2572.424015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.424015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.424015 (E_RNA) where: Base-Base interactions energy: -1835.287 where: short stacking energy: -732.837 Base-Backbone interact. energy: -1.731 local terms energy: -735.406015 where: bonds (distance) C4'-P energy: -112.518 bonds (distance) P-C4' energy: -147.617 flat angles C4'-P-C4' energy: -156.255 flat angles P-C4'-P energy: -99.069 tors. eta vs tors. theta energy: -219.947 Dist. restrs. and SS energy: 0.000 (S_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: 25 Temperature: 1.100000 Total energy: -2582.577975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.577975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.577975 (E_RNA) where: Base-Base interactions energy: -1864.162 where: short stacking energy: -742.454 Base-Backbone interact. energy: -3.239 local terms energy: -715.177170 where: bonds (distance) C4'-P energy: -119.187 bonds (distance) P-C4' energy: -133.832 flat angles C4'-P-C4' energy: -147.471 flat angles P-C4'-P energy: -95.348 tors. eta vs tors. theta energy: -219.339 Dist. restrs. and SS energy: 0.000 (S_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: 25 Temperature: 1.150000 Total energy: -2495.265687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.265687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.265687 (E_RNA) where: Base-Base interactions energy: -1789.395 where: short stacking energy: -719.060 Base-Backbone interact. energy: 0.272 local terms energy: -706.142767 where: bonds (distance) C4'-P energy: -107.279 bonds (distance) P-C4' energy: -138.505 flat angles C4'-P-C4' energy: -150.447 flat angles P-C4'-P energy: -98.000 tors. eta vs tors. theta energy: -211.912 Dist. restrs. and SS energy: 0.000 (S_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: 25 Temperature: 1.200000 Total energy: -2462.864618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.864618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.864618 (E_RNA) where: Base-Base interactions energy: -1755.107 where: short stacking energy: -692.962 Base-Backbone interact. energy: -0.183 local terms energy: -707.575589 where: bonds (distance) C4'-P energy: -117.788 bonds (distance) P-C4' energy: -140.582 flat angles C4'-P-C4' energy: -149.146 flat angles P-C4'-P energy: -85.890 tors. eta vs tors. theta energy: -214.171 Dist. restrs. and SS energy: 0.000 (S_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: 25 Temperature: 1.250000 Total energy: -2333.616714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.616714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.616714 (E_RNA) where: Base-Base interactions energy: -1631.181 where: short stacking energy: -656.859 Base-Backbone interact. energy: -2.503 local terms energy: -699.932511 where: bonds (distance) C4'-P energy: -114.454 bonds (distance) P-C4' energy: -144.067 flat angles C4'-P-C4' energy: -151.605 flat angles P-C4'-P energy: -93.058 tors. eta vs tors. theta energy: -196.748 Dist. restrs. and SS energy: 0.000 (S_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: 25 Temperature: 1.300000 Total energy: -2303.026832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.026832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.026832 (E_RNA) where: Base-Base interactions energy: -1613.422 where: short stacking energy: -622.620 Base-Backbone interact. energy: -2.411 local terms energy: -687.193824 where: bonds (distance) C4'-P energy: -115.752 bonds (distance) P-C4' energy: -142.775 flat angles C4'-P-C4' energy: -144.271 flat angles P-C4'-P energy: -93.743 tors. eta vs tors. theta energy: -190.653 Dist. restrs. and SS energy: 0.000 (S_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: 25 Temperature: 1.350000 Total energy: -2231.917429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.917429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.917429 (E_RNA) where: Base-Base interactions energy: -1575.226 where: short stacking energy: -622.648 Base-Backbone interact. energy: 2.883 local terms energy: -659.574240 where: bonds (distance) C4'-P energy: -94.198 bonds (distance) P-C4' energy: -125.691 flat angles C4'-P-C4' energy: -149.538 flat angles P-C4'-P energy: -95.502 tors. eta vs tors. theta energy: -194.646 Dist. restrs. and SS energy: 0.000 (S_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: 26 Temperature: 0.900000 Total energy: -2699.418139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.418139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.418139 (E_RNA) where: Base-Base interactions energy: -1941.463 where: short stacking energy: -760.180 Base-Backbone interact. energy: -2.323 local terms energy: -755.632145 where: bonds (distance) C4'-P energy: -121.527 bonds (distance) P-C4' energy: -148.509 flat angles C4'-P-C4' energy: -159.551 flat angles P-C4'-P energy: -108.440 tors. eta vs tors. theta energy: -217.604 Dist. restrs. and SS energy: 0.000 (S_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: 26 Temperature: 0.950000 Total energy: -2665.057691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.057691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.057691 (E_RNA) where: Base-Base interactions energy: -1915.049 where: short stacking energy: -735.309 Base-Backbone interact. energy: -2.267 local terms energy: -747.741636 where: bonds (distance) C4'-P energy: -106.311 bonds (distance) P-C4' energy: -151.308 flat angles C4'-P-C4' energy: -162.805 flat angles P-C4'-P energy: -107.969 tors. eta vs tors. theta energy: -219.348 Dist. restrs. and SS energy: 0.000 (S_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: 26 Temperature: 1.000000 Total energy: -2650.349362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.349362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.349362 (E_RNA) where: Base-Base interactions energy: -1891.593 where: short stacking energy: -729.486 Base-Backbone interact. energy: -3.067 local terms energy: -755.689585 where: bonds (distance) C4'-P energy: -126.292 bonds (distance) P-C4' energy: -140.616 flat angles C4'-P-C4' energy: -163.879 flat angles P-C4'-P energy: -110.610 tors. eta vs tors. theta energy: -214.292 Dist. restrs. and SS energy: 0.000 (S_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: 26 Temperature: 1.050000 Total energy: -2608.794201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.794201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.794201 (E_RNA) where: Base-Base interactions energy: -1862.208 where: short stacking energy: -737.877 Base-Backbone interact. energy: 1.291 local terms energy: -747.877143 where: bonds (distance) C4'-P energy: -119.549 bonds (distance) P-C4' energy: -146.836 flat angles C4'-P-C4' energy: -156.833 flat angles P-C4'-P energy: -101.725 tors. eta vs tors. theta energy: -222.934 Dist. restrs. and SS energy: 0.000 (S_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: 26 Temperature: 1.100000 Total energy: -2590.297308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.297308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.297308 (E_RNA) where: Base-Base interactions energy: -1858.269 where: short stacking energy: -725.398 Base-Backbone interact. energy: -0.511 local terms energy: -731.516417 where: bonds (distance) C4'-P energy: -105.306 bonds (distance) P-C4' energy: -154.352 flat angles C4'-P-C4' energy: -154.265 flat angles P-C4'-P energy: -101.959 tors. eta vs tors. theta energy: -215.636 Dist. restrs. and SS energy: 0.000 (S_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: 26 Temperature: 1.150000 Total energy: -2497.231697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.231697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.231697 (E_RNA) where: Base-Base interactions energy: -1781.021 where: short stacking energy: -720.173 Base-Backbone interact. energy: 0.631 local terms energy: -716.841776 where: bonds (distance) C4'-P energy: -112.634 bonds (distance) P-C4' energy: -140.193 flat angles C4'-P-C4' energy: -147.557 flat angles P-C4'-P energy: -110.003 tors. eta vs tors. theta energy: -206.455 Dist. restrs. and SS energy: 0.000 (S_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: 26 Temperature: 1.200000 Total energy: -2403.010475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.010475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.010475 (E_RNA) where: Base-Base interactions energy: -1700.658 where: short stacking energy: -711.799 Base-Backbone interact. energy: -3.075 local terms energy: -699.277839 where: bonds (distance) C4'-P energy: -96.758 bonds (distance) P-C4' energy: -143.694 flat angles C4'-P-C4' energy: -141.756 flat angles P-C4'-P energy: -103.483 tors. eta vs tors. theta energy: -213.587 Dist. restrs. and SS energy: 0.000 (S_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: 26 Temperature: 1.250000 Total energy: -2379.770884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.770884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.770884 (E_RNA) where: Base-Base interactions energy: -1696.777 where: short stacking energy: -677.099 Base-Backbone interact. energy: -0.079 local terms energy: -682.915237 where: bonds (distance) C4'-P energy: -112.712 bonds (distance) P-C4' energy: -141.855 flat angles C4'-P-C4' energy: -143.509 flat angles P-C4'-P energy: -83.991 tors. eta vs tors. theta energy: -200.848 Dist. restrs. and SS energy: 0.000 (S_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: 26 Temperature: 1.300000 Total energy: -2304.910211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.910211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.910211 (E_RNA) where: Base-Base interactions energy: -1630.389 where: short stacking energy: -656.943 Base-Backbone interact. energy: -1.943 local terms energy: -672.578458 where: bonds (distance) C4'-P energy: -89.028 bonds (distance) P-C4' energy: -145.311 flat angles C4'-P-C4' energy: -141.880 flat angles P-C4'-P energy: -98.237 tors. eta vs tors. theta energy: -198.123 Dist. restrs. and SS energy: 0.000 (S_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: 26 Temperature: 1.350000 Total energy: -2167.083381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.083381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.083381 (E_RNA) where: Base-Base interactions energy: -1534.138 where: short stacking energy: -620.172 Base-Backbone interact. energy: -0.927 local terms energy: -632.019074 where: bonds (distance) C4'-P energy: -120.750 bonds (distance) P-C4' energy: -100.536 flat angles C4'-P-C4' energy: -139.996 flat angles P-C4'-P energy: -101.212 tors. eta vs tors. theta energy: -169.526 Dist. restrs. and SS energy: 0.000 (S_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: 27 Temperature: 0.900000 Total energy: -2716.457209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.457209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.457209 (E_RNA) where: Base-Base interactions energy: -1937.236 where: short stacking energy: -768.243 Base-Backbone interact. energy: -1.889 local terms energy: -777.332097 where: bonds (distance) C4'-P energy: -120.598 bonds (distance) P-C4' energy: -143.624 flat angles C4'-P-C4' energy: -169.890 flat angles P-C4'-P energy: -119.551 tors. eta vs tors. theta energy: -223.669 Dist. restrs. and SS energy: 0.000 (S_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: 27 Temperature: 0.950000 Total energy: -2661.634421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.634421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.634421 (E_RNA) where: Base-Base interactions energy: -1906.174 where: short stacking energy: -756.904 Base-Backbone interact. energy: 1.849 local terms energy: -757.309960 where: bonds (distance) C4'-P energy: -124.095 bonds (distance) P-C4' energy: -148.833 flat angles C4'-P-C4' energy: -159.702 flat angles P-C4'-P energy: -105.417 tors. eta vs tors. theta energy: -219.262 Dist. restrs. and SS energy: 0.000 (S_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: 27 Temperature: 1.000000 Total energy: -2651.376253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.376253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.376253 (E_RNA) where: Base-Base interactions energy: -1900.110 where: short stacking energy: -748.578 Base-Backbone interact. energy: 1.006 local terms energy: -752.272423 where: bonds (distance) C4'-P energy: -120.250 bonds (distance) P-C4' energy: -156.840 flat angles C4'-P-C4' energy: -148.926 flat angles P-C4'-P energy: -108.316 tors. eta vs tors. theta energy: -217.941 Dist. restrs. and SS energy: 0.000 (S_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: 27 Temperature: 1.050000 Total energy: -2619.167581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.167581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.167581 (E_RNA) where: Base-Base interactions energy: -1876.989 where: short stacking energy: -738.471 Base-Backbone interact. energy: -2.513 local terms energy: -739.665480 where: bonds (distance) C4'-P energy: -105.172 bonds (distance) P-C4' energy: -142.052 flat angles C4'-P-C4' energy: -158.768 flat angles P-C4'-P energy: -110.237 tors. eta vs tors. theta energy: -223.437 Dist. restrs. and SS energy: 0.000 (S_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: 27 Temperature: 1.100000 Total energy: -2558.478877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.478877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.478877 (E_RNA) where: Base-Base interactions energy: -1831.402 where: short stacking energy: -730.787 Base-Backbone interact. energy: -1.538 local terms energy: -725.538710 where: bonds (distance) C4'-P energy: -117.912 bonds (distance) P-C4' energy: -130.277 flat angles C4'-P-C4' energy: -151.617 flat angles P-C4'-P energy: -108.462 tors. eta vs tors. theta energy: -217.270 Dist. restrs. and SS energy: 0.000 (S_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: 27 Temperature: 1.150000 Total energy: -2516.141816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.141816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.141816 (E_RNA) where: Base-Base interactions energy: -1803.964 where: short stacking energy: -730.708 Base-Backbone interact. energy: -0.979 local terms energy: -711.198917 where: bonds (distance) C4'-P energy: -109.535 bonds (distance) P-C4' energy: -134.212 flat angles C4'-P-C4' energy: -149.671 flat angles P-C4'-P energy: -91.845 tors. eta vs tors. theta energy: -225.935 Dist. restrs. and SS energy: 0.000 (S_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: 27 Temperature: 1.200000 Total energy: -2446.110928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.110928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.110928 (E_RNA) where: Base-Base interactions energy: -1728.853 where: short stacking energy: -700.296 Base-Backbone interact. energy: -1.042 local terms energy: -716.215951 where: bonds (distance) C4'-P energy: -115.576 bonds (distance) P-C4' energy: -139.966 flat angles C4'-P-C4' energy: -159.170 flat angles P-C4'-P energy: -94.651 tors. eta vs tors. theta energy: -206.852 Dist. restrs. and SS energy: 0.000 (S_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: -2387.493428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.493428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.493428 (E_RNA) where: Base-Base interactions energy: -1687.441 where: short stacking energy: -677.528 Base-Backbone interact. energy: -2.460 local terms energy: -697.592299 where: bonds (distance) C4'-P energy: -115.921 bonds (distance) P-C4' energy: -137.132 flat angles C4'-P-C4' energy: -150.608 flat angles P-C4'-P energy: -87.051 tors. eta vs tors. theta energy: -206.880 Dist. restrs. and SS energy: 0.000 (S_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: 27 Temperature: 1.300000 Total energy: -2289.479259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.479259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.479259 (E_RNA) where: Base-Base interactions energy: -1636.949 where: short stacking energy: -646.509 Base-Backbone interact. energy: 2.127 local terms energy: -654.657142 where: bonds (distance) C4'-P energy: -105.035 bonds (distance) P-C4' energy: -139.004 flat angles C4'-P-C4' energy: -134.161 flat angles P-C4'-P energy: -87.605 tors. eta vs tors. theta energy: -188.852 Dist. restrs. and SS energy: 0.000 (S_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: 27 Temperature: 1.350000 Total energy: -2168.041565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.041565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.041565 (E_RNA) where: Base-Base interactions energy: -1526.086 where: short stacking energy: -609.945 Base-Backbone interact. energy: 4.326 local terms energy: -646.281153 where: bonds (distance) C4'-P energy: -97.361 bonds (distance) P-C4' energy: -142.121 flat angles C4'-P-C4' energy: -143.744 flat angles P-C4'-P energy: -87.210 tors. eta vs tors. theta energy: -175.844 Dist. restrs. and SS energy: 0.000 (S_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: -2727.394238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.394238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.394238 (E_RNA) where: Base-Base interactions energy: -1953.034 where: short stacking energy: -763.382 Base-Backbone interact. energy: -1.287 local terms energy: -773.073318 where: bonds (distance) C4'-P energy: -128.286 bonds (distance) P-C4' energy: -151.684 flat angles C4'-P-C4' energy: -159.901 flat angles P-C4'-P energy: -114.023 tors. eta vs tors. theta energy: -219.180 Dist. restrs. and SS energy: 0.000 (S_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: 28 Temperature: 0.950000 Total energy: -2662.362337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.362337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.362337 (E_RNA) where: Base-Base interactions energy: -1888.430 where: short stacking energy: -732.298 Base-Backbone interact. energy: -2.578 local terms energy: -771.353826 where: bonds (distance) C4'-P energy: -126.864 bonds (distance) P-C4' energy: -152.432 flat angles C4'-P-C4' energy: -160.583 flat angles P-C4'-P energy: -111.621 tors. eta vs tors. theta energy: -219.854 Dist. restrs. and SS energy: 0.000 (S_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: 28 Temperature: 1.000000 Total energy: -2635.250638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.250638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.250638 (E_RNA) where: Base-Base interactions energy: -1884.184 where: short stacking energy: -750.189 Base-Backbone interact. energy: -0.482 local terms energy: -750.584651 where: bonds (distance) C4'-P energy: -115.304 bonds (distance) P-C4' energy: -151.135 flat angles C4'-P-C4' energy: -149.213 flat angles P-C4'-P energy: -115.727 tors. eta vs tors. theta energy: -219.205 Dist. restrs. and SS energy: 0.000 (S_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: 28 Temperature: 1.050000 Total energy: -2615.263506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.263506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.263506 (E_RNA) where: Base-Base interactions energy: -1870.993 where: short stacking energy: -735.294 Base-Backbone interact. energy: -2.936 local terms energy: -741.334792 where: bonds (distance) C4'-P energy: -115.070 bonds (distance) P-C4' energy: -158.207 flat angles C4'-P-C4' energy: -153.236 flat angles P-C4'-P energy: -99.340 tors. eta vs tors. theta energy: -215.482 Dist. restrs. and SS energy: 0.000 (S_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: 28 Temperature: 1.100000 Total energy: -2562.129940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.129940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.129940 (E_RNA) where: Base-Base interactions energy: -1835.078 where: short stacking energy: -725.870 Base-Backbone interact. energy: -0.781 local terms energy: -726.271473 where: bonds (distance) C4'-P energy: -103.522 bonds (distance) P-C4' energy: -142.798 flat angles C4'-P-C4' energy: -151.155 flat angles P-C4'-P energy: -112.576 tors. eta vs tors. theta energy: -216.221 Dist. restrs. and SS energy: 0.000 (S_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: 28 Temperature: 1.150000 Total energy: -2520.217794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.217794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.217794 (E_RNA) where: Base-Base interactions energy: -1792.828 where: short stacking energy: -699.854 Base-Backbone interact. energy: -4.025 local terms energy: -723.364883 where: bonds (distance) C4'-P energy: -119.781 bonds (distance) P-C4' energy: -149.153 flat angles C4'-P-C4' energy: -146.639 flat angles P-C4'-P energy: -91.130 tors. eta vs tors. theta energy: -216.661 Dist. restrs. and SS energy: 0.000 (S_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: -2411.450704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.450704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.450704 (E_RNA) where: Base-Base interactions energy: -1712.414 where: short stacking energy: -695.678 Base-Backbone interact. energy: -1.767 local terms energy: -697.269186 where: bonds (distance) C4'-P energy: -107.716 bonds (distance) P-C4' energy: -139.373 flat angles C4'-P-C4' energy: -147.912 flat angles P-C4'-P energy: -98.488 tors. eta vs tors. theta energy: -203.781 Dist. restrs. and SS energy: 0.000 (S_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: 28 Temperature: 1.250000 Total energy: -2396.224789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.224789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.224789 (E_RNA) where: Base-Base interactions energy: -1724.763 where: short stacking energy: -709.975 Base-Backbone interact. energy: -1.318 local terms energy: -670.143634 where: bonds (distance) C4'-P energy: -91.277 bonds (distance) P-C4' energy: -135.355 flat angles C4'-P-C4' energy: -143.805 flat angles P-C4'-P energy: -88.122 tors. eta vs tors. theta energy: -211.585 Dist. restrs. and SS energy: 0.000 (S_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: 28 Temperature: 1.300000 Total energy: -2247.918786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.918786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.918786 (E_RNA) where: Base-Base interactions energy: -1578.814 where: short stacking energy: -628.151 Base-Backbone interact. energy: -2.507 local terms energy: -666.597700 where: bonds (distance) C4'-P energy: -100.176 bonds (distance) P-C4' energy: -141.014 flat angles C4'-P-C4' energy: -148.065 flat angles P-C4'-P energy: -94.185 tors. eta vs tors. theta energy: -183.159 Dist. restrs. and SS energy: 0.000 (S_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: 28 Temperature: 1.350000 Total energy: -2154.303430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.303430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.303430 (E_RNA) where: Base-Base interactions energy: -1500.637 where: short stacking energy: -611.388 Base-Backbone interact. energy: -2.984 local terms energy: -650.682481 where: bonds (distance) C4'-P energy: -99.722 bonds (distance) P-C4' energy: -137.302 flat angles C4'-P-C4' energy: -135.454 flat angles P-C4'-P energy: -91.745 tors. eta vs tors. theta energy: -186.460 Dist. restrs. and SS energy: 0.000 (S_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: -2728.295077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.295077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.295077 (E_RNA) where: Base-Base interactions energy: -1962.797 where: short stacking energy: -776.431 Base-Backbone interact. energy: -3.615 local terms energy: -761.882890 where: bonds (distance) C4'-P energy: -121.037 bonds (distance) P-C4' energy: -142.247 flat angles C4'-P-C4' energy: -164.859 flat angles P-C4'-P energy: -109.515 tors. eta vs tors. theta energy: -224.224 Dist. restrs. and SS energy: 0.000 (S_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: 29 Temperature: 0.950000 Total energy: -2668.021762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.021762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.021762 (E_RNA) where: Base-Base interactions energy: -1919.560 where: short stacking energy: -769.847 Base-Backbone interact. energy: -1.225 local terms energy: -747.237393 where: bonds (distance) C4'-P energy: -107.307 bonds (distance) P-C4' energy: -137.004 flat angles C4'-P-C4' energy: -167.056 flat angles P-C4'-P energy: -111.439 tors. eta vs tors. theta energy: -224.431 Dist. restrs. and SS energy: 0.000 (S_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: 29 Temperature: 1.000000 Total energy: -2626.227916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.227916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.227916 (E_RNA) where: Base-Base interactions energy: -1875.634 where: short stacking energy: -736.264 Base-Backbone interact. energy: -1.698 local terms energy: -748.896416 where: bonds (distance) C4'-P energy: -117.099 bonds (distance) P-C4' energy: -134.438 flat angles C4'-P-C4' energy: -163.305 flat angles P-C4'-P energy: -114.031 tors. eta vs tors. theta energy: -220.023 Dist. restrs. and SS energy: 0.000 (S_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: 29 Temperature: 1.050000 Total energy: -2622.356507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.356507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.356507 (E_RNA) where: Base-Base interactions energy: -1887.504 where: short stacking energy: -742.524 Base-Backbone interact. energy: -0.278 local terms energy: -734.574466 where: bonds (distance) C4'-P energy: -114.083 bonds (distance) P-C4' energy: -146.979 flat angles C4'-P-C4' energy: -159.784 flat angles P-C4'-P energy: -93.607 tors. eta vs tors. theta energy: -220.121 Dist. restrs. and SS energy: 0.000 (S_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: 29 Temperature: 1.100000 Total energy: -2570.751268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.751268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.751268 (E_RNA) where: Base-Base interactions energy: -1813.215 where: short stacking energy: -748.167 Base-Backbone interact. energy: 0.383 local terms energy: -757.919352 where: bonds (distance) C4'-P energy: -122.144 bonds (distance) P-C4' energy: -154.034 flat angles C4'-P-C4' energy: -153.970 flat angles P-C4'-P energy: -95.063 tors. eta vs tors. theta energy: -232.709 Dist. restrs. and SS energy: 0.000 (S_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: 29 Temperature: 1.150000 Total energy: -2538.997593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.997593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.997593 (E_RNA) where: Base-Base interactions energy: -1808.096 where: short stacking energy: -723.448 Base-Backbone interact. energy: 0.650 local terms energy: -731.550978 where: bonds (distance) C4'-P energy: -109.998 bonds (distance) P-C4' energy: -145.151 flat angles C4'-P-C4' energy: -151.154 flat angles P-C4'-P energy: -105.721 tors. eta vs tors. theta energy: -219.527 Dist. restrs. and SS energy: 0.000 (S_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: 29 Temperature: 1.200000 Total energy: -2393.132259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.132259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.132259 (E_RNA) where: Base-Base interactions energy: -1675.587 where: short stacking energy: -699.441 Base-Backbone interact. energy: -0.258 local terms energy: -717.286739 where: bonds (distance) C4'-P energy: -101.737 bonds (distance) P-C4' energy: -147.800 flat angles C4'-P-C4' energy: -148.009 flat angles P-C4'-P energy: -109.828 tors. eta vs tors. theta energy: -209.913 Dist. restrs. and SS energy: 0.000 (S_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: -2408.160510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.160510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.160510 (E_RNA) where: Base-Base interactions energy: -1718.905 where: short stacking energy: -685.641 Base-Backbone interact. energy: 1.875 local terms energy: -691.130626 where: bonds (distance) C4'-P energy: -112.323 bonds (distance) P-C4' energy: -138.143 flat angles C4'-P-C4' energy: -144.431 flat angles P-C4'-P energy: -99.491 tors. eta vs tors. theta energy: -196.744 Dist. restrs. and SS energy: 0.000 (S_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: 29 Temperature: 1.300000 Total energy: -2285.701280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.701280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.701280 (E_RNA) where: Base-Base interactions energy: -1601.443 where: short stacking energy: -646.065 Base-Backbone interact. energy: -2.301 local terms energy: -681.956392 where: bonds (distance) C4'-P energy: -110.963 bonds (distance) P-C4' energy: -135.831 flat angles C4'-P-C4' energy: -135.106 flat angles P-C4'-P energy: -107.985 tors. eta vs tors. theta energy: -192.071 Dist. restrs. and SS energy: 0.000 (S_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: 29 Temperature: 1.350000 Total energy: -2195.026447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.026447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.026447 (E_RNA) where: Base-Base interactions energy: -1546.554 where: short stacking energy: -630.948 Base-Backbone interact. energy: 3.274 local terms energy: -651.746129 where: bonds (distance) C4'-P energy: -111.346 bonds (distance) P-C4' energy: -125.484 flat angles C4'-P-C4' energy: -134.577 flat angles P-C4'-P energy: -97.367 tors. eta vs tors. theta energy: -182.972 Dist. restrs. and SS energy: 0.000 (S_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: 30 Temperature: 0.900000 Total energy: -2717.968098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.968098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.968098 (E_RNA) where: Base-Base interactions energy: -1952.241 where: short stacking energy: -768.446 Base-Backbone interact. energy: -2.387 local terms energy: -763.340174 where: bonds (distance) C4'-P energy: -124.067 bonds (distance) P-C4' energy: -148.911 flat angles C4'-P-C4' energy: -156.986 flat angles P-C4'-P energy: -106.598 tors. eta vs tors. theta energy: -226.778 Dist. restrs. and SS energy: 0.000 (S_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: 30 Temperature: 0.950000 Total energy: -2678.778398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.778398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.778398 (E_RNA) where: Base-Base interactions energy: -1926.588 where: short stacking energy: -771.675 Base-Backbone interact. energy: -2.363 local terms energy: -749.828154 where: bonds (distance) C4'-P energy: -118.101 bonds (distance) P-C4' energy: -149.134 flat angles C4'-P-C4' energy: -157.267 flat angles P-C4'-P energy: -95.870 tors. eta vs tors. theta energy: -229.457 Dist. restrs. and SS energy: 0.000 (S_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: 30 Temperature: 1.000000 Total energy: -2638.401680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.401680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.401680 (E_RNA) where: Base-Base interactions energy: -1898.038 where: short stacking energy: -750.477 Base-Backbone interact. energy: -1.628 local terms energy: -738.735985 where: bonds (distance) C4'-P energy: -116.349 bonds (distance) P-C4' energy: -141.946 flat angles C4'-P-C4' energy: -154.132 flat angles P-C4'-P energy: -107.778 tors. eta vs tors. theta energy: -218.531 Dist. restrs. and SS energy: 0.000 (S_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: 30 Temperature: 1.050000 Total energy: -2616.289800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.289800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.289800 (E_RNA) where: Base-Base interactions energy: -1875.981 where: short stacking energy: -725.280 Base-Backbone interact. energy: 0.041 local terms energy: -740.350565 where: bonds (distance) C4'-P energy: -115.495 bonds (distance) P-C4' energy: -140.135 flat angles C4'-P-C4' energy: -160.126 flat angles P-C4'-P energy: -101.319 tors. eta vs tors. theta energy: -223.276 Dist. restrs. and SS energy: 0.000 (S_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: 30 Temperature: 1.100000 Total energy: -2541.293192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.293192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.293192 (E_RNA) where: Base-Base interactions energy: -1812.020 where: short stacking energy: -712.735 Base-Backbone interact. energy: -1.263 local terms energy: -728.010887 where: bonds (distance) C4'-P energy: -112.309 bonds (distance) P-C4' energy: -145.520 flat angles C4'-P-C4' energy: -155.708 flat angles P-C4'-P energy: -93.286 tors. eta vs tors. theta energy: -221.188 Dist. restrs. and SS energy: 0.000 (S_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: 30 Temperature: 1.150000 Total energy: -2538.881870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.881870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.881870 (E_RNA) where: Base-Base interactions energy: -1806.058 where: short stacking energy: -727.038 Base-Backbone interact. energy: -1.404 local terms energy: -731.419095 where: bonds (distance) C4'-P energy: -107.352 bonds (distance) P-C4' energy: -141.989 flat angles C4'-P-C4' energy: -147.217 flat angles P-C4'-P energy: -108.176 tors. eta vs tors. theta energy: -226.685 Dist. restrs. and SS energy: 0.000 (S_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: -2399.303374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.303374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.303374 (E_RNA) where: Base-Base interactions energy: -1689.615 where: short stacking energy: -673.520 Base-Backbone interact. energy: -1.167 local terms energy: -708.521912 where: bonds (distance) C4'-P energy: -94.118 bonds (distance) P-C4' energy: -150.386 flat angles C4'-P-C4' energy: -157.488 flat angles P-C4'-P energy: -107.918 tors. eta vs tors. theta energy: -198.611 Dist. restrs. and SS energy: 0.000 (S_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: 30 Temperature: 1.250000 Total energy: -2377.718508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.718508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.718508 (E_RNA) where: Base-Base interactions energy: -1682.229 where: short stacking energy: -683.340 Base-Backbone interact. energy: -2.298 local terms energy: -693.191662 where: bonds (distance) C4'-P energy: -118.193 bonds (distance) P-C4' energy: -129.374 flat angles C4'-P-C4' energy: -144.616 flat angles P-C4'-P energy: -96.556 tors. eta vs tors. theta energy: -204.454 Dist. restrs. and SS energy: 0.000 (S_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: 30 Temperature: 1.300000 Total energy: -2356.028141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.028141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.028141 (E_RNA) where: Base-Base interactions energy: -1665.766 where: short stacking energy: -670.837 Base-Backbone interact. energy: 1.169 local terms energy: -691.430541 where: bonds (distance) C4'-P energy: -113.716 bonds (distance) P-C4' energy: -135.474 flat angles C4'-P-C4' energy: -151.879 flat angles P-C4'-P energy: -85.995 tors. eta vs tors. theta energy: -204.366 Dist. restrs. and SS energy: 0.000 (S_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: 30 Temperature: 1.350000 Total energy: -2193.085958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.085958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.085958 (E_RNA) where: Base-Base interactions energy: -1523.225 where: short stacking energy: -626.235 Base-Backbone interact. energy: -1.647 local terms energy: -668.213725 where: bonds (distance) C4'-P energy: -105.644 bonds (distance) P-C4' energy: -133.956 flat angles C4'-P-C4' energy: -140.128 flat angles P-C4'-P energy: -94.152 tors. eta vs tors. theta energy: -194.334 Dist. restrs. and SS energy: 0.000 (S_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: 31 Temperature: 0.900000 Total energy: -2705.583850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.583850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.583850 (E_RNA) where: Base-Base interactions energy: -1945.885 where: short stacking energy: -768.633 Base-Backbone interact. energy: -1.492 local terms energy: -758.206661 where: bonds (distance) C4'-P energy: -118.428 bonds (distance) P-C4' energy: -156.006 flat angles C4'-P-C4' energy: -158.491 flat angles P-C4'-P energy: -102.466 tors. eta vs tors. theta energy: -222.816 Dist. restrs. and SS energy: 0.000 (S_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: 31 Temperature: 0.950000 Total energy: -2671.789766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.789766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.789766 (E_RNA) where: Base-Base interactions energy: -1907.994 where: short stacking energy: -762.114 Base-Backbone interact. energy: -2.136 local terms energy: -761.659511 where: bonds (distance) C4'-P energy: -119.950 bonds (distance) P-C4' energy: -149.557 flat angles C4'-P-C4' energy: -155.297 flat angles P-C4'-P energy: -113.283 tors. eta vs tors. theta energy: -223.571 Dist. restrs. and SS energy: 0.000 (S_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: 31 Temperature: 1.000000 Total energy: -2643.780145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.780145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.780145 (E_RNA) where: Base-Base interactions energy: -1895.330 where: short stacking energy: -754.280 Base-Backbone interact. energy: -1.956 local terms energy: -746.494781 where: bonds (distance) C4'-P energy: -105.708 bonds (distance) P-C4' energy: -150.415 flat angles C4'-P-C4' energy: -162.023 flat angles P-C4'-P energy: -98.630 tors. eta vs tors. theta energy: -229.719 Dist. restrs. and SS energy: 0.000 (S_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: 31 Temperature: 1.050000 Total energy: -2600.849102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.849102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.849102 (E_RNA) where: Base-Base interactions energy: -1841.617 where: short stacking energy: -744.999 Base-Backbone interact. energy: -1.226 local terms energy: -758.006336 where: bonds (distance) C4'-P energy: -114.478 bonds (distance) P-C4' energy: -152.070 flat angles C4'-P-C4' energy: -159.934 flat angles P-C4'-P energy: -111.464 tors. eta vs tors. theta energy: -220.060 Dist. restrs. and SS energy: 0.000 (S_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: 31 Temperature: 1.100000 Total energy: -2553.126076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.126076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.126076 (E_RNA) where: Base-Base interactions energy: -1827.604 where: short stacking energy: -721.373 Base-Backbone interact. energy: -2.777 local terms energy: -722.745151 where: bonds (distance) C4'-P energy: -115.653 bonds (distance) P-C4' energy: -138.539 flat angles C4'-P-C4' energy: -152.591 flat angles P-C4'-P energy: -102.807 tors. eta vs tors. theta energy: -213.155 Dist. restrs. and SS energy: 0.000 (S_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: 31 Temperature: 1.150000 Total energy: -2529.961366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.961366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.961366 (E_RNA) where: Base-Base interactions energy: -1805.120 where: short stacking energy: -729.416 Base-Backbone interact. energy: -0.638 local terms energy: -724.204044 where: bonds (distance) C4'-P energy: -113.353 bonds (distance) P-C4' energy: -144.785 flat angles C4'-P-C4' energy: -148.474 flat angles P-C4'-P energy: -95.908 tors. eta vs tors. theta energy: -221.685 Dist. restrs. and SS energy: 0.000 (S_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: 31 Temperature: 1.200000 Total energy: -2391.673579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.673579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.673579 (E_RNA) where: Base-Base interactions energy: -1699.943 where: short stacking energy: -699.225 Base-Backbone interact. energy: -2.330 local terms energy: -689.401011 where: bonds (distance) C4'-P energy: -109.478 bonds (distance) P-C4' energy: -143.970 flat angles C4'-P-C4' energy: -141.667 flat angles P-C4'-P energy: -85.487 tors. eta vs tors. theta energy: -208.798 Dist. restrs. and SS energy: 0.000 (S_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: 31 Temperature: 1.250000 Total energy: -2366.141563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.141563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.141563 (E_RNA) where: Base-Base interactions energy: -1667.217 where: short stacking energy: -666.180 Base-Backbone interact. energy: -2.936 local terms energy: -695.988412 where: bonds (distance) C4'-P energy: -117.200 bonds (distance) P-C4' energy: -138.148 flat angles C4'-P-C4' energy: -153.459 flat angles P-C4'-P energy: -88.771 tors. eta vs tors. theta energy: -198.410 Dist. restrs. and SS energy: 0.000 (S_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: 31 Temperature: 1.300000 Total energy: -2320.947679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.947679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.947679 (E_RNA) where: Base-Base interactions energy: -1640.139 where: short stacking energy: -662.252 Base-Backbone interact. energy: -0.469 local terms energy: -680.339339 where: bonds (distance) C4'-P energy: -98.690 bonds (distance) P-C4' energy: -137.482 flat angles C4'-P-C4' energy: -145.970 flat angles P-C4'-P energy: -97.392 tors. eta vs tors. theta energy: -200.805 Dist. restrs. and SS energy: 0.000 (S_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: 31 Temperature: 1.350000 Total energy: -2191.499058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.499058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.499058 (E_RNA) where: Base-Base interactions energy: -1518.193 where: short stacking energy: -627.966 Base-Backbone interact. energy: -0.913 local terms energy: -672.393039 where: bonds (distance) C4'-P energy: -105.767 bonds (distance) P-C4' energy: -139.089 flat angles C4'-P-C4' energy: -141.347 flat angles P-C4'-P energy: -98.135 tors. eta vs tors. theta energy: -188.055 Dist. restrs. and SS energy: 0.000 (S_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: 32 Temperature: 0.900000 Total energy: -2700.822632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.822632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.822632 (E_RNA) where: Base-Base interactions energy: -1939.963 where: short stacking energy: -768.767 Base-Backbone interact. energy: -2.580 local terms energy: -758.280234 where: bonds (distance) C4'-P energy: -121.561 bonds (distance) P-C4' energy: -137.733 flat angles C4'-P-C4' energy: -161.888 flat angles P-C4'-P energy: -115.693 tors. eta vs tors. theta energy: -221.406 Dist. restrs. and SS energy: 0.000 (S_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: 32 Temperature: 0.950000 Total energy: -2686.131716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.131716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.131716 (E_RNA) where: Base-Base interactions energy: -1925.241 where: short stacking energy: -745.833 Base-Backbone interact. energy: -0.983 local terms energy: -759.907681 where: bonds (distance) C4'-P energy: -125.681 bonds (distance) P-C4' energy: -146.503 flat angles C4'-P-C4' energy: -157.563 flat angles P-C4'-P energy: -107.256 tors. eta vs tors. theta energy: -222.904 Dist. restrs. and SS energy: 0.000 (S_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: 32 Temperature: 1.000000 Total energy: -2649.233693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.233693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.233693 (E_RNA) where: Base-Base interactions energy: -1883.809 where: short stacking energy: -748.751 Base-Backbone interact. energy: -0.656 local terms energy: -764.768524 where: bonds (distance) C4'-P energy: -122.166 bonds (distance) P-C4' energy: -150.260 flat angles C4'-P-C4' energy: -157.738 flat angles P-C4'-P energy: -111.832 tors. eta vs tors. theta energy: -222.773 Dist. restrs. and SS energy: 0.000 (S_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: 32 Temperature: 1.050000 Total energy: -2609.433351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.433351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.433351 (E_RNA) where: Base-Base interactions energy: -1857.202 where: short stacking energy: -740.867 Base-Backbone interact. energy: -3.077 local terms energy: -749.154661 where: bonds (distance) C4'-P energy: -122.092 bonds (distance) P-C4' energy: -147.525 flat angles C4'-P-C4' energy: -144.394 flat angles P-C4'-P energy: -110.108 tors. eta vs tors. theta energy: -225.035 Dist. restrs. and SS energy: 0.000 (S_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: 32 Temperature: 1.100000 Total energy: -2543.270228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.270228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.270228 (E_RNA) where: Base-Base interactions energy: -1798.868 where: short stacking energy: -714.514 Base-Backbone interact. energy: -0.829 local terms energy: -743.573341 where: bonds (distance) C4'-P energy: -111.178 bonds (distance) P-C4' energy: -156.422 flat angles C4'-P-C4' energy: -159.679 flat angles P-C4'-P energy: -99.691 tors. eta vs tors. theta energy: -216.603 Dist. restrs. and SS energy: 0.000 (S_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: 32 Temperature: 1.150000 Total energy: -2513.313771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.313771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.313771 (E_RNA) where: Base-Base interactions energy: -1776.815 where: short stacking energy: -723.380 Base-Backbone interact. energy: 0.255 local terms energy: -736.753332 where: bonds (distance) C4'-P energy: -113.496 bonds (distance) P-C4' energy: -138.167 flat angles C4'-P-C4' energy: -155.487 flat angles P-C4'-P energy: -110.029 tors. eta vs tors. theta energy: -219.575 Dist. restrs. and SS energy: 0.000 (S_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: 32 Temperature: 1.200000 Total energy: -2392.177242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.177242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.177242 (E_RNA) where: Base-Base interactions energy: -1688.901 where: short stacking energy: -681.710 Base-Backbone interact. energy: -2.156 local terms energy: -701.119845 where: bonds (distance) C4'-P energy: -110.517 bonds (distance) P-C4' energy: -152.104 flat angles C4'-P-C4' energy: -139.082 flat angles P-C4'-P energy: -95.836 tors. eta vs tors. theta energy: -203.581 Dist. restrs. and SS energy: 0.000 (S_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: 32 Temperature: 1.250000 Total energy: -2417.683033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.683033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.683033 (E_RNA) where: Base-Base interactions energy: -1711.478 where: short stacking energy: -682.722 Base-Backbone interact. energy: 1.885 local terms energy: -708.090625 where: bonds (distance) C4'-P energy: -110.489 bonds (distance) P-C4' energy: -141.316 flat angles C4'-P-C4' energy: -154.048 flat angles P-C4'-P energy: -94.283 tors. eta vs tors. theta energy: -207.953 Dist. restrs. and SS energy: 0.000 (S_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: 32 Temperature: 1.300000 Total energy: -2258.674172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.674172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.674172 (E_RNA) where: Base-Base interactions energy: -1609.050 where: short stacking energy: -658.601 Base-Backbone interact. energy: 3.541 local terms energy: -653.164885 where: bonds (distance) C4'-P energy: -105.387 bonds (distance) P-C4' energy: -133.151 flat angles C4'-P-C4' energy: -141.740 flat angles P-C4'-P energy: -77.423 tors. eta vs tors. theta energy: -195.463 Dist. restrs. and SS energy: 0.000 (S_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: 32 Temperature: 1.350000 Total energy: -2162.557891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.557891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.557891 (E_RNA) where: Base-Base interactions energy: -1519.382 where: short stacking energy: -628.239 Base-Backbone interact. energy: -1.478 local terms energy: -641.698054 where: bonds (distance) C4'-P energy: -104.233 bonds (distance) P-C4' energy: -143.958 flat angles C4'-P-C4' energy: -129.306 flat angles P-C4'-P energy: -86.464 tors. eta vs tors. theta energy: -177.737 Dist. restrs. and SS energy: 0.000 (S_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: 33 Temperature: 0.900000 Total energy: -2699.245887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.245887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.245887 (E_RNA) where: Base-Base interactions energy: -1917.799 where: short stacking energy: -761.275 Base-Backbone interact. energy: -2.098 local terms energy: -779.349166 where: bonds (distance) C4'-P energy: -134.567 bonds (distance) P-C4' energy: -152.237 flat angles C4'-P-C4' energy: -156.005 flat angles P-C4'-P energy: -111.429 tors. eta vs tors. theta energy: -225.111 Dist. restrs. and SS energy: 0.000 (S_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: 33 Temperature: 0.950000 Total energy: -2667.967781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.967781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.967781 (E_RNA) where: Base-Base interactions energy: -1917.158 where: short stacking energy: -768.921 Base-Backbone interact. energy: -0.626 local terms energy: -750.183568 where: bonds (distance) C4'-P energy: -112.241 bonds (distance) P-C4' energy: -144.969 flat angles C4'-P-C4' energy: -153.898 flat angles P-C4'-P energy: -113.481 tors. eta vs tors. theta energy: -225.595 Dist. restrs. and SS energy: 0.000 (S_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: 33 Temperature: 1.000000 Total energy: -2658.775112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.775112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.775112 (E_RNA) where: Base-Base interactions energy: -1903.869 where: short stacking energy: -744.360 Base-Backbone interact. energy: -5.539 local terms energy: -749.367067 where: bonds (distance) C4'-P energy: -124.002 bonds (distance) P-C4' energy: -143.094 flat angles C4'-P-C4' energy: -159.250 flat angles P-C4'-P energy: -103.953 tors. eta vs tors. theta energy: -219.068 Dist. restrs. and SS energy: 0.000 (S_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: 33 Temperature: 1.050000 Total energy: -2616.474416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.474416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.474416 (E_RNA) where: Base-Base interactions energy: -1867.306 where: short stacking energy: -757.062 Base-Backbone interact. energy: 0.115 local terms energy: -749.283797 where: bonds (distance) C4'-P energy: -112.497 bonds (distance) P-C4' energy: -145.835 flat angles C4'-P-C4' energy: -153.697 flat angles P-C4'-P energy: -107.399 tors. eta vs tors. theta energy: -229.855 Dist. restrs. and SS energy: 0.000 (S_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: 33 Temperature: 1.100000 Total energy: -2548.699653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.699653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.699653 (E_RNA) where: Base-Base interactions energy: -1808.473 where: short stacking energy: -715.595 Base-Backbone interact. energy: -2.398 local terms energy: -737.828952 where: bonds (distance) C4'-P energy: -116.856 bonds (distance) P-C4' energy: -136.952 flat angles C4'-P-C4' energy: -158.392 flat angles P-C4'-P energy: -107.315 tors. eta vs tors. theta energy: -218.315 Dist. restrs. and SS energy: 0.000 (S_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: 33 Temperature: 1.150000 Total energy: -2515.935928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.935928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.935928 (E_RNA) where: Base-Base interactions energy: -1800.435 where: short stacking energy: -726.160 Base-Backbone interact. energy: -1.173 local terms energy: -714.328128 where: bonds (distance) C4'-P energy: -109.845 bonds (distance) P-C4' energy: -137.159 flat angles C4'-P-C4' energy: -152.760 flat angles P-C4'-P energy: -97.112 tors. eta vs tors. theta energy: -217.452 Dist. restrs. and SS energy: 0.000 (S_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: 33 Temperature: 1.200000 Total energy: -2421.356979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.356979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.356979 (E_RNA) where: Base-Base interactions energy: -1714.846 where: short stacking energy: -690.963 Base-Backbone interact. energy: 0.592 local terms energy: -707.103122 where: bonds (distance) C4'-P energy: -115.941 bonds (distance) P-C4' energy: -138.863 flat angles C4'-P-C4' energy: -148.334 flat angles P-C4'-P energy: -102.307 tors. eta vs tors. theta energy: -201.658 Dist. restrs. and SS energy: 0.000 (S_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: 33 Temperature: 1.250000 Total energy: -2377.611071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.611071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.611071 (E_RNA) where: Base-Base interactions energy: -1690.243 where: short stacking energy: -665.610 Base-Backbone interact. energy: -2.849 local terms energy: -684.518926 where: bonds (distance) C4'-P energy: -101.535 bonds (distance) P-C4' energy: -140.363 flat angles C4'-P-C4' energy: -137.958 flat angles P-C4'-P energy: -105.049 tors. eta vs tors. theta energy: -199.614 Dist. restrs. and SS energy: 0.000 (S_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: 33 Temperature: 1.300000 Total energy: -2249.796657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.796657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.796657 (E_RNA) where: Base-Base interactions energy: -1613.244 where: short stacking energy: -653.566 Base-Backbone interact. energy: -2.367 local terms energy: -634.186274 where: bonds (distance) C4'-P energy: -90.188 bonds (distance) P-C4' energy: -116.417 flat angles C4'-P-C4' energy: -148.658 flat angles P-C4'-P energy: -92.824 tors. eta vs tors. theta energy: -186.100 Dist. restrs. and SS energy: 0.000 (S_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: 33 Temperature: 1.350000 Total energy: -2216.123790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.123790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.123790 (E_RNA) where: Base-Base interactions energy: -1576.451 where: short stacking energy: -637.727 Base-Backbone interact. energy: -1.618 local terms energy: -638.055280 where: bonds (distance) C4'-P energy: -97.284 bonds (distance) P-C4' energy: -121.308 flat angles C4'-P-C4' energy: -145.133 flat angles P-C4'-P energy: -93.515 tors. eta vs tors. theta energy: -180.815 Dist. restrs. and SS energy: 0.000 (S_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: 34 Temperature: 0.900000 Total energy: -2677.433363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.433363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.433363 (E_RNA) where: Base-Base interactions energy: -1908.460 where: short stacking energy: -766.706 Base-Backbone interact. energy: -1.434 local terms energy: -767.539304 where: bonds (distance) C4'-P energy: -123.612 bonds (distance) P-C4' energy: -154.545 flat angles C4'-P-C4' energy: -146.534 flat angles P-C4'-P energy: -113.536 tors. eta vs tors. theta energy: -229.312 Dist. restrs. and SS energy: 0.000 (S_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: 34 Temperature: 0.950000 Total energy: -2664.771141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.771141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.771141 (E_RNA) where: Base-Base interactions energy: -1915.426 where: short stacking energy: -746.830 Base-Backbone interact. energy: -2.381 local terms energy: -746.963886 where: bonds (distance) C4'-P energy: -113.157 bonds (distance) P-C4' energy: -148.896 flat angles C4'-P-C4' energy: -152.063 flat angles P-C4'-P energy: -111.032 tors. eta vs tors. theta energy: -221.817 Dist. restrs. and SS energy: 0.000 (S_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: 34 Temperature: 1.000000 Total energy: -2662.444333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.444333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.444333 (E_RNA) where: Base-Base interactions energy: -1913.569 where: short stacking energy: -763.754 Base-Backbone interact. energy: -1.898 local terms energy: -746.977384 where: bonds (distance) C4'-P energy: -109.175 bonds (distance) P-C4' energy: -150.007 flat angles C4'-P-C4' energy: -153.168 flat angles P-C4'-P energy: -115.682 tors. eta vs tors. theta energy: -218.946 Dist. restrs. and SS energy: 0.000 (S_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: 34 Temperature: 1.050000 Total energy: -2602.177434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.177434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.177434 (E_RNA) where: Base-Base interactions energy: -1848.922 where: short stacking energy: -735.724 Base-Backbone interact. energy: -2.102 local terms energy: -751.152832 where: bonds (distance) C4'-P energy: -113.482 bonds (distance) P-C4' energy: -142.639 flat angles C4'-P-C4' energy: -158.192 flat angles P-C4'-P energy: -111.413 tors. eta vs tors. theta energy: -225.428 Dist. restrs. and SS energy: 0.000 (S_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: 34 Temperature: 1.100000 Total energy: -2591.754223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.754223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.754223 (E_RNA) where: Base-Base interactions energy: -1843.752 where: short stacking energy: -731.284 Base-Backbone interact. energy: -2.537 local terms energy: -745.465001 where: bonds (distance) C4'-P energy: -113.602 bonds (distance) P-C4' energy: -152.381 flat angles C4'-P-C4' energy: -156.709 flat angles P-C4'-P energy: -97.740 tors. eta vs tors. theta energy: -225.033 Dist. restrs. and SS energy: 0.000 (S_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: 34 Temperature: 1.150000 Total energy: -2539.084151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.084151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.084151 (E_RNA) where: Base-Base interactions energy: -1817.893 where: short stacking energy: -736.973 Base-Backbone interact. energy: 0.940 local terms energy: -722.131111 where: bonds (distance) C4'-P energy: -106.759 bonds (distance) P-C4' energy: -142.506 flat angles C4'-P-C4' energy: -146.279 flat angles P-C4'-P energy: -105.583 tors. eta vs tors. theta energy: -221.004 Dist. restrs. and SS energy: 0.000 (S_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: 34 Temperature: 1.200000 Total energy: -2421.421198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.421198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.421198 (E_RNA) where: Base-Base interactions energy: -1716.478 where: short stacking energy: -691.059 Base-Backbone interact. energy: -0.749 local terms energy: -704.194735 where: bonds (distance) C4'-P energy: -114.467 bonds (distance) P-C4' energy: -141.503 flat angles C4'-P-C4' energy: -150.710 flat angles P-C4'-P energy: -92.505 tors. eta vs tors. theta energy: -205.010 Dist. restrs. and SS energy: 0.000 (S_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: 34 Temperature: 1.250000 Total energy: -2364.320697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.320697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.320697 (E_RNA) where: Base-Base interactions energy: -1643.794 where: short stacking energy: -660.307 Base-Backbone interact. energy: -2.330 local terms energy: -718.196982 where: bonds (distance) C4'-P energy: -121.040 bonds (distance) P-C4' energy: -142.999 flat angles C4'-P-C4' energy: -146.368 flat angles P-C4'-P energy: -105.107 tors. eta vs tors. theta energy: -202.683 Dist. restrs. and SS energy: 0.000 (S_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: 34 Temperature: 1.300000 Total energy: -2246.557561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.557561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.557561 (E_RNA) where: Base-Base interactions energy: -1579.539 where: short stacking energy: -650.251 Base-Backbone interact. energy: -0.111 local terms energy: -666.907580 where: bonds (distance) C4'-P energy: -100.624 bonds (distance) P-C4' energy: -145.029 flat angles C4'-P-C4' energy: -134.525 flat angles P-C4'-P energy: -99.932 tors. eta vs tors. theta energy: -186.797 Dist. restrs. and SS energy: 0.000 (S_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: 34 Temperature: 1.350000 Total energy: -2228.402835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.402835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.402835 (E_RNA) where: Base-Base interactions energy: -1575.873 where: short stacking energy: -648.215 Base-Backbone interact. energy: -0.977 local terms energy: -651.552701 where: bonds (distance) C4'-P energy: -103.242 bonds (distance) P-C4' energy: -135.649 flat angles C4'-P-C4' energy: -129.180 flat angles P-C4'-P energy: -100.486 tors. eta vs tors. theta energy: -182.996 Dist. restrs. and SS energy: 0.000 (S_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: 35 Temperature: 0.900000 Total energy: -2710.027651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.027651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.027651 (E_RNA) where: Base-Base interactions energy: -1917.214 where: short stacking energy: -766.725 Base-Backbone interact. energy: -2.046 local terms energy: -790.767450 where: bonds (distance) C4'-P energy: -131.989 bonds (distance) P-C4' energy: -157.864 flat angles C4'-P-C4' energy: -158.847 flat angles P-C4'-P energy: -114.250 tors. eta vs tors. theta energy: -227.817 Dist. restrs. and SS energy: 0.000 (S_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: 35 Temperature: 0.950000 Total energy: -2691.817065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.817065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.817065 (E_RNA) where: Base-Base interactions energy: -1923.169 where: short stacking energy: -760.027 Base-Backbone interact. energy: -1.913 local terms energy: -766.734907 where: bonds (distance) C4'-P energy: -117.254 bonds (distance) P-C4' energy: -152.289 flat angles C4'-P-C4' energy: -164.137 flat angles P-C4'-P energy: -108.755 tors. eta vs tors. theta energy: -224.300 Dist. restrs. and SS energy: 0.000 (S_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: 35 Temperature: 1.000000 Total energy: -2643.482353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.482353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.482353 (E_RNA) where: Base-Base interactions energy: -1887.240 where: short stacking energy: -740.376 Base-Backbone interact. energy: -0.551 local terms energy: -755.690866 where: bonds (distance) C4'-P energy: -117.873 bonds (distance) P-C4' energy: -154.689 flat angles C4'-P-C4' energy: -150.360 flat angles P-C4'-P energy: -116.357 tors. eta vs tors. theta energy: -216.411 Dist. restrs. and SS energy: 0.000 (S_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: 35 Temperature: 1.050000 Total energy: -2591.743317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.743317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.743317 (E_RNA) where: Base-Base interactions energy: -1842.260 where: short stacking energy: -734.526 Base-Backbone interact. energy: -2.625 local terms energy: -746.858445 where: bonds (distance) C4'-P energy: -109.944 bonds (distance) P-C4' energy: -158.154 flat angles C4'-P-C4' energy: -153.188 flat angles P-C4'-P energy: -93.850 tors. eta vs tors. theta energy: -231.722 Dist. restrs. and SS energy: 0.000 (S_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: 35 Temperature: 1.100000 Total energy: -2542.824037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.824037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.824037 (E_RNA) where: Base-Base interactions energy: -1802.488 where: short stacking energy: -734.790 Base-Backbone interact. energy: -1.594 local terms energy: -738.741122 where: bonds (distance) C4'-P energy: -108.815 bonds (distance) P-C4' energy: -145.284 flat angles C4'-P-C4' energy: -156.682 flat angles P-C4'-P energy: -106.893 tors. eta vs tors. theta energy: -221.067 Dist. restrs. and SS energy: 0.000 (S_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: 35 Temperature: 1.150000 Total energy: -2532.449569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.449569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.449569 (E_RNA) where: Base-Base interactions energy: -1831.778 where: short stacking energy: -723.330 Base-Backbone interact. energy: 0.046 local terms energy: -700.718413 where: bonds (distance) C4'-P energy: -101.909 bonds (distance) P-C4' energy: -134.304 flat angles C4'-P-C4' energy: -146.790 flat angles P-C4'-P energy: -99.840 tors. eta vs tors. theta energy: -217.875 Dist. restrs. and SS energy: 0.000 (S_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: 35 Temperature: 1.200000 Total energy: -2420.816674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.816674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.816674 (E_RNA) where: Base-Base interactions energy: -1705.390 where: short stacking energy: -683.647 Base-Backbone interact. energy: -2.235 local terms energy: -713.191561 where: bonds (distance) C4'-P energy: -95.956 bonds (distance) P-C4' energy: -154.946 flat angles C4'-P-C4' energy: -158.245 flat angles P-C4'-P energy: -96.198 tors. eta vs tors. theta energy: -207.847 Dist. restrs. and SS energy: 0.000 (S_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: 35 Temperature: 1.250000 Total energy: -2341.602445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.602445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.602445 (E_RNA) where: Base-Base interactions energy: -1643.539 where: short stacking energy: -677.404 Base-Backbone interact. energy: 0.372 local terms energy: -698.435399 where: bonds (distance) C4'-P energy: -110.004 bonds (distance) P-C4' energy: -141.324 flat angles C4'-P-C4' energy: -150.188 flat angles P-C4'-P energy: -88.884 tors. eta vs tors. theta energy: -208.035 Dist. restrs. and SS energy: 0.000 (S_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: 35 Temperature: 1.300000 Total energy: -2235.259620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.259620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.259620 (E_RNA) where: Base-Base interactions energy: -1547.240 where: short stacking energy: -625.230 Base-Backbone interact. energy: -2.186 local terms energy: -685.833375 where: bonds (distance) C4'-P energy: -117.642 bonds (distance) P-C4' energy: -146.380 flat angles C4'-P-C4' energy: -146.787 flat angles P-C4'-P energy: -93.764 tors. eta vs tors. theta energy: -181.261 Dist. restrs. and SS energy: 0.000 (S_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: 35 Temperature: 1.350000 Total energy: -2186.542220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.542220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.542220 (E_RNA) where: Base-Base interactions energy: -1548.715 where: short stacking energy: -609.631 Base-Backbone interact. energy: -0.978 local terms energy: -636.849610 where: bonds (distance) C4'-P energy: -94.195 bonds (distance) P-C4' energy: -136.976 flat angles C4'-P-C4' energy: -139.781 flat angles P-C4'-P energy: -91.556 tors. eta vs tors. theta energy: -174.341 Dist. restrs. and SS energy: 0.000 (S_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: 36 Temperature: 0.900000 Total energy: -2693.878984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.878984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.878984 (E_RNA) where: Base-Base interactions energy: -1922.973 where: short stacking energy: -767.358 Base-Backbone interact. energy: -0.765 local terms energy: -770.141189 where: bonds (distance) C4'-P energy: -119.976 bonds (distance) P-C4' energy: -167.382 flat angles C4'-P-C4' energy: -153.344 flat angles P-C4'-P energy: -105.079 tors. eta vs tors. theta energy: -224.361 Dist. restrs. and SS energy: 0.000 (S_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: 36 Temperature: 0.950000 Total energy: -2672.515733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.515733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.515733 (E_RNA) where: Base-Base interactions energy: -1903.993 where: short stacking energy: -743.496 Base-Backbone interact. energy: -3.778 local terms energy: -764.745267 where: bonds (distance) C4'-P energy: -125.932 bonds (distance) P-C4' energy: -153.988 flat angles C4'-P-C4' energy: -162.162 flat angles P-C4'-P energy: -105.611 tors. eta vs tors. theta energy: -217.052 Dist. restrs. and SS energy: 0.000 (S_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: 36 Temperature: 1.000000 Total energy: -2628.392351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.392351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.392351 (E_RNA) where: Base-Base interactions energy: -1879.367 where: short stacking energy: -738.630 Base-Backbone interact. energy: -2.836 local terms energy: -746.189211 where: bonds (distance) C4'-P energy: -109.455 bonds (distance) P-C4' energy: -153.274 flat angles C4'-P-C4' energy: -160.039 flat angles P-C4'-P energy: -105.624 tors. eta vs tors. theta energy: -217.798 Dist. restrs. and SS energy: 0.000 (S_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: 36 Temperature: 1.050000 Total energy: -2625.699269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.699269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.699269 (E_RNA) where: Base-Base interactions energy: -1865.116 where: short stacking energy: -743.190 Base-Backbone interact. energy: -1.264 local terms energy: -759.318578 where: bonds (distance) C4'-P energy: -115.952 bonds (distance) P-C4' energy: -138.548 flat angles C4'-P-C4' energy: -166.077 flat angles P-C4'-P energy: -109.167 tors. eta vs tors. theta energy: -229.575 Dist. restrs. and SS energy: 0.000 (S_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: 36 Temperature: 1.100000 Total energy: -2552.558962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.558962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.558962 (E_RNA) where: Base-Base interactions energy: -1817.622 where: short stacking energy: -723.192 Base-Backbone interact. energy: -1.400 local terms energy: -733.536470 where: bonds (distance) C4'-P energy: -110.673 bonds (distance) P-C4' energy: -149.035 flat angles C4'-P-C4' energy: -154.422 flat angles P-C4'-P energy: -104.765 tors. eta vs tors. theta energy: -214.641 Dist. restrs. and SS energy: 0.000 (S_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: 36 Temperature: 1.150000 Total energy: -2526.124952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.124952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.124952 (E_RNA) where: Base-Base interactions energy: -1802.672 where: short stacking energy: -728.194 Base-Backbone interact. energy: -2.709 local terms energy: -720.743474 where: bonds (distance) C4'-P energy: -112.820 bonds (distance) P-C4' energy: -135.911 flat angles C4'-P-C4' energy: -158.023 flat angles P-C4'-P energy: -90.995 tors. eta vs tors. theta energy: -222.995 Dist. restrs. and SS energy: 0.000 (S_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: 36 Temperature: 1.200000 Total energy: -2474.485148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.485148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.485148 (E_RNA) where: Base-Base interactions energy: -1752.950 where: short stacking energy: -701.728 Base-Backbone interact. energy: -0.278 local terms energy: -721.256453 where: bonds (distance) C4'-P energy: -114.035 bonds (distance) P-C4' energy: -146.480 flat angles C4'-P-C4' energy: -147.975 flat angles P-C4'-P energy: -102.911 tors. eta vs tors. theta energy: -209.855 Dist. restrs. and SS energy: 0.000 (S_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: 36 Temperature: 1.250000 Total energy: -2356.620065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.620065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.620065 (E_RNA) where: Base-Base interactions energy: -1670.039 where: short stacking energy: -684.777 Base-Backbone interact. energy: -1.344 local terms energy: -685.237366 where: bonds (distance) C4'-P energy: -102.778 bonds (distance) P-C4' energy: -144.291 flat angles C4'-P-C4' energy: -139.827 flat angles P-C4'-P energy: -98.108 tors. eta vs tors. theta energy: -200.234 Dist. restrs. and SS energy: 0.000 (S_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: 36 Temperature: 1.300000 Total energy: -2223.664700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.664700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.664700 (E_RNA) where: Base-Base interactions energy: -1583.448 where: short stacking energy: -635.312 Base-Backbone interact. energy: 1.533 local terms energy: -641.749124 where: bonds (distance) C4'-P energy: -98.581 bonds (distance) P-C4' energy: -133.517 flat angles C4'-P-C4' energy: -134.535 flat angles P-C4'-P energy: -93.432 tors. eta vs tors. theta energy: -181.685 Dist. restrs. and SS energy: 0.000 (S_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: 36 Temperature: 1.350000 Total energy: -2149.187188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.187188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.187188 (E_RNA) where: Base-Base interactions energy: -1502.216 where: short stacking energy: -606.910 Base-Backbone interact. energy: 1.507 local terms energy: -648.478623 where: bonds (distance) C4'-P energy: -104.504 bonds (distance) P-C4' energy: -137.263 flat angles C4'-P-C4' energy: -143.847 flat angles P-C4'-P energy: -88.740 tors. eta vs tors. theta energy: -174.125 Dist. restrs. and SS energy: 0.000 (S_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: 37 Temperature: 0.900000 Total energy: -2691.416465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.416465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.416465 (E_RNA) where: Base-Base interactions energy: -1914.091 where: short stacking energy: -763.309 Base-Backbone interact. energy: -2.224 local terms energy: -775.101362 where: bonds (distance) C4'-P energy: -116.268 bonds (distance) P-C4' energy: -156.774 flat angles C4'-P-C4' energy: -158.007 flat angles P-C4'-P energy: -117.072 tors. eta vs tors. theta energy: -226.979 Dist. restrs. and SS energy: 0.000 (S_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: 37 Temperature: 0.950000 Total energy: -2687.453650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.453650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.453650 (E_RNA) where: Base-Base interactions energy: -1939.717 where: short stacking energy: -757.128 Base-Backbone interact. energy: -2.006 local terms energy: -745.731350 where: bonds (distance) C4'-P energy: -118.916 bonds (distance) P-C4' energy: -147.297 flat angles C4'-P-C4' energy: -156.136 flat angles P-C4'-P energy: -100.211 tors. eta vs tors. theta energy: -223.171 Dist. restrs. and SS energy: 0.000 (S_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: 37 Temperature: 1.000000 Total energy: -2641.446032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.446032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.446032 (E_RNA) where: Base-Base interactions energy: -1896.265 where: short stacking energy: -745.116 Base-Backbone interact. energy: -2.244 local terms energy: -742.936228 where: bonds (distance) C4'-P energy: -121.211 bonds (distance) P-C4' energy: -144.574 flat angles C4'-P-C4' energy: -159.131 flat angles P-C4'-P energy: -103.959 tors. eta vs tors. theta energy: -214.062 Dist. restrs. and SS energy: 0.000 (S_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: -2629.176565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.176565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.176565 (E_RNA) where: Base-Base interactions energy: -1908.609 where: short stacking energy: -749.803 Base-Backbone interact. energy: 1.201 local terms energy: -721.768706 where: bonds (distance) C4'-P energy: -95.560 bonds (distance) P-C4' energy: -142.193 flat angles C4'-P-C4' energy: -156.080 flat angles P-C4'-P energy: -106.577 tors. eta vs tors. theta energy: -221.359 Dist. restrs. and SS energy: 0.000 (S_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: 37 Temperature: 1.100000 Total energy: -2565.381033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.381033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.381033 (E_RNA) where: Base-Base interactions energy: -1824.138 where: short stacking energy: -743.356 Base-Backbone interact. energy: 4.219 local terms energy: -745.462372 where: bonds (distance) C4'-P energy: -116.245 bonds (distance) P-C4' energy: -149.433 flat angles C4'-P-C4' energy: -144.051 flat angles P-C4'-P energy: -112.356 tors. eta vs tors. theta energy: -223.378 Dist. restrs. and SS energy: 0.000 (S_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: 37 Temperature: 1.150000 Total energy: -2530.073401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.073401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.073401 (E_RNA) where: Base-Base interactions energy: -1799.040 where: short stacking energy: -720.047 Base-Backbone interact. energy: -2.364 local terms energy: -728.668984 where: bonds (distance) C4'-P energy: -123.314 bonds (distance) P-C4' energy: -136.679 flat angles C4'-P-C4' energy: -153.259 flat angles P-C4'-P energy: -98.413 tors. eta vs tors. theta energy: -217.004 Dist. restrs. and SS energy: 0.000 (S_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: 37 Temperature: 1.200000 Total energy: -2441.633906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.633906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.633906 (E_RNA) where: Base-Base interactions energy: -1729.922 where: short stacking energy: -684.007 Base-Backbone interact. energy: 0.721 local terms energy: -712.433277 where: bonds (distance) C4'-P energy: -100.573 bonds (distance) P-C4' energy: -147.153 flat angles C4'-P-C4' energy: -154.831 flat angles P-C4'-P energy: -94.306 tors. eta vs tors. theta energy: -215.570 Dist. restrs. and SS energy: 0.000 (S_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: 37 Temperature: 1.250000 Total energy: -2316.342137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.342137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.342137 (E_RNA) where: Base-Base interactions energy: -1634.158 where: short stacking energy: -672.723 Base-Backbone interact. energy: -1.706 local terms energy: -680.478116 where: bonds (distance) C4'-P energy: -99.018 bonds (distance) P-C4' energy: -133.114 flat angles C4'-P-C4' energy: -144.473 flat angles P-C4'-P energy: -103.735 tors. eta vs tors. theta energy: -200.138 Dist. restrs. and SS energy: 0.000 (S_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: 37 Temperature: 1.300000 Total energy: -2338.500899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.500899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.500899 (E_RNA) where: Base-Base interactions energy: -1648.119 where: short stacking energy: -661.148 Base-Backbone interact. energy: -3.581 local terms energy: -686.800793 where: bonds (distance) C4'-P energy: -105.773 bonds (distance) P-C4' energy: -132.873 flat angles C4'-P-C4' energy: -144.032 flat angles P-C4'-P energy: -105.755 tors. eta vs tors. theta energy: -198.370 Dist. restrs. and SS energy: 0.000 (S_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: 37 Temperature: 1.350000 Total energy: -2144.534867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.534867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.534867 (E_RNA) where: Base-Base interactions energy: -1508.880 where: short stacking energy: -609.710 Base-Backbone interact. energy: 2.000 local terms energy: -637.654617 where: bonds (distance) C4'-P energy: -90.669 bonds (distance) P-C4' energy: -144.091 flat angles C4'-P-C4' energy: -131.570 flat angles P-C4'-P energy: -91.720 tors. eta vs tors. theta energy: -179.605 Dist. restrs. and SS energy: 0.000 (S_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: 38 Temperature: 0.900000 Total energy: -2724.029058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.029058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.029058 (E_RNA) where: Base-Base interactions energy: -1947.942 where: short stacking energy: -775.789 Base-Backbone interact. energy: 0.547 local terms energy: -776.634015 where: bonds (distance) C4'-P energy: -127.688 bonds (distance) P-C4' energy: -156.293 flat angles C4'-P-C4' energy: -157.475 flat angles P-C4'-P energy: -107.978 tors. eta vs tors. theta energy: -227.200 Dist. restrs. and SS energy: 0.000 (S_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: 38 Temperature: 0.950000 Total energy: -2642.181117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.181117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.181117 (E_RNA) where: Base-Base interactions energy: -1888.421 where: short stacking energy: -759.110 Base-Backbone interact. energy: -1.300 local terms energy: -752.460741 where: bonds (distance) C4'-P energy: -112.997 bonds (distance) P-C4' energy: -143.257 flat angles C4'-P-C4' energy: -166.592 flat angles P-C4'-P energy: -104.943 tors. eta vs tors. theta energy: -224.671 Dist. restrs. and SS energy: 0.000 (S_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: -2653.859258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.859258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.859258 (E_RNA) where: Base-Base interactions energy: -1916.849 where: short stacking energy: -756.218 Base-Backbone interact. energy: -0.574 local terms energy: -736.436448 where: bonds (distance) C4'-P energy: -108.904 bonds (distance) P-C4' energy: -136.636 flat angles C4'-P-C4' energy: -156.158 flat angles P-C4'-P energy: -107.847 tors. eta vs tors. theta energy: -226.892 Dist. restrs. and SS energy: 0.000 (S_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: 38 Temperature: 1.050000 Total energy: -2609.149918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.149918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.149918 (E_RNA) where: Base-Base interactions energy: -1873.010 where: short stacking energy: -726.359 Base-Backbone interact. energy: -1.553 local terms energy: -734.586661 where: bonds (distance) C4'-P energy: -103.261 bonds (distance) P-C4' energy: -161.919 flat angles C4'-P-C4' energy: -155.697 flat angles P-C4'-P energy: -97.442 tors. eta vs tors. theta energy: -216.269 Dist. restrs. and SS energy: 0.000 (S_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: 38 Temperature: 1.100000 Total energy: -2576.487064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.487064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.487064 (E_RNA) where: Base-Base interactions energy: -1860.563 where: short stacking energy: -736.833 Base-Backbone interact. energy: -2.722 local terms energy: -713.201117 where: bonds (distance) C4'-P energy: -111.779 bonds (distance) P-C4' energy: -131.087 flat angles C4'-P-C4' energy: -145.524 flat angles P-C4'-P energy: -106.016 tors. eta vs tors. theta energy: -218.794 Dist. restrs. and SS energy: 0.000 (S_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: 38 Temperature: 1.150000 Total energy: -2538.485521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.485521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.485521 (E_RNA) where: Base-Base interactions energy: -1819.886 where: short stacking energy: -740.366 Base-Backbone interact. energy: -2.701 local terms energy: -715.898858 where: bonds (distance) C4'-P energy: -112.384 bonds (distance) P-C4' energy: -129.692 flat angles C4'-P-C4' energy: -151.216 flat angles P-C4'-P energy: -98.615 tors. eta vs tors. theta energy: -223.992 Dist. restrs. and SS energy: 0.000 (S_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: 38 Temperature: 1.200000 Total energy: -2464.238779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.238779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.238779 (E_RNA) where: Base-Base interactions energy: -1759.733 where: short stacking energy: -696.637 Base-Backbone interact. energy: -1.517 local terms energy: -702.987897 where: bonds (distance) C4'-P energy: -110.041 bonds (distance) P-C4' energy: -131.517 flat angles C4'-P-C4' energy: -144.966 flat angles P-C4'-P energy: -108.187 tors. eta vs tors. theta energy: -208.277 Dist. restrs. and SS energy: 0.000 (S_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: 38 Temperature: 1.250000 Total energy: -2305.385784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.385784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.385784 (E_RNA) where: Base-Base interactions energy: -1613.015 where: short stacking energy: -666.824 Base-Backbone interact. energy: -1.024 local terms energy: -691.347003 where: bonds (distance) C4'-P energy: -108.869 bonds (distance) P-C4' energy: -138.667 flat angles C4'-P-C4' energy: -150.187 flat angles P-C4'-P energy: -99.448 tors. eta vs tors. theta energy: -194.177 Dist. restrs. and SS energy: 0.000 (S_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: 38 Temperature: 1.300000 Total energy: -2334.174907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.174907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.174907 (E_RNA) where: Base-Base interactions energy: -1650.787 where: short stacking energy: -657.779 Base-Backbone interact. energy: -1.797 local terms energy: -681.591461 where: bonds (distance) C4'-P energy: -106.247 bonds (distance) P-C4' energy: -142.821 flat angles C4'-P-C4' energy: -135.171 flat angles P-C4'-P energy: -94.022 tors. eta vs tors. theta energy: -203.331 Dist. restrs. and SS energy: 0.000 (S_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: 38 Temperature: 1.350000 Total energy: -2197.525130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.525130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.525130 (E_RNA) where: Base-Base interactions energy: -1542.027 where: short stacking energy: -621.727 Base-Backbone interact. energy: -1.047 local terms energy: -654.450990 where: bonds (distance) C4'-P energy: -86.505 bonds (distance) P-C4' energy: -133.726 flat angles C4'-P-C4' energy: -149.776 flat angles P-C4'-P energy: -93.502 tors. eta vs tors. theta energy: -190.941 Dist. restrs. and SS energy: 0.000 (S_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: 39 Temperature: 0.900000 Total energy: -2711.363023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.363023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.363023 (E_RNA) where: Base-Base interactions energy: -1940.891 where: short stacking energy: -775.986 Base-Backbone interact. energy: -0.957 local terms energy: -769.514668 where: bonds (distance) C4'-P energy: -120.749 bonds (distance) P-C4' energy: -155.126 flat angles C4'-P-C4' energy: -161.471 flat angles P-C4'-P energy: -108.963 tors. eta vs tors. theta energy: -223.205 Dist. restrs. and SS energy: 0.000 (S_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: -2672.581814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.581814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.581814 (E_RNA) where: Base-Base interactions energy: -1908.884 where: short stacking energy: -754.843 Base-Backbone interact. energy: -2.429 local terms energy: -761.269345 where: bonds (distance) C4'-P energy: -110.317 bonds (distance) P-C4' energy: -147.784 flat angles C4'-P-C4' energy: -167.392 flat angles P-C4'-P energy: -115.368 tors. eta vs tors. theta energy: -220.408 Dist. restrs. and SS energy: 0.000 (S_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: 39 Temperature: 1.000000 Total energy: -2615.084345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.084345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.084345 (E_RNA) where: Base-Base interactions energy: -1862.481 where: short stacking energy: -755.603 Base-Backbone interact. energy: 0.301 local terms energy: -752.903903 where: bonds (distance) C4'-P energy: -118.818 bonds (distance) P-C4' energy: -144.109 flat angles C4'-P-C4' energy: -157.052 flat angles P-C4'-P energy: -106.404 tors. eta vs tors. theta energy: -226.520 Dist. restrs. and SS energy: 0.000 (S_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: -2624.209396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.209396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.209396 (E_RNA) where: Base-Base interactions energy: -1905.086 where: short stacking energy: -758.400 Base-Backbone interact. energy: -2.401 local terms energy: -716.721588 where: bonds (distance) C4'-P energy: -103.997 bonds (distance) P-C4' energy: -136.102 flat angles C4'-P-C4' energy: -152.814 flat angles P-C4'-P energy: -106.779 tors. eta vs tors. theta energy: -217.030 Dist. restrs. and SS energy: 0.000 (S_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: 39 Temperature: 1.100000 Total energy: -2575.045646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.045646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.045646 (E_RNA) where: Base-Base interactions energy: -1830.502 where: short stacking energy: -740.643 Base-Backbone interact. energy: -2.244 local terms energy: -742.299770 where: bonds (distance) C4'-P energy: -112.448 bonds (distance) P-C4' energy: -153.300 flat angles C4'-P-C4' energy: -158.963 flat angles P-C4'-P energy: -108.538 tors. eta vs tors. theta energy: -209.052 Dist. restrs. and SS energy: 0.000 (S_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: -2536.174319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.174319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.174319 (E_RNA) where: Base-Base interactions energy: -1819.264 where: short stacking energy: -718.980 Base-Backbone interact. energy: -1.088 local terms energy: -715.822315 where: bonds (distance) C4'-P energy: -100.952 bonds (distance) P-C4' energy: -137.667 flat angles C4'-P-C4' energy: -158.514 flat angles P-C4'-P energy: -102.931 tors. eta vs tors. theta energy: -215.758 Dist. restrs. and SS energy: 0.000 (S_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: -2450.241086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.241086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.241086 (E_RNA) where: Base-Base interactions energy: -1734.569 where: short stacking energy: -696.126 Base-Backbone interact. energy: -2.475 local terms energy: -713.197072 where: bonds (distance) C4'-P energy: -121.923 bonds (distance) P-C4' energy: -143.133 flat angles C4'-P-C4' energy: -137.692 flat angles P-C4'-P energy: -96.392 tors. eta vs tors. theta energy: -214.057 Dist. restrs. and SS energy: 0.000 (S_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: 39 Temperature: 1.250000 Total energy: -2353.806436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.806436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.806436 (E_RNA) where: Base-Base interactions energy: -1654.992 where: short stacking energy: -682.447 Base-Backbone interact. energy: 2.576 local terms energy: -701.390409 where: bonds (distance) C4'-P energy: -112.112 bonds (distance) P-C4' energy: -138.865 flat angles C4'-P-C4' energy: -147.578 flat angles P-C4'-P energy: -102.093 tors. eta vs tors. theta energy: -200.742 Dist. restrs. and SS energy: 0.000 (S_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: 39 Temperature: 1.300000 Total energy: -2305.807296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.807296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.807296 (E_RNA) where: Base-Base interactions energy: -1630.350 where: short stacking energy: -658.274 Base-Backbone interact. energy: 0.407 local terms energy: -675.864126 where: bonds (distance) C4'-P energy: -111.387 bonds (distance) P-C4' energy: -135.015 flat angles C4'-P-C4' energy: -139.947 flat angles P-C4'-P energy: -93.998 tors. eta vs tors. theta energy: -195.517 Dist. restrs. and SS energy: 0.000 (S_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: 39 Temperature: 1.350000 Total energy: -2181.433043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.433043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.433043 (E_RNA) where: Base-Base interactions energy: -1540.193 where: short stacking energy: -653.264 Base-Backbone interact. energy: 1.014 local terms energy: -642.254495 where: bonds (distance) C4'-P energy: -95.737 bonds (distance) P-C4' energy: -118.086 flat angles C4'-P-C4' energy: -145.985 flat angles P-C4'-P energy: -81.344 tors. eta vs tors. theta energy: -201.103 Dist. restrs. and SS energy: 0.000 (S_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: 40 Temperature: 0.900000 Total energy: -2697.797997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.797997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.797997 (E_RNA) where: Base-Base interactions energy: -1921.971 where: short stacking energy: -752.130 Base-Backbone interact. energy: -3.144 local terms energy: -772.682752 where: bonds (distance) C4'-P energy: -124.029 bonds (distance) P-C4' energy: -148.310 flat angles C4'-P-C4' energy: -160.802 flat angles P-C4'-P energy: -116.531 tors. eta vs tors. theta energy: -223.011 Dist. restrs. and SS energy: 0.000 (S_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: 40 Temperature: 0.950000 Total energy: -2672.745599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.745599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.745599 (E_RNA) where: Base-Base interactions energy: -1911.823 where: short stacking energy: -758.741 Base-Backbone interact. energy: -1.094 local terms energy: -759.828734 where: bonds (distance) C4'-P energy: -124.931 bonds (distance) P-C4' energy: -151.450 flat angles C4'-P-C4' energy: -158.295 flat angles P-C4'-P energy: -104.332 tors. eta vs tors. theta energy: -220.820 Dist. restrs. and SS energy: 0.000 (S_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: 40 Temperature: 1.000000 Total energy: -2605.648428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.648428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.648428 (E_RNA) where: Base-Base interactions energy: -1854.452 where: short stacking energy: -741.933 Base-Backbone interact. energy: -3.199 local terms energy: -747.996714 where: bonds (distance) C4'-P energy: -108.852 bonds (distance) P-C4' energy: -142.206 flat angles C4'-P-C4' energy: -161.787 flat angles P-C4'-P energy: -111.584 tors. eta vs tors. theta energy: -223.568 Dist. restrs. and SS energy: 0.000 (S_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: 40 Temperature: 1.050000 Total energy: -2597.692872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.692872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.692872 (E_RNA) where: Base-Base interactions energy: -1853.242 where: short stacking energy: -725.325 Base-Backbone interact. energy: 1.136 local terms energy: -745.586820 where: bonds (distance) C4'-P energy: -120.463 bonds (distance) P-C4' energy: -149.924 flat angles C4'-P-C4' energy: -152.902 flat angles P-C4'-P energy: -111.517 tors. eta vs tors. theta energy: -210.780 Dist. restrs. and SS energy: 0.000 (S_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: 40 Temperature: 1.100000 Total energy: -2553.543100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.543100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.543100 (E_RNA) where: Base-Base interactions energy: -1837.450 where: short stacking energy: -731.791 Base-Backbone interact. energy: -2.750 local terms energy: -713.343607 where: bonds (distance) C4'-P energy: -99.057 bonds (distance) P-C4' energy: -148.062 flat angles C4'-P-C4' energy: -147.475 flat angles P-C4'-P energy: -106.124 tors. eta vs tors. theta energy: -212.626 Dist. restrs. and SS energy: 0.000 (S_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: 40 Temperature: 1.150000 Total energy: -2524.609409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.609409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.609409 (E_RNA) where: Base-Base interactions energy: -1780.812 where: short stacking energy: -722.641 Base-Backbone interact. energy: -0.972 local terms energy: -742.825690 where: bonds (distance) C4'-P energy: -108.695 bonds (distance) P-C4' energy: -158.638 flat angles C4'-P-C4' energy: -158.429 flat angles P-C4'-P energy: -103.352 tors. eta vs tors. theta energy: -213.712 Dist. restrs. and SS energy: 0.000 (S_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: 40 Temperature: 1.200000 Total energy: -2451.743837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.743837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.743837 (E_RNA) where: Base-Base interactions energy: -1744.046 where: short stacking energy: -696.923 Base-Backbone interact. energy: 2.902 local terms energy: -710.599158 where: bonds (distance) C4'-P energy: -112.554 bonds (distance) P-C4' energy: -138.250 flat angles C4'-P-C4' energy: -153.496 flat angles P-C4'-P energy: -101.959 tors. eta vs tors. theta energy: -204.340 Dist. restrs. and SS energy: 0.000 (S_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: 40 Temperature: 1.250000 Total energy: -2339.777058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.777058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.777058 (E_RNA) where: Base-Base interactions energy: -1656.456 where: short stacking energy: -660.860 Base-Backbone interact. energy: -0.642 local terms energy: -682.678782 where: bonds (distance) C4'-P energy: -111.665 bonds (distance) P-C4' energy: -137.649 flat angles C4'-P-C4' energy: -145.922 flat angles P-C4'-P energy: -95.955 tors. eta vs tors. theta energy: -191.487 Dist. restrs. and SS energy: 0.000 (S_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: 40 Temperature: 1.300000 Total energy: -2271.097903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.097903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.097903 (E_RNA) where: Base-Base interactions energy: -1625.745 where: short stacking energy: -648.045 Base-Backbone interact. energy: -0.203 local terms energy: -645.149626 where: bonds (distance) C4'-P energy: -112.094 bonds (distance) P-C4' energy: -132.375 flat angles C4'-P-C4' energy: -145.151 flat angles P-C4'-P energy: -76.400 tors. eta vs tors. theta energy: -179.129 Dist. restrs. and SS energy: 0.000 (S_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: -2159.325459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.325459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.325459 (E_RNA) where: Base-Base interactions energy: -1528.818 where: short stacking energy: -642.264 Base-Backbone interact. energy: -0.547 local terms energy: -629.959670 where: bonds (distance) C4'-P energy: -96.865 bonds (distance) P-C4' energy: -125.342 flat angles C4'-P-C4' energy: -137.563 flat angles P-C4'-P energy: -83.812 tors. eta vs tors. theta energy: -186.378 Dist. restrs. and SS energy: 0.000 (S_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: 41 Temperature: 0.900000 Total energy: -2699.298359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.298359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.298359 (E_RNA) where: Base-Base interactions energy: -1927.457 where: short stacking energy: -776.777 Base-Backbone interact. energy: -2.816 local terms energy: -769.024972 where: bonds (distance) C4'-P energy: -121.083 bonds (distance) P-C4' energy: -153.815 flat angles C4'-P-C4' energy: -145.758 flat angles P-C4'-P energy: -117.331 tors. eta vs tors. theta energy: -231.038 Dist. restrs. and SS energy: 0.000 (S_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: 41 Temperature: 0.950000 Total energy: -2658.024220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.024220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.024220 (E_RNA) where: Base-Base interactions energy: -1899.427 where: short stacking energy: -749.283 Base-Backbone interact. energy: 3.619 local terms energy: -762.216469 where: bonds (distance) C4'-P energy: -123.976 bonds (distance) P-C4' energy: -154.086 flat angles C4'-P-C4' energy: -156.153 flat angles P-C4'-P energy: -103.696 tors. eta vs tors. theta energy: -224.306 Dist. restrs. and SS energy: 0.000 (S_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: -2603.968998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.968998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.968998 (E_RNA) where: Base-Base interactions energy: -1854.067 where: short stacking energy: -734.120 Base-Backbone interact. energy: -0.378 local terms energy: -749.524165 where: bonds (distance) C4'-P energy: -111.615 bonds (distance) P-C4' energy: -162.228 flat angles C4'-P-C4' energy: -150.471 flat angles P-C4'-P energy: -110.967 tors. eta vs tors. theta energy: -214.243 Dist. restrs. and SS energy: 0.000 (S_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: 41 Temperature: 1.050000 Total energy: -2603.418645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.418645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.418645 (E_RNA) where: Base-Base interactions energy: -1863.319 where: short stacking energy: -740.942 Base-Backbone interact. energy: -3.969 local terms energy: -736.130637 where: bonds (distance) C4'-P energy: -116.641 bonds (distance) P-C4' energy: -138.246 flat angles C4'-P-C4' energy: -160.808 flat angles P-C4'-P energy: -102.104 tors. eta vs tors. theta energy: -218.332 Dist. restrs. and SS energy: 0.000 (S_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: 41 Temperature: 1.100000 Total energy: -2570.308769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.308769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.308769 (E_RNA) where: Base-Base interactions energy: -1822.248 where: short stacking energy: -725.436 Base-Backbone interact. energy: -1.806 local terms energy: -746.255483 where: bonds (distance) C4'-P energy: -114.019 bonds (distance) P-C4' energy: -147.539 flat angles C4'-P-C4' energy: -158.105 flat angles P-C4'-P energy: -108.066 tors. eta vs tors. theta energy: -218.526 Dist. restrs. and SS energy: 0.000 (S_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: 41 Temperature: 1.150000 Total energy: -2488.993091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.993091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.993091 (E_RNA) where: Base-Base interactions energy: -1743.637 where: short stacking energy: -726.233 Base-Backbone interact. energy: -2.570 local terms energy: -742.785884 where: bonds (distance) C4'-P energy: -122.759 bonds (distance) P-C4' energy: -128.977 flat angles C4'-P-C4' energy: -164.420 flat angles P-C4'-P energy: -106.416 tors. eta vs tors. theta energy: -220.214 Dist. restrs. and SS energy: 0.000 (S_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: 41 Temperature: 1.200000 Total energy: -2453.456393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.456393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.456393 (E_RNA) where: Base-Base interactions energy: -1751.995 where: short stacking energy: -715.398 Base-Backbone interact. energy: -1.300 local terms energy: -700.160676 where: bonds (distance) C4'-P energy: -91.856 bonds (distance) P-C4' energy: -134.452 flat angles C4'-P-C4' energy: -148.931 flat angles P-C4'-P energy: -101.773 tors. eta vs tors. theta energy: -223.148 Dist. restrs. and SS energy: 0.000 (S_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: 41 Temperature: 1.250000 Total energy: -2325.143560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.143560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.143560 (E_RNA) where: Base-Base interactions energy: -1643.675 where: short stacking energy: -672.395 Base-Backbone interact. energy: -3.364 local terms energy: -678.104928 where: bonds (distance) C4'-P energy: -107.992 bonds (distance) P-C4' energy: -139.406 flat angles C4'-P-C4' energy: -144.551 flat angles P-C4'-P energy: -93.178 tors. eta vs tors. theta energy: -192.976 Dist. restrs. and SS energy: 0.000 (S_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: 41 Temperature: 1.300000 Total energy: -2322.393571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.393571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.393571 (E_RNA) where: Base-Base interactions energy: -1662.528 where: short stacking energy: -679.859 Base-Backbone interact. energy: -0.954 local terms energy: -658.911635 where: bonds (distance) C4'-P energy: -101.017 bonds (distance) P-C4' energy: -116.059 flat angles C4'-P-C4' energy: -142.971 flat angles P-C4'-P energy: -98.461 tors. eta vs tors. theta energy: -200.403 Dist. restrs. and SS energy: 0.000 (S_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: -2126.617697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.617697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.617697 (E_RNA) where: Base-Base interactions energy: -1478.560 where: short stacking energy: -611.453 Base-Backbone interact. energy: -0.730 local terms energy: -647.328222 where: bonds (distance) C4'-P energy: -104.506 bonds (distance) P-C4' energy: -143.684 flat angles C4'-P-C4' energy: -141.450 flat angles P-C4'-P energy: -85.860 tors. eta vs tors. theta energy: -171.828 Dist. restrs. and SS energy: 0.000 (S_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: 42 Temperature: 0.900000 Total energy: -2721.693217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.693217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.693217 (E_RNA) where: Base-Base interactions energy: -1950.163 where: short stacking energy: -775.855 Base-Backbone interact. energy: 1.341 local terms energy: -772.870769 where: bonds (distance) C4'-P energy: -125.893 bonds (distance) P-C4' energy: -145.831 flat angles C4'-P-C4' energy: -165.630 flat angles P-C4'-P energy: -104.853 tors. eta vs tors. theta energy: -230.664 Dist. restrs. and SS energy: 0.000 (S_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: -2678.447215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.447215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.447215 (E_RNA) where: Base-Base interactions energy: -1908.279 where: short stacking energy: -761.157 Base-Backbone interact. energy: 1.115 local terms energy: -771.282772 where: bonds (distance) C4'-P energy: -111.914 bonds (distance) P-C4' energy: -156.292 flat angles C4'-P-C4' energy: -163.395 flat angles P-C4'-P energy: -108.657 tors. eta vs tors. theta energy: -231.024 Dist. restrs. and SS energy: 0.000 (S_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: 42 Temperature: 1.000000 Total energy: -2633.376497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.376497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.376497 (E_RNA) where: Base-Base interactions energy: -1882.535 where: short stacking energy: -748.216 Base-Backbone interact. energy: -2.969 local terms energy: -747.871921 where: bonds (distance) C4'-P energy: -120.591 bonds (distance) P-C4' energy: -144.280 flat angles C4'-P-C4' energy: -153.547 flat angles P-C4'-P energy: -110.593 tors. eta vs tors. theta energy: -218.861 Dist. restrs. and SS energy: 0.000 (S_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: -2553.761327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.761327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.761327 (E_RNA) where: Base-Base interactions energy: -1797.602 where: short stacking energy: -722.947 Base-Backbone interact. energy: -1.874 local terms energy: -754.285319 where: bonds (distance) C4'-P energy: -121.417 bonds (distance) P-C4' energy: -159.120 flat angles C4'-P-C4' energy: -154.581 flat angles P-C4'-P energy: -102.674 tors. eta vs tors. theta energy: -216.493 Dist. restrs. and SS energy: 0.000 (S_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: 42 Temperature: 1.100000 Total energy: -2560.716272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.716272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.716272 (E_RNA) where: Base-Base interactions energy: -1838.853 where: short stacking energy: -729.033 Base-Backbone interact. energy: -1.947 local terms energy: -719.916484 where: bonds (distance) C4'-P energy: -109.683 bonds (distance) P-C4' energy: -141.088 flat angles C4'-P-C4' energy: -143.297 flat angles P-C4'-P energy: -107.746 tors. eta vs tors. theta energy: -218.102 Dist. restrs. and SS energy: 0.000 (S_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: 42 Temperature: 1.150000 Total energy: -2511.242301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.242301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.242301 (E_RNA) where: Base-Base interactions energy: -1767.427 where: short stacking energy: -711.999 Base-Backbone interact. energy: -1.828 local terms energy: -741.987475 where: bonds (distance) C4'-P energy: -112.274 bonds (distance) P-C4' energy: -146.843 flat angles C4'-P-C4' energy: -151.615 flat angles P-C4'-P energy: -108.849 tors. eta vs tors. theta energy: -222.407 Dist. restrs. and SS energy: 0.000 (S_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: 42 Temperature: 1.200000 Total energy: -2426.327245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.327245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.327245 (E_RNA) where: Base-Base interactions energy: -1737.691 where: short stacking energy: -716.659 Base-Backbone interact. energy: 0.256 local terms energy: -688.891680 where: bonds (distance) C4'-P energy: -100.152 bonds (distance) P-C4' energy: -126.387 flat angles C4'-P-C4' energy: -151.930 flat angles P-C4'-P energy: -104.911 tors. eta vs tors. theta energy: -205.512 Dist. restrs. and SS energy: 0.000 (S_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: -2322.994193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.994193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.994193 (E_RNA) where: Base-Base interactions energy: -1658.487 where: short stacking energy: -670.316 Base-Backbone interact. energy: -3.274 local terms energy: -661.233559 where: bonds (distance) C4'-P energy: -95.524 bonds (distance) P-C4' energy: -136.941 flat angles C4'-P-C4' energy: -150.034 flat angles P-C4'-P energy: -89.437 tors. eta vs tors. theta energy: -189.298 Dist. restrs. and SS energy: 0.000 (S_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: 42 Temperature: 1.300000 Total energy: -2323.571930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.571930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.571930 (E_RNA) where: Base-Base interactions energy: -1632.170 where: short stacking energy: -670.819 Base-Backbone interact. energy: -1.967 local terms energy: -689.435424 where: bonds (distance) C4'-P energy: -99.936 bonds (distance) P-C4' energy: -135.231 flat angles C4'-P-C4' energy: -153.129 flat angles P-C4'-P energy: -100.453 tors. eta vs tors. theta energy: -200.686 Dist. restrs. and SS energy: 0.000 (S_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: 42 Temperature: 1.350000 Total energy: -2132.774322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.774322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.774322 (E_RNA) where: Base-Base interactions energy: -1487.957 where: short stacking energy: -618.879 Base-Backbone interact. energy: 3.801 local terms energy: -648.618420 where: bonds (distance) C4'-P energy: -114.661 bonds (distance) P-C4' energy: -128.463 flat angles C4'-P-C4' energy: -141.221 flat angles P-C4'-P energy: -84.271 tors. eta vs tors. theta energy: -180.003 Dist. restrs. and SS energy: 0.000 (S_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: 43 Temperature: 0.900000 Total energy: -2712.403237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.403237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.403237 (E_RNA) where: Base-Base interactions energy: -1940.723 where: short stacking energy: -772.043 Base-Backbone interact. energy: -0.714 local terms energy: -770.966639 where: bonds (distance) C4'-P energy: -121.012 bonds (distance) P-C4' energy: -147.339 flat angles C4'-P-C4' energy: -163.224 flat angles P-C4'-P energy: -107.566 tors. eta vs tors. theta energy: -231.826 Dist. restrs. and SS energy: 0.000 (S_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: 43 Temperature: 0.950000 Total energy: -2663.067681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.067681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.067681 (E_RNA) where: Base-Base interactions energy: -1905.134 where: short stacking energy: -770.631 Base-Backbone interact. energy: 5.597 local terms energy: -763.531141 where: bonds (distance) C4'-P energy: -114.077 bonds (distance) P-C4' energy: -162.682 flat angles C4'-P-C4' energy: -156.978 flat angles P-C4'-P energy: -104.775 tors. eta vs tors. theta energy: -225.019 Dist. restrs. and SS energy: 0.000 (S_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: 43 Temperature: 1.000000 Total energy: -2651.896119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.896119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.896119 (E_RNA) where: Base-Base interactions energy: -1882.335 where: short stacking energy: -744.097 Base-Backbone interact. energy: -2.511 local terms energy: -767.050255 where: bonds (distance) C4'-P energy: -121.014 bonds (distance) P-C4' energy: -156.896 flat angles C4'-P-C4' energy: -159.454 flat angles P-C4'-P energy: -105.495 tors. eta vs tors. theta energy: -224.190 Dist. restrs. and SS energy: 0.000 (S_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: 43 Temperature: 1.050000 Total energy: -2592.641132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.641132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.641132 (E_RNA) where: Base-Base interactions energy: -1857.162 where: short stacking energy: -748.029 Base-Backbone interact. energy: -1.573 local terms energy: -733.905890 where: bonds (distance) C4'-P energy: -114.346 bonds (distance) P-C4' energy: -137.072 flat angles C4'-P-C4' energy: -158.074 flat angles P-C4'-P energy: -101.794 tors. eta vs tors. theta energy: -222.620 Dist. restrs. and SS energy: 0.000 (S_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: -2565.716851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.716851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.716851 (E_RNA) where: Base-Base interactions energy: -1852.714 where: short stacking energy: -720.463 Base-Backbone interact. energy: -2.173 local terms energy: -710.829329 where: bonds (distance) C4'-P energy: -106.532 bonds (distance) P-C4' energy: -150.345 flat angles C4'-P-C4' energy: -150.282 flat angles P-C4'-P energy: -92.726 tors. eta vs tors. theta energy: -210.944 Dist. restrs. and SS energy: 0.000 (S_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: 43 Temperature: 1.150000 Total energy: -2535.166777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.166777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.166777 (E_RNA) where: Base-Base interactions energy: -1782.321 where: short stacking energy: -696.847 Base-Backbone interact. energy: -2.533 local terms energy: -750.312557 where: bonds (distance) C4'-P energy: -122.324 bonds (distance) P-C4' energy: -146.605 flat angles C4'-P-C4' energy: -154.240 flat angles P-C4'-P energy: -104.518 tors. eta vs tors. theta energy: -222.625 Dist. restrs. and SS energy: 0.000 (S_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: 43 Temperature: 1.200000 Total energy: -2421.263365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.263365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.263365 (E_RNA) where: Base-Base interactions energy: -1716.983 where: short stacking energy: -703.711 Base-Backbone interact. energy: -0.980 local terms energy: -703.300402 where: bonds (distance) C4'-P energy: -107.309 bonds (distance) P-C4' energy: -129.998 flat angles C4'-P-C4' energy: -143.600 flat angles P-C4'-P energy: -108.487 tors. eta vs tors. theta energy: -213.906 Dist. restrs. and SS energy: 0.000 (S_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: 43 Temperature: 1.250000 Total energy: -2329.617942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.617942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.617942 (E_RNA) where: Base-Base interactions energy: -1652.522 where: short stacking energy: -666.204 Base-Backbone interact. energy: -0.731 local terms energy: -676.365433 where: bonds (distance) C4'-P energy: -93.467 bonds (distance) P-C4' energy: -142.666 flat angles C4'-P-C4' energy: -155.151 flat angles P-C4'-P energy: -92.505 tors. eta vs tors. theta energy: -192.575 Dist. restrs. and SS energy: 0.000 (S_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: 43 Temperature: 1.300000 Total energy: -2290.420154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.420154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.420154 (E_RNA) where: Base-Base interactions energy: -1615.320 where: short stacking energy: -642.654 Base-Backbone interact. energy: 0.260 local terms energy: -675.359739 where: bonds (distance) C4'-P energy: -112.365 bonds (distance) P-C4' energy: -146.085 flat angles C4'-P-C4' energy: -123.531 flat angles P-C4'-P energy: -104.251 tors. eta vs tors. theta energy: -189.128 Dist. restrs. and SS energy: 0.000 (S_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: 43 Temperature: 1.350000 Total energy: -2202.975175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.975175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.975175 (E_RNA) where: Base-Base interactions energy: -1530.136 where: short stacking energy: -638.330 Base-Backbone interact. energy: -1.254 local terms energy: -671.584741 where: bonds (distance) C4'-P energy: -116.702 bonds (distance) P-C4' energy: -138.150 flat angles C4'-P-C4' energy: -138.619 flat angles P-C4'-P energy: -96.971 tors. eta vs tors. theta energy: -181.144 Dist. restrs. and SS energy: 0.000 (S_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: 44 Temperature: 0.900000 Total energy: -2684.852892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.852892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.852892 (E_RNA) where: Base-Base interactions energy: -1904.880 where: short stacking energy: -766.054 Base-Backbone interact. energy: -2.196 local terms energy: -777.776555 where: bonds (distance) C4'-P energy: -120.293 bonds (distance) P-C4' energy: -158.159 flat angles C4'-P-C4' energy: -160.156 flat angles P-C4'-P energy: -117.216 tors. eta vs tors. theta energy: -221.952 Dist. restrs. and SS energy: 0.000 (S_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: 44 Temperature: 0.950000 Total energy: -2666.536999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.536999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.536999 (E_RNA) where: Base-Base interactions energy: -1906.976 where: short stacking energy: -763.350 Base-Backbone interact. energy: -2.445 local terms energy: -757.116537 where: bonds (distance) C4'-P energy: -121.979 bonds (distance) P-C4' energy: -143.947 flat angles C4'-P-C4' energy: -160.077 flat angles P-C4'-P energy: -110.575 tors. eta vs tors. theta energy: -220.539 Dist. restrs. and SS energy: 0.000 (S_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: -2645.018987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.018987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.018987 (E_RNA) where: Base-Base interactions energy: -1886.231 where: short stacking energy: -746.252 Base-Backbone interact. energy: -4.052 local terms energy: -754.735950 where: bonds (distance) C4'-P energy: -122.590 bonds (distance) P-C4' energy: -144.194 flat angles C4'-P-C4' energy: -159.071 flat angles P-C4'-P energy: -102.332 tors. eta vs tors. theta energy: -226.550 Dist. restrs. and SS energy: 0.000 (S_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: 44 Temperature: 1.050000 Total energy: -2596.129898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.129898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.129898 (E_RNA) where: Base-Base interactions energy: -1852.635 where: short stacking energy: -734.625 Base-Backbone interact. energy: -1.166 local terms energy: -742.328693 where: bonds (distance) C4'-P energy: -115.794 bonds (distance) P-C4' energy: -148.511 flat angles C4'-P-C4' energy: -148.992 flat angles P-C4'-P energy: -102.614 tors. eta vs tors. theta energy: -226.418 Dist. restrs. and SS energy: 0.000 (S_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: 44 Temperature: 1.100000 Total energy: -2557.760536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.760536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.760536 (E_RNA) where: Base-Base interactions energy: -1815.749 where: short stacking energy: -743.927 Base-Backbone interact. energy: -1.334 local terms energy: -740.676982 where: bonds (distance) C4'-P energy: -112.548 bonds (distance) P-C4' energy: -145.762 flat angles C4'-P-C4' energy: -151.361 flat angles P-C4'-P energy: -109.496 tors. eta vs tors. theta energy: -221.510 Dist. restrs. and SS energy: 0.000 (S_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: 44 Temperature: 1.150000 Total energy: -2487.906502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.906502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.906502 (E_RNA) where: Base-Base interactions energy: -1763.958 where: short stacking energy: -704.279 Base-Backbone interact. energy: 1.835 local terms energy: -725.783667 where: bonds (distance) C4'-P energy: -125.566 bonds (distance) P-C4' energy: -143.912 flat angles C4'-P-C4' energy: -141.970 flat angles P-C4'-P energy: -97.810 tors. eta vs tors. theta energy: -216.526 Dist. restrs. and SS energy: 0.000 (S_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: 44 Temperature: 1.200000 Total energy: -2424.011476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.011476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.011476 (E_RNA) where: Base-Base interactions energy: -1717.618 where: short stacking energy: -689.236 Base-Backbone interact. energy: -1.323 local terms energy: -705.071300 where: bonds (distance) C4'-P energy: -111.255 bonds (distance) P-C4' energy: -137.271 flat angles C4'-P-C4' energy: -156.790 flat angles P-C4'-P energy: -95.631 tors. eta vs tors. theta energy: -204.125 Dist. restrs. and SS energy: 0.000 (S_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: 44 Temperature: 1.250000 Total energy: -2326.387704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.387704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.387704 (E_RNA) where: Base-Base interactions energy: -1653.086 where: short stacking energy: -650.208 Base-Backbone interact. energy: -0.676 local terms energy: -672.625614 where: bonds (distance) C4'-P energy: -108.985 bonds (distance) P-C4' energy: -144.775 flat angles C4'-P-C4' energy: -139.249 flat angles P-C4'-P energy: -88.122 tors. eta vs tors. theta energy: -191.494 Dist. restrs. and SS energy: 0.000 (S_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: 44 Temperature: 1.300000 Total energy: -2292.785637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.785637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.785637 (E_RNA) where: Base-Base interactions energy: -1602.433 where: short stacking energy: -641.781 Base-Backbone interact. energy: 0.100 local terms energy: -690.452318 where: bonds (distance) C4'-P energy: -101.230 bonds (distance) P-C4' energy: -148.413 flat angles C4'-P-C4' energy: -148.644 flat angles P-C4'-P energy: -91.877 tors. eta vs tors. theta energy: -200.289 Dist. restrs. and SS energy: 0.000 (S_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: 44 Temperature: 1.350000 Total energy: -2201.177655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.177655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.177655 (E_RNA) where: Base-Base interactions energy: -1555.008 where: short stacking energy: -656.305 Base-Backbone interact. energy: -0.096 local terms energy: -646.074190 where: bonds (distance) C4'-P energy: -95.185 bonds (distance) P-C4' energy: -149.621 flat angles C4'-P-C4' energy: -137.989 flat angles P-C4'-P energy: -84.042 tors. eta vs tors. theta energy: -179.237 Dist. restrs. and SS energy: 0.000 (S_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: 45 Temperature: 0.900000 Total energy: -2708.516026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.516026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.516026 (E_RNA) where: Base-Base interactions energy: -1929.325 where: short stacking energy: -771.280 Base-Backbone interact. energy: -5.947 local terms energy: -773.243732 where: bonds (distance) C4'-P energy: -117.333 bonds (distance) P-C4' energy: -162.413 flat angles C4'-P-C4' energy: -164.849 flat angles P-C4'-P energy: -102.768 tors. eta vs tors. theta energy: -225.881 Dist. restrs. and SS energy: 0.000 (S_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: -2676.137549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.137549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.137549 (E_RNA) where: Base-Base interactions energy: -1900.890 where: short stacking energy: -744.509 Base-Backbone interact. energy: -0.226 local terms energy: -775.021585 where: bonds (distance) C4'-P energy: -121.366 bonds (distance) P-C4' energy: -154.128 flat angles C4'-P-C4' energy: -158.752 flat angles P-C4'-P energy: -117.808 tors. eta vs tors. theta energy: -222.968 Dist. restrs. and SS energy: 0.000 (S_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: 45 Temperature: 1.000000 Total energy: -2641.960733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.960733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.960733 (E_RNA) where: Base-Base interactions energy: -1875.192 where: short stacking energy: -756.850 Base-Backbone interact. energy: -3.545 local terms energy: -763.223521 where: bonds (distance) C4'-P energy: -119.003 bonds (distance) P-C4' energy: -159.884 flat angles C4'-P-C4' energy: -154.504 flat angles P-C4'-P energy: -108.400 tors. eta vs tors. theta energy: -221.432 Dist. restrs. and SS energy: 0.000 (S_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: 45 Temperature: 1.050000 Total energy: -2600.778874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.778874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.778874 (E_RNA) where: Base-Base interactions energy: -1855.441 where: short stacking energy: -741.150 Base-Backbone interact. energy: -0.177 local terms energy: -745.160834 where: bonds (distance) C4'-P energy: -116.366 bonds (distance) P-C4' energy: -151.379 flat angles C4'-P-C4' energy: -151.772 flat angles P-C4'-P energy: -107.572 tors. eta vs tors. theta energy: -218.072 Dist. restrs. and SS energy: 0.000 (S_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: 45 Temperature: 1.100000 Total energy: -2584.102799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.102799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.102799 (E_RNA) where: Base-Base interactions energy: -1841.350 where: short stacking energy: -744.145 Base-Backbone interact. energy: -2.798 local terms energy: -739.955444 where: bonds (distance) C4'-P energy: -105.270 bonds (distance) P-C4' energy: -150.237 flat angles C4'-P-C4' energy: -157.778 flat angles P-C4'-P energy: -105.701 tors. eta vs tors. theta energy: -220.971 Dist. restrs. and SS energy: 0.000 (S_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: 45 Temperature: 1.150000 Total energy: -2510.374548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.374548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.374548 (E_RNA) where: Base-Base interactions energy: -1798.209 where: short stacking energy: -725.782 Base-Backbone interact. energy: 3.343 local terms energy: -715.508727 where: bonds (distance) C4'-P energy: -104.389 bonds (distance) P-C4' energy: -137.119 flat angles C4'-P-C4' energy: -150.321 flat angles P-C4'-P energy: -99.696 tors. eta vs tors. theta energy: -223.984 Dist. restrs. and SS energy: 0.000 (S_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: 45 Temperature: 1.200000 Total energy: -2443.828840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.828840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.828840 (E_RNA) where: Base-Base interactions energy: -1744.152 where: short stacking energy: -692.257 Base-Backbone interact. energy: -1.827 local terms energy: -697.849382 where: bonds (distance) C4'-P energy: -106.169 bonds (distance) P-C4' energy: -129.572 flat angles C4'-P-C4' energy: -153.532 flat angles P-C4'-P energy: -93.680 tors. eta vs tors. theta energy: -214.896 Dist. restrs. and SS energy: 0.000 (S_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: 45 Temperature: 1.250000 Total energy: -2280.437393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.437393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.437393 (E_RNA) where: Base-Base interactions energy: -1580.221 where: short stacking energy: -633.578 Base-Backbone interact. energy: -2.785 local terms energy: -697.431909 where: bonds (distance) C4'-P energy: -105.591 bonds (distance) P-C4' energy: -153.031 flat angles C4'-P-C4' energy: -146.308 flat angles P-C4'-P energy: -101.149 tors. eta vs tors. theta energy: -191.353 Dist. restrs. and SS energy: 0.000 (S_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: -2226.613769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.613769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.613769 (E_RNA) where: Base-Base interactions energy: -1552.802 where: short stacking energy: -638.352 Base-Backbone interact. energy: -1.029 local terms energy: -672.782433 where: bonds (distance) C4'-P energy: -109.881 bonds (distance) P-C4' energy: -130.414 flat angles C4'-P-C4' energy: -151.577 flat angles P-C4'-P energy: -89.185 tors. eta vs tors. theta energy: -191.725 Dist. restrs. and SS energy: 0.000 (S_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: 45 Temperature: 1.350000 Total energy: -2219.002291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.002291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.002291 (E_RNA) where: Base-Base interactions energy: -1537.426 where: short stacking energy: -629.770 Base-Backbone interact. energy: -1.427 local terms energy: -680.149370 where: bonds (distance) C4'-P energy: -110.573 bonds (distance) P-C4' energy: -133.376 flat angles C4'-P-C4' energy: -144.970 flat angles P-C4'-P energy: -103.940 tors. eta vs tors. theta energy: -187.289 Dist. restrs. and SS energy: 0.000 (S_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: -2684.592616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.592616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.592616 (E_RNA) where: Base-Base interactions energy: -1918.289 where: short stacking energy: -757.555 Base-Backbone interact. energy: -3.635 local terms energy: -762.669155 where: bonds (distance) C4'-P energy: -117.162 bonds (distance) P-C4' energy: -146.649 flat angles C4'-P-C4' energy: -161.434 flat angles P-C4'-P energy: -108.712 tors. eta vs tors. theta energy: -228.713 Dist. restrs. and SS energy: 0.000 (S_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: 46 Temperature: 0.950000 Total energy: -2662.184466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.184466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.184466 (E_RNA) where: Base-Base interactions energy: -1896.179 where: short stacking energy: -760.741 Base-Backbone interact. energy: -4.103 local terms energy: -761.902574 where: bonds (distance) C4'-P energy: -120.794 bonds (distance) P-C4' energy: -147.051 flat angles C4'-P-C4' energy: -163.448 flat angles P-C4'-P energy: -101.999 tors. eta vs tors. theta energy: -228.610 Dist. restrs. and SS energy: 0.000 (S_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: -2629.613522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.613522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.613522 (E_RNA) where: Base-Base interactions energy: -1884.306 where: short stacking energy: -731.853 Base-Backbone interact. energy: -1.647 local terms energy: -743.660409 where: bonds (distance) C4'-P energy: -116.314 bonds (distance) P-C4' energy: -147.586 flat angles C4'-P-C4' energy: -149.914 flat angles P-C4'-P energy: -109.232 tors. eta vs tors. theta energy: -220.615 Dist. restrs. and SS energy: 0.000 (S_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: -2617.595956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.595956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.595956 (E_RNA) where: Base-Base interactions energy: -1869.891 where: short stacking energy: -750.732 Base-Backbone interact. energy: -1.772 local terms energy: -745.932744 where: bonds (distance) C4'-P energy: -113.111 bonds (distance) P-C4' energy: -136.245 flat angles C4'-P-C4' energy: -157.851 flat angles P-C4'-P energy: -114.035 tors. eta vs tors. theta energy: -224.691 Dist. restrs. and SS energy: 0.000 (S_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: 46 Temperature: 1.100000 Total energy: -2561.558246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.558246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.558246 (E_RNA) where: Base-Base interactions energy: -1827.879 where: short stacking energy: -716.726 Base-Backbone interact. energy: -2.305 local terms energy: -731.374988 where: bonds (distance) C4'-P energy: -110.708 bonds (distance) P-C4' energy: -142.504 flat angles C4'-P-C4' energy: -158.213 flat angles P-C4'-P energy: -105.143 tors. eta vs tors. theta energy: -214.806 Dist. restrs. and SS energy: 0.000 (S_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: 46 Temperature: 1.150000 Total energy: -2482.274060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.274060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.274060 (E_RNA) where: Base-Base interactions energy: -1747.984 where: short stacking energy: -711.583 Base-Backbone interact. energy: -2.078 local terms energy: -732.212413 where: bonds (distance) C4'-P energy: -117.278 bonds (distance) P-C4' energy: -142.158 flat angles C4'-P-C4' energy: -156.233 flat angles P-C4'-P energy: -107.487 tors. eta vs tors. theta energy: -209.057 Dist. restrs. and SS energy: 0.000 (S_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: 46 Temperature: 1.200000 Total energy: -2429.554611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.554611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.554611 (E_RNA) where: Base-Base interactions energy: -1721.341 where: short stacking energy: -694.993 Base-Backbone interact. energy: -2.173 local terms energy: -706.040734 where: bonds (distance) C4'-P energy: -111.946 bonds (distance) P-C4' energy: -138.019 flat angles C4'-P-C4' energy: -150.241 flat angles P-C4'-P energy: -101.687 tors. eta vs tors. theta energy: -204.148 Dist. restrs. and SS energy: 0.000 (S_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: 46 Temperature: 1.250000 Total energy: -2304.830908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.830908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.830908 (E_RNA) where: Base-Base interactions energy: -1635.123 where: short stacking energy: -655.547 Base-Backbone interact. energy: -1.693 local terms energy: -668.014838 where: bonds (distance) C4'-P energy: -99.803 bonds (distance) P-C4' energy: -152.229 flat angles C4'-P-C4' energy: -129.663 flat angles P-C4'-P energy: -98.772 tors. eta vs tors. theta energy: -187.547 Dist. restrs. and SS energy: 0.000 (S_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: 46 Temperature: 1.300000 Total energy: -2241.008033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.008033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.008033 (E_RNA) where: Base-Base interactions energy: -1576.306 where: short stacking energy: -634.941 Base-Backbone interact. energy: -1.843 local terms energy: -662.858393 where: bonds (distance) C4'-P energy: -92.096 bonds (distance) P-C4' energy: -146.903 flat angles C4'-P-C4' energy: -149.673 flat angles P-C4'-P energy: -92.507 tors. eta vs tors. theta energy: -181.679 Dist. restrs. and SS energy: 0.000 (S_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: 46 Temperature: 1.350000 Total energy: -2123.148002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.148002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.148002 (E_RNA) where: Base-Base interactions energy: -1480.802 where: short stacking energy: -614.587 Base-Backbone interact. energy: -1.525 local terms energy: -640.821100 where: bonds (distance) C4'-P energy: -111.756 bonds (distance) P-C4' energy: -137.350 flat angles C4'-P-C4' energy: -133.605 flat angles P-C4'-P energy: -82.589 tors. eta vs tors. theta energy: -175.520 Dist. restrs. and SS energy: 0.000 (S_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: -2690.375904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.375904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.375904 (E_RNA) where: Base-Base interactions energy: -1902.582 where: short stacking energy: -766.636 Base-Backbone interact. energy: -2.382 local terms energy: -785.412436 where: bonds (distance) C4'-P energy: -111.695 bonds (distance) P-C4' energy: -157.368 flat angles C4'-P-C4' energy: -169.119 flat angles P-C4'-P energy: -119.535 tors. eta vs tors. theta energy: -227.696 Dist. restrs. and SS energy: 0.000 (S_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: 47 Temperature: 0.950000 Total energy: -2685.724851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.724851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.724851 (E_RNA) where: Base-Base interactions energy: -1922.294 where: short stacking energy: -759.247 Base-Backbone interact. energy: -5.548 local terms energy: -757.882962 where: bonds (distance) C4'-P energy: -125.210 bonds (distance) P-C4' energy: -148.563 flat angles C4'-P-C4' energy: -154.457 flat angles P-C4'-P energy: -104.992 tors. eta vs tors. theta energy: -224.661 Dist. restrs. and SS energy: 0.000 (S_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: 47 Temperature: 1.000000 Total energy: -2640.850430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.850430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.850430 (E_RNA) where: Base-Base interactions energy: -1910.925 where: short stacking energy: -750.500 Base-Backbone interact. energy: -3.535 local terms energy: -726.390358 where: bonds (distance) C4'-P energy: -115.528 bonds (distance) P-C4' energy: -137.417 flat angles C4'-P-C4' energy: -152.374 flat angles P-C4'-P energy: -99.002 tors. eta vs tors. theta energy: -222.069 Dist. restrs. and SS energy: 0.000 (S_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: 47 Temperature: 1.050000 Total energy: -2578.376017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.376017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.376017 (E_RNA) where: Base-Base interactions energy: -1804.930 where: short stacking energy: -734.370 Base-Backbone interact. energy: -0.441 local terms energy: -773.005101 where: bonds (distance) C4'-P energy: -130.764 bonds (distance) P-C4' energy: -151.044 flat angles C4'-P-C4' energy: -159.812 flat angles P-C4'-P energy: -108.770 tors. eta vs tors. theta energy: -222.615 Dist. restrs. and SS energy: 0.000 (S_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: -2573.271866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.271866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.271866 (E_RNA) where: Base-Base interactions energy: -1855.250 where: short stacking energy: -725.925 Base-Backbone interact. energy: -3.352 local terms energy: -714.670149 where: bonds (distance) C4'-P energy: -90.582 bonds (distance) P-C4' energy: -138.842 flat angles C4'-P-C4' energy: -157.995 flat angles P-C4'-P energy: -107.657 tors. eta vs tors. theta energy: -219.595 Dist. restrs. and SS energy: 0.000 (S_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: -2499.089809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.089809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.089809 (E_RNA) where: Base-Base interactions energy: -1778.003 where: short stacking energy: -718.865 Base-Backbone interact. energy: 0.308 local terms energy: -721.394822 where: bonds (distance) C4'-P energy: -114.037 bonds (distance) P-C4' energy: -147.578 flat angles C4'-P-C4' energy: -148.288 flat angles P-C4'-P energy: -95.915 tors. eta vs tors. theta energy: -215.577 Dist. restrs. and SS energy: 0.000 (S_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: 47 Temperature: 1.200000 Total energy: -2462.768745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.768745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.768745 (E_RNA) where: Base-Base interactions energy: -1755.990 where: short stacking energy: -708.117 Base-Backbone interact. energy: 0.127 local terms energy: -706.905000 where: bonds (distance) C4'-P energy: -105.060 bonds (distance) P-C4' energy: -139.806 flat angles C4'-P-C4' energy: -161.706 flat angles P-C4'-P energy: -90.893 tors. eta vs tors. theta energy: -209.441 Dist. restrs. and SS energy: 0.000 (S_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: -2335.489298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.489298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.489298 (E_RNA) where: Base-Base interactions energy: -1657.126 where: short stacking energy: -662.330 Base-Backbone interact. energy: -0.659 local terms energy: -677.704684 where: bonds (distance) C4'-P energy: -93.816 bonds (distance) P-C4' energy: -145.228 flat angles C4'-P-C4' energy: -139.995 flat angles P-C4'-P energy: -102.201 tors. eta vs tors. theta energy: -196.465 Dist. restrs. and SS energy: 0.000 (S_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: 47 Temperature: 1.300000 Total energy: -2307.849732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.849732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.849732 (E_RNA) where: Base-Base interactions energy: -1632.456 where: short stacking energy: -679.824 Base-Backbone interact. energy: -1.236 local terms energy: -674.156883 where: bonds (distance) C4'-P energy: -113.709 bonds (distance) P-C4' energy: -119.637 flat angles C4'-P-C4' energy: -150.198 flat angles P-C4'-P energy: -96.488 tors. eta vs tors. theta energy: -194.125 Dist. restrs. and SS energy: 0.000 (S_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: 47 Temperature: 1.350000 Total energy: -2088.738892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.738892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.738892 (E_RNA) where: Base-Base interactions energy: -1463.406 where: short stacking energy: -601.699 Base-Backbone interact. energy: 1.173 local terms energy: -626.505906 where: bonds (distance) C4'-P energy: -87.665 bonds (distance) P-C4' energy: -128.454 flat angles C4'-P-C4' energy: -143.234 flat angles P-C4'-P energy: -95.878 tors. eta vs tors. theta energy: -171.275 Dist. restrs. and SS energy: 0.000 (S_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: 48 Temperature: 0.900000 Total energy: -2698.627820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.627820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.627820 (E_RNA) where: Base-Base interactions energy: -1914.367 where: short stacking energy: -765.098 Base-Backbone interact. energy: -4.588 local terms energy: -779.672952 where: bonds (distance) C4'-P energy: -112.108 bonds (distance) P-C4' energy: -158.524 flat angles C4'-P-C4' energy: -166.232 flat angles P-C4'-P energy: -114.265 tors. eta vs tors. theta energy: -228.543 Dist. restrs. and SS energy: 0.000 (S_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: 48 Temperature: 0.950000 Total energy: -2685.752721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.752721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.752721 (E_RNA) where: Base-Base interactions energy: -1913.079 where: short stacking energy: -755.999 Base-Backbone interact. energy: -2.191 local terms energy: -770.482660 where: bonds (distance) C4'-P energy: -113.005 bonds (distance) P-C4' energy: -161.391 flat angles C4'-P-C4' energy: -156.390 flat angles P-C4'-P energy: -114.368 tors. eta vs tors. theta energy: -225.330 Dist. restrs. and SS energy: 0.000 (S_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: 48 Temperature: 1.000000 Total energy: -2606.218586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.218586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.218586 (E_RNA) where: Base-Base interactions energy: -1851.799 where: short stacking energy: -740.843 Base-Backbone interact. energy: -0.556 local terms energy: -753.863801 where: bonds (distance) C4'-P energy: -104.233 bonds (distance) P-C4' energy: -148.629 flat angles C4'-P-C4' energy: -163.115 flat angles P-C4'-P energy: -114.233 tors. eta vs tors. theta energy: -223.653 Dist. restrs. and SS energy: 0.000 (S_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: 48 Temperature: 1.050000 Total energy: -2609.925290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.925290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.925290 (E_RNA) where: Base-Base interactions energy: -1856.788 where: short stacking energy: -732.403 Base-Backbone interact. energy: -2.711 local terms energy: -750.426131 where: bonds (distance) C4'-P energy: -117.687 bonds (distance) P-C4' energy: -148.753 flat angles C4'-P-C4' energy: -158.444 flat angles P-C4'-P energy: -104.052 tors. eta vs tors. theta energy: -221.490 Dist. restrs. and SS energy: 0.000 (S_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: 48 Temperature: 1.100000 Total energy: -2577.046556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.046556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.046556 (E_RNA) where: Base-Base interactions energy: -1856.032 where: short stacking energy: -727.284 Base-Backbone interact. energy: -1.484 local terms energy: -719.530972 where: bonds (distance) C4'-P energy: -115.609 bonds (distance) P-C4' energy: -139.425 flat angles C4'-P-C4' energy: -148.084 flat angles P-C4'-P energy: -101.271 tors. eta vs tors. theta energy: -215.142 Dist. restrs. and SS energy: 0.000 (S_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: 48 Temperature: 1.150000 Total energy: -2495.123792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.123792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.123792 (E_RNA) where: Base-Base interactions energy: -1754.390 where: short stacking energy: -694.710 Base-Backbone interact. energy: -1.066 local terms energy: -739.668240 where: bonds (distance) C4'-P energy: -115.542 bonds (distance) P-C4' energy: -151.622 flat angles C4'-P-C4' energy: -148.805 flat angles P-C4'-P energy: -110.203 tors. eta vs tors. theta energy: -213.496 Dist. restrs. and SS energy: 0.000 (S_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: 48 Temperature: 1.200000 Total energy: -2465.431888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.431888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.431888 (E_RNA) where: Base-Base interactions energy: -1743.884 where: short stacking energy: -719.300 Base-Backbone interact. energy: -0.804 local terms energy: -720.744143 where: bonds (distance) C4'-P energy: -102.917 bonds (distance) P-C4' energy: -147.913 flat angles C4'-P-C4' energy: -153.555 flat angles P-C4'-P energy: -98.250 tors. eta vs tors. theta energy: -218.109 Dist. restrs. and SS energy: 0.000 (S_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: 48 Temperature: 1.250000 Total energy: -2371.997174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.997174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.997174 (E_RNA) where: Base-Base interactions energy: -1694.574 where: short stacking energy: -687.877 Base-Backbone interact. energy: -2.751 local terms energy: -674.671659 where: bonds (distance) C4'-P energy: -108.849 bonds (distance) P-C4' energy: -135.161 flat angles C4'-P-C4' energy: -134.616 flat angles P-C4'-P energy: -98.350 tors. eta vs tors. theta energy: -197.696 Dist. restrs. and SS energy: 0.000 (S_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: -2258.502999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.502999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.502999 (E_RNA) where: Base-Base interactions energy: -1593.366 where: short stacking energy: -642.424 Base-Backbone interact. energy: -1.516 local terms energy: -663.620160 where: bonds (distance) C4'-P energy: -110.305 bonds (distance) P-C4' energy: -135.687 flat angles C4'-P-C4' energy: -144.981 flat angles P-C4'-P energy: -94.570 tors. eta vs tors. theta energy: -178.078 Dist. restrs. and SS energy: 0.000 (S_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: 48 Temperature: 1.350000 Total energy: -2136.489019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.489019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.489019 (E_RNA) where: Base-Base interactions energy: -1494.711 where: short stacking energy: -601.671 Base-Backbone interact. energy: -0.630 local terms energy: -641.147227 where: bonds (distance) C4'-P energy: -102.554 bonds (distance) P-C4' energy: -128.779 flat angles C4'-P-C4' energy: -137.827 flat angles P-C4'-P energy: -90.447 tors. eta vs tors. theta energy: -181.539 Dist. restrs. and SS energy: 0.000 (S_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: 49 Temperature: 0.900000 Total energy: -2680.655725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.655725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.655725 (E_RNA) where: Base-Base interactions energy: -1908.496 where: short stacking energy: -742.143 Base-Backbone interact. energy: 0.675 local terms energy: -772.833993 where: bonds (distance) C4'-P energy: -127.407 bonds (distance) P-C4' energy: -149.038 flat angles C4'-P-C4' energy: -163.401 flat angles P-C4'-P energy: -110.133 tors. eta vs tors. theta energy: -222.854 Dist. restrs. and SS energy: 0.000 (S_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: 49 Temperature: 0.950000 Total energy: -2680.977325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.977325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.977325 (E_RNA) where: Base-Base interactions energy: -1905.292 where: short stacking energy: -759.043 Base-Backbone interact. energy: -2.781 local terms energy: -772.904828 where: bonds (distance) C4'-P energy: -107.743 bonds (distance) P-C4' energy: -157.090 flat angles C4'-P-C4' energy: -168.513 flat angles P-C4'-P energy: -114.985 tors. eta vs tors. theta energy: -224.573 Dist. restrs. and SS energy: 0.000 (S_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: 49 Temperature: 1.000000 Total energy: -2638.279955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.279955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.279955 (E_RNA) where: Base-Base interactions energy: -1881.796 where: short stacking energy: -755.354 Base-Backbone interact. energy: 0.402 local terms energy: -756.886701 where: bonds (distance) C4'-P energy: -128.494 bonds (distance) P-C4' energy: -136.974 flat angles C4'-P-C4' energy: -157.028 flat angles P-C4'-P energy: -109.587 tors. eta vs tors. theta energy: -224.803 Dist. restrs. and SS energy: 0.000 (S_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: 49 Temperature: 1.050000 Total energy: -2633.403881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.403881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.403881 (E_RNA) where: Base-Base interactions energy: -1895.864 where: short stacking energy: -747.934 Base-Backbone interact. energy: -1.408 local terms energy: -736.132369 where: bonds (distance) C4'-P energy: -122.798 bonds (distance) P-C4' energy: -145.595 flat angles C4'-P-C4' energy: -148.746 flat angles P-C4'-P energy: -99.691 tors. eta vs tors. theta energy: -219.303 Dist. restrs. and SS energy: 0.000 (S_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: 49 Temperature: 1.100000 Total energy: -2563.656905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.656905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.656905 (E_RNA) where: Base-Base interactions energy: -1854.832 where: short stacking energy: -734.582 Base-Backbone interact. energy: -1.845 local terms energy: -706.980175 where: bonds (distance) C4'-P energy: -96.582 bonds (distance) P-C4' energy: -153.021 flat angles C4'-P-C4' energy: -154.065 flat angles P-C4'-P energy: -97.362 tors. eta vs tors. theta energy: -205.951 Dist. restrs. and SS energy: 0.000 (S_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: 49 Temperature: 1.150000 Total energy: -2490.794162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.794162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.794162 (E_RNA) where: Base-Base interactions energy: -1777.533 where: short stacking energy: -716.895 Base-Backbone interact. energy: -2.025 local terms energy: -711.235764 where: bonds (distance) C4'-P energy: -103.391 bonds (distance) P-C4' energy: -143.958 flat angles C4'-P-C4' energy: -149.772 flat angles P-C4'-P energy: -101.998 tors. eta vs tors. theta energy: -212.117 Dist. restrs. and SS energy: 0.000 (S_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: 49 Temperature: 1.200000 Total energy: -2423.028221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.028221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.028221 (E_RNA) where: Base-Base interactions energy: -1717.329 where: short stacking energy: -689.428 Base-Backbone interact. energy: 4.002 local terms energy: -709.700768 where: bonds (distance) C4'-P energy: -114.425 bonds (distance) P-C4' energy: -148.964 flat angles C4'-P-C4' energy: -136.440 flat angles P-C4'-P energy: -99.689 tors. eta vs tors. theta energy: -210.183 Dist. restrs. and SS energy: 0.000 (S_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: -2262.279079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.279079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.279079 (E_RNA) where: Base-Base interactions energy: -1593.770 where: short stacking energy: -656.535 Base-Backbone interact. energy: -2.001 local terms energy: -666.507343 where: bonds (distance) C4'-P energy: -105.356 bonds (distance) P-C4' energy: -143.340 flat angles C4'-P-C4' energy: -134.508 flat angles P-C4'-P energy: -94.972 tors. eta vs tors. theta energy: -188.331 Dist. restrs. and SS energy: 0.000 (S_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: 49 Temperature: 1.300000 Total energy: -2295.534237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.534237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.534237 (E_RNA) where: Base-Base interactions energy: -1627.380 where: short stacking energy: -643.631 Base-Backbone interact. energy: 0.817 local terms energy: -668.970551 where: bonds (distance) C4'-P energy: -108.153 bonds (distance) P-C4' energy: -129.530 flat angles C4'-P-C4' energy: -143.139 flat angles P-C4'-P energy: -97.282 tors. eta vs tors. theta energy: -190.867 Dist. restrs. and SS energy: 0.000 (S_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: 49 Temperature: 1.350000 Total energy: -2136.468589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.468589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.468589 (E_RNA) where: Base-Base interactions energy: -1498.630 where: short stacking energy: -610.854 Base-Backbone interact. energy: -1.341 local terms energy: -636.497599 where: bonds (distance) C4'-P energy: -103.784 bonds (distance) P-C4' energy: -122.042 flat angles C4'-P-C4' energy: -147.297 flat angles P-C4'-P energy: -92.087 tors. eta vs tors. theta energy: -171.287 Dist. restrs. and SS energy: 0.000 (S_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: 50 Temperature: 0.900000 Total energy: -2679.773472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.773472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.773472 (E_RNA) where: Base-Base interactions energy: -1908.894 where: short stacking energy: -753.197 Base-Backbone interact. energy: -1.887 local terms energy: -768.991642 where: bonds (distance) C4'-P energy: -115.101 bonds (distance) P-C4' energy: -159.997 flat angles C4'-P-C4' energy: -154.084 flat angles P-C4'-P energy: -110.359 tors. eta vs tors. theta energy: -229.451 Dist. restrs. and SS energy: 0.000 (S_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: 50 Temperature: 0.950000 Total energy: -2664.856977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.856977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.856977 (E_RNA) where: Base-Base interactions energy: -1892.635 where: short stacking energy: -751.108 Base-Backbone interact. energy: -2.787 local terms energy: -769.434898 where: bonds (distance) C4'-P energy: -120.795 bonds (distance) P-C4' energy: -153.929 flat angles C4'-P-C4' energy: -158.897 flat angles P-C4'-P energy: -112.458 tors. eta vs tors. theta energy: -223.356 Dist. restrs. and SS energy: 0.000 (S_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: 50 Temperature: 1.000000 Total energy: -2657.253845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.253845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.253845 (E_RNA) where: Base-Base interactions energy: -1904.719 where: short stacking energy: -740.111 Base-Backbone interact. energy: -1.693 local terms energy: -750.842708 where: bonds (distance) C4'-P energy: -112.531 bonds (distance) P-C4' energy: -149.418 flat angles C4'-P-C4' energy: -155.020 flat angles P-C4'-P energy: -108.787 tors. eta vs tors. theta energy: -225.086 Dist. restrs. and SS energy: 0.000 (S_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: 50 Temperature: 1.050000 Total energy: -2586.701778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.701778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.701778 (E_RNA) where: Base-Base interactions energy: -1838.325 where: short stacking energy: -720.088 Base-Backbone interact. energy: -1.270 local terms energy: -747.106752 where: bonds (distance) C4'-P energy: -110.212 bonds (distance) P-C4' energy: -155.205 flat angles C4'-P-C4' energy: -155.736 flat angles P-C4'-P energy: -107.079 tors. eta vs tors. theta energy: -218.875 Dist. restrs. and SS energy: 0.000 (S_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: 50 Temperature: 1.100000 Total energy: -2555.746470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.746470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.746470 (E_RNA) where: Base-Base interactions energy: -1840.105 where: short stacking energy: -736.581 Base-Backbone interact. energy: -1.193 local terms energy: -714.448223 where: bonds (distance) C4'-P energy: -102.077 bonds (distance) P-C4' energy: -150.781 flat angles C4'-P-C4' energy: -151.361 flat angles P-C4'-P energy: -94.743 tors. eta vs tors. theta energy: -215.486 Dist. restrs. and SS energy: 0.000 (S_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: 50 Temperature: 1.150000 Total energy: -2480.190267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.190267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.190267 (E_RNA) where: Base-Base interactions energy: -1760.663 where: short stacking energy: -712.681 Base-Backbone interact. energy: -1.247 local terms energy: -718.280355 where: bonds (distance) C4'-P energy: -110.535 bonds (distance) P-C4' energy: -146.900 flat angles C4'-P-C4' energy: -146.903 flat angles P-C4'-P energy: -96.994 tors. eta vs tors. theta energy: -216.948 Dist. restrs. and SS energy: 0.000 (S_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: 50 Temperature: 1.200000 Total energy: -2444.356962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.356962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.356962 (E_RNA) where: Base-Base interactions energy: -1722.880 where: short stacking energy: -689.452 Base-Backbone interact. energy: -1.913 local terms energy: -719.564396 where: bonds (distance) C4'-P energy: -95.404 bonds (distance) P-C4' energy: -150.320 flat angles C4'-P-C4' energy: -154.778 flat angles P-C4'-P energy: -105.807 tors. eta vs tors. theta energy: -213.255 Dist. restrs. and SS energy: 0.000 (S_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: 50 Temperature: 1.250000 Total energy: -2247.307136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.307136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.307136 (E_RNA) where: Base-Base interactions energy: -1568.063 where: short stacking energy: -646.894 Base-Backbone interact. energy: -1.004 local terms energy: -678.240089 where: bonds (distance) C4'-P energy: -112.157 bonds (distance) P-C4' energy: -146.052 flat angles C4'-P-C4' energy: -144.335 flat angles P-C4'-P energy: -93.060 tors. eta vs tors. theta energy: -182.637 Dist. restrs. and SS energy: 0.000 (S_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: 50 Temperature: 1.300000 Total energy: -2305.837339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.837339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.837339 (E_RNA) where: Base-Base interactions energy: -1639.784 where: short stacking energy: -654.556 Base-Backbone interact. energy: 1.394 local terms energy: -667.447785 where: bonds (distance) C4'-P energy: -96.540 bonds (distance) P-C4' energy: -135.134 flat angles C4'-P-C4' energy: -141.371 flat angles P-C4'-P energy: -100.598 tors. eta vs tors. theta energy: -193.805 Dist. restrs. and SS energy: 0.000 (S_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: 50 Temperature: 1.350000 Total energy: -2074.285641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.285641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.285641 (E_RNA) where: Base-Base interactions energy: -1452.855 where: short stacking energy: -602.522 Base-Backbone interact. energy: -0.469 local terms energy: -620.961729 where: bonds (distance) C4'-P energy: -96.319 bonds (distance) P-C4' energy: -134.730 flat angles C4'-P-C4' energy: -135.766 flat angles P-C4'-P energy: -91.479 tors. eta vs tors. theta energy: -162.667 Dist. restrs. and SS energy: 0.000 (S_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: 51 Temperature: 0.900000 Total energy: -2708.306203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.306203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.306203 (E_RNA) where: Base-Base interactions energy: -1910.208 where: short stacking energy: -754.638 Base-Backbone interact. energy: -1.698 local terms energy: -796.400178 where: bonds (distance) C4'-P energy: -128.372 bonds (distance) P-C4' energy: -158.008 flat angles C4'-P-C4' energy: -168.733 flat angles P-C4'-P energy: -114.529 tors. eta vs tors. theta energy: -226.758 Dist. restrs. and SS energy: 0.000 (S_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: 51 Temperature: 0.950000 Total energy: -2672.303277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.303277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.303277 (E_RNA) where: Base-Base interactions energy: -1904.055 where: short stacking energy: -751.597 Base-Backbone interact. energy: -1.511 local terms energy: -766.737111 where: bonds (distance) C4'-P energy: -117.498 bonds (distance) P-C4' energy: -162.223 flat angles C4'-P-C4' energy: -151.999 flat angles P-C4'-P energy: -111.103 tors. eta vs tors. theta energy: -223.914 Dist. restrs. and SS energy: 0.000 (S_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: 51 Temperature: 1.000000 Total energy: -2650.542390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.542390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.542390 (E_RNA) where: Base-Base interactions energy: -1916.627 where: short stacking energy: -765.120 Base-Backbone interact. energy: -1.262 local terms energy: -732.653657 where: bonds (distance) C4'-P energy: -109.998 bonds (distance) P-C4' energy: -148.196 flat angles C4'-P-C4' energy: -157.157 flat angles P-C4'-P energy: -97.440 tors. eta vs tors. theta energy: -219.863 Dist. restrs. and SS energy: 0.000 (S_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: 51 Temperature: 1.050000 Total energy: -2595.117961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.117961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.117961 (E_RNA) where: Base-Base interactions energy: -1854.459 where: short stacking energy: -747.331 Base-Backbone interact. energy: -1.291 local terms energy: -739.368710 where: bonds (distance) C4'-P energy: -103.115 bonds (distance) P-C4' energy: -140.997 flat angles C4'-P-C4' energy: -159.986 flat angles P-C4'-P energy: -111.063 tors. eta vs tors. theta energy: -224.208 Dist. restrs. and SS energy: 0.000 (S_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: 51 Temperature: 1.100000 Total energy: -2549.325572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.325572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.325572 (E_RNA) where: Base-Base interactions energy: -1821.596 where: short stacking energy: -736.751 Base-Backbone interact. energy: -1.160 local terms energy: -726.569698 where: bonds (distance) C4'-P energy: -104.561 bonds (distance) P-C4' energy: -143.893 flat angles C4'-P-C4' energy: -152.547 flat angles P-C4'-P energy: -102.873 tors. eta vs tors. theta energy: -222.696 Dist. restrs. and SS energy: 0.000 (S_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: 51 Temperature: 1.150000 Total energy: -2475.529746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.529746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.529746 (E_RNA) where: Base-Base interactions energy: -1734.012 where: short stacking energy: -691.925 Base-Backbone interact. energy: -1.309 local terms energy: -740.208322 where: bonds (distance) C4'-P energy: -116.368 bonds (distance) P-C4' energy: -154.986 flat angles C4'-P-C4' energy: -155.676 flat angles P-C4'-P energy: -107.175 tors. eta vs tors. theta energy: -206.002 Dist. restrs. and SS energy: 0.000 (S_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: -2470.573704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.573704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.573704 (E_RNA) where: Base-Base interactions energy: -1761.991 where: short stacking energy: -701.076 Base-Backbone interact. energy: -2.220 local terms energy: -706.362594 where: bonds (distance) C4'-P energy: -111.254 bonds (distance) P-C4' energy: -130.059 flat angles C4'-P-C4' energy: -151.972 flat angles P-C4'-P energy: -99.235 tors. eta vs tors. theta energy: -213.843 Dist. restrs. and SS energy: 0.000 (S_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: 51 Temperature: 1.250000 Total energy: -2396.865077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.865077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.865077 (E_RNA) where: Base-Base interactions energy: -1703.624 where: short stacking energy: -672.621 Base-Backbone interact. energy: -1.403 local terms energy: -691.838120 where: bonds (distance) C4'-P energy: -105.143 bonds (distance) P-C4' energy: -139.070 flat angles C4'-P-C4' energy: -153.257 flat angles P-C4'-P energy: -86.186 tors. eta vs tors. theta energy: -208.183 Dist. restrs. and SS energy: 0.000 (S_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: 51 Temperature: 1.300000 Total energy: -2211.183625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.183625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.183625 (E_RNA) where: Base-Base interactions energy: -1562.225 where: short stacking energy: -634.894 Base-Backbone interact. energy: -1.157 local terms energy: -647.801501 where: bonds (distance) C4'-P energy: -102.691 bonds (distance) P-C4' energy: -137.787 flat angles C4'-P-C4' energy: -140.345 flat angles P-C4'-P energy: -80.319 tors. eta vs tors. theta energy: -186.659 Dist. restrs. and SS energy: 0.000 (S_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: 51 Temperature: 1.350000 Total energy: -2008.675239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.675239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.675239 (E_RNA) where: Base-Base interactions energy: -1385.778 where: short stacking energy: -558.029 Base-Backbone interact. energy: 3.407 local terms energy: -626.304370 where: bonds (distance) C4'-P energy: -110.957 bonds (distance) P-C4' energy: -146.098 flat angles C4'-P-C4' energy: -127.745 flat angles P-C4'-P energy: -95.338 tors. eta vs tors. theta energy: -146.167 Dist. restrs. and SS energy: 0.000 (S_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: 52 Temperature: 0.900000 Total energy: -2727.393207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.393207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.393207 (E_RNA) where: Base-Base interactions energy: -1938.022 where: short stacking energy: -778.576 Base-Backbone interact. energy: -1.603 local terms energy: -787.767407 where: bonds (distance) C4'-P energy: -116.973 bonds (distance) P-C4' energy: -154.408 flat angles C4'-P-C4' energy: -169.159 flat angles P-C4'-P energy: -116.775 tors. eta vs tors. theta energy: -230.451 Dist. restrs. and SS energy: 0.000 (S_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: 52 Temperature: 0.950000 Total energy: -2692.701555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.701555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.701555 (E_RNA) where: Base-Base interactions energy: -1914.360 where: short stacking energy: -762.219 Base-Backbone interact. energy: -2.183 local terms energy: -776.158896 where: bonds (distance) C4'-P energy: -124.707 bonds (distance) P-C4' energy: -156.317 flat angles C4'-P-C4' energy: -162.905 flat angles P-C4'-P energy: -105.285 tors. eta vs tors. theta energy: -226.945 Dist. restrs. and SS energy: 0.000 (S_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: 52 Temperature: 1.000000 Total energy: -2636.759950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.759950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.759950 (E_RNA) where: Base-Base interactions energy: -1883.706 where: short stacking energy: -745.986 Base-Backbone interact. energy: -1.369 local terms energy: -751.684457 where: bonds (distance) C4'-P energy: -122.354 bonds (distance) P-C4' energy: -149.152 flat angles C4'-P-C4' energy: -159.684 flat angles P-C4'-P energy: -103.984 tors. eta vs tors. theta energy: -216.511 Dist. restrs. and SS energy: 0.000 (S_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: 52 Temperature: 1.050000 Total energy: -2610.972759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.972759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.972759 (E_RNA) where: Base-Base interactions energy: -1873.999 where: short stacking energy: -729.049 Base-Backbone interact. energy: -1.959 local terms energy: -735.014794 where: bonds (distance) C4'-P energy: -106.114 bonds (distance) P-C4' energy: -158.712 flat angles C4'-P-C4' energy: -155.572 flat angles P-C4'-P energy: -98.368 tors. eta vs tors. theta energy: -216.249 Dist. restrs. and SS energy: 0.000 (S_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: 52 Temperature: 1.100000 Total energy: -2560.401576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.401576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.401576 (E_RNA) where: Base-Base interactions energy: -1838.796 where: short stacking energy: -740.586 Base-Backbone interact. energy: -2.384 local terms energy: -719.221187 where: bonds (distance) C4'-P energy: -109.778 bonds (distance) P-C4' energy: -138.720 flat angles C4'-P-C4' energy: -158.654 flat angles P-C4'-P energy: -97.555 tors. eta vs tors. theta energy: -214.515 Dist. restrs. and SS energy: 0.000 (S_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: 52 Temperature: 1.150000 Total energy: -2499.086336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.086336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.086336 (E_RNA) where: Base-Base interactions energy: -1771.178 where: short stacking energy: -716.864 Base-Backbone interact. energy: -1.291 local terms energy: -726.617494 where: bonds (distance) C4'-P energy: -121.955 bonds (distance) P-C4' energy: -148.459 flat angles C4'-P-C4' energy: -138.621 flat angles P-C4'-P energy: -97.310 tors. eta vs tors. theta energy: -220.272 Dist. restrs. and SS energy: 0.000 (S_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: 52 Temperature: 1.200000 Total energy: -2397.128251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.128251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.128251 (E_RNA) where: Base-Base interactions energy: -1704.681 where: short stacking energy: -689.130 Base-Backbone interact. energy: -0.640 local terms energy: -691.806717 where: bonds (distance) C4'-P energy: -110.586 bonds (distance) P-C4' energy: -133.399 flat angles C4'-P-C4' energy: -144.471 flat angles P-C4'-P energy: -102.548 tors. eta vs tors. theta energy: -200.802 Dist. restrs. and SS energy: 0.000 (S_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: -2438.950448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.950448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.950448 (E_RNA) where: Base-Base interactions energy: -1728.947 where: short stacking energy: -685.275 Base-Backbone interact. energy: -1.254 local terms energy: -708.749336 where: bonds (distance) C4'-P energy: -95.403 bonds (distance) P-C4' energy: -145.485 flat angles C4'-P-C4' energy: -147.661 flat angles P-C4'-P energy: -106.060 tors. eta vs tors. theta energy: -214.140 Dist. restrs. and SS energy: 0.000 (S_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: 52 Temperature: 1.300000 Total energy: -2193.665820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.665820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.665820 (E_RNA) where: Base-Base interactions energy: -1540.026 where: short stacking energy: -624.262 Base-Backbone interact. energy: -1.166 local terms energy: -652.473885 where: bonds (distance) C4'-P energy: -97.537 bonds (distance) P-C4' energy: -132.430 flat angles C4'-P-C4' energy: -137.968 flat angles P-C4'-P energy: -105.127 tors. eta vs tors. theta energy: -179.411 Dist. restrs. and SS energy: 0.000 (S_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: 52 Temperature: 1.350000 Total energy: -1994.052129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.052129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.052129 (E_RNA) where: Base-Base interactions energy: -1366.478 where: short stacking energy: -549.716 Base-Backbone interact. energy: -0.869 local terms energy: -626.705672 where: bonds (distance) C4'-P energy: -102.559 bonds (distance) P-C4' energy: -141.091 flat angles C4'-P-C4' energy: -137.463 flat angles P-C4'-P energy: -86.066 tors. eta vs tors. theta energy: -159.527 Dist. restrs. and SS energy: 0.000 (S_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: 53 Temperature: 0.900000 Total energy: -2717.782000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.782000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.782000 (E_RNA) where: Base-Base interactions energy: -1954.172 where: short stacking energy: -770.807 Base-Backbone interact. energy: -1.283 local terms energy: -762.326360 where: bonds (distance) C4'-P energy: -117.299 bonds (distance) P-C4' energy: -141.781 flat angles C4'-P-C4' energy: -156.209 flat angles P-C4'-P energy: -116.151 tors. eta vs tors. theta energy: -230.887 Dist. restrs. and SS energy: 0.000 (S_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: 53 Temperature: 0.950000 Total energy: -2673.336753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.336753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.336753 (E_RNA) where: Base-Base interactions energy: -1915.568 where: short stacking energy: -754.360 Base-Backbone interact. energy: -0.792 local terms energy: -756.976666 where: bonds (distance) C4'-P energy: -120.261 bonds (distance) P-C4' energy: -148.971 flat angles C4'-P-C4' energy: -162.041 flat angles P-C4'-P energy: -110.160 tors. eta vs tors. theta energy: -215.544 Dist. restrs. and SS energy: 0.000 (S_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: 53 Temperature: 1.000000 Total energy: -2632.051155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.051155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.051155 (E_RNA) where: Base-Base interactions energy: -1882.656 where: short stacking energy: -738.126 Base-Backbone interact. energy: -2.711 local terms energy: -746.684691 where: bonds (distance) C4'-P energy: -110.245 bonds (distance) P-C4' energy: -157.278 flat angles C4'-P-C4' energy: -151.875 flat angles P-C4'-P energy: -109.077 tors. eta vs tors. theta energy: -218.209 Dist. restrs. and SS energy: 0.000 (S_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: 53 Temperature: 1.050000 Total energy: -2643.375215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.375215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.375215 (E_RNA) where: Base-Base interactions energy: -1909.642 where: short stacking energy: -750.630 Base-Backbone interact. energy: -0.378 local terms energy: -733.354826 where: bonds (distance) C4'-P energy: -112.551 bonds (distance) P-C4' energy: -148.989 flat angles C4'-P-C4' energy: -153.953 flat angles P-C4'-P energy: -99.029 tors. eta vs tors. theta energy: -218.832 Dist. restrs. and SS energy: 0.000 (S_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: -2578.100027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.100027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.100027 (E_RNA) where: Base-Base interactions energy: -1838.861 where: short stacking energy: -727.815 Base-Backbone interact. energy: -1.961 local terms energy: -737.277546 where: bonds (distance) C4'-P energy: -118.967 bonds (distance) P-C4' energy: -147.308 flat angles C4'-P-C4' energy: -154.607 flat angles P-C4'-P energy: -103.928 tors. eta vs tors. theta energy: -212.467 Dist. restrs. and SS energy: 0.000 (S_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: 53 Temperature: 1.150000 Total energy: -2500.635511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.635511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.635511 (E_RNA) where: Base-Base interactions energy: -1772.865 where: short stacking energy: -700.172 Base-Backbone interact. energy: -2.184 local terms energy: -725.586510 where: bonds (distance) C4'-P energy: -108.446 bonds (distance) P-C4' energy: -140.839 flat angles C4'-P-C4' energy: -156.982 flat angles P-C4'-P energy: -105.827 tors. eta vs tors. theta energy: -213.492 Dist. restrs. and SS energy: 0.000 (S_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: 53 Temperature: 1.200000 Total energy: -2416.595767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.595767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.595767 (E_RNA) where: Base-Base interactions energy: -1714.312 where: short stacking energy: -696.987 Base-Backbone interact. energy: -1.675 local terms energy: -700.608804 where: bonds (distance) C4'-P energy: -99.758 bonds (distance) P-C4' energy: -145.263 flat angles C4'-P-C4' energy: -149.848 flat angles P-C4'-P energy: -98.082 tors. eta vs tors. theta energy: -207.659 Dist. restrs. and SS energy: 0.000 (S_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: 53 Temperature: 1.250000 Total energy: -2393.519036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.519036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.519036 (E_RNA) where: Base-Base interactions energy: -1711.126 where: short stacking energy: -715.365 Base-Backbone interact. energy: -1.036 local terms energy: -681.357833 where: bonds (distance) C4'-P energy: -90.178 bonds (distance) P-C4' energy: -130.857 flat angles C4'-P-C4' energy: -142.563 flat angles P-C4'-P energy: -101.316 tors. eta vs tors. theta energy: -216.443 Dist. restrs. and SS energy: 0.000 (S_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: 53 Temperature: 1.300000 Total energy: -2190.919828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.919828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.919828 (E_RNA) where: Base-Base interactions energy: -1526.268 where: short stacking energy: -608.461 Base-Backbone interact. energy: -1.738 local terms energy: -662.913773 where: bonds (distance) C4'-P energy: -112.705 bonds (distance) P-C4' energy: -144.083 flat angles C4'-P-C4' energy: -141.439 flat angles P-C4'-P energy: -76.754 tors. eta vs tors. theta energy: -187.932 Dist. restrs. and SS energy: 0.000 (S_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: 53 Temperature: 1.350000 Total energy: -2142.384128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.384128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.384128 (E_RNA) where: Base-Base interactions energy: -1505.965 where: short stacking energy: -597.169 Base-Backbone interact. energy: 1.849 local terms energy: -638.268506 where: bonds (distance) C4'-P energy: -93.383 bonds (distance) P-C4' energy: -132.292 flat angles C4'-P-C4' energy: -137.639 flat angles P-C4'-P energy: -92.705 tors. eta vs tors. theta energy: -182.251 Dist. restrs. and SS energy: 0.000 (S_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: 54 Temperature: 0.900000 Total energy: -2715.306244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.306244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.306244 (E_RNA) where: Base-Base interactions energy: -1941.337 where: short stacking energy: -757.008 Base-Backbone interact. energy: -3.198 local terms energy: -770.771544 where: bonds (distance) C4'-P energy: -113.195 bonds (distance) P-C4' energy: -157.109 flat angles C4'-P-C4' energy: -157.884 flat angles P-C4'-P energy: -117.315 tors. eta vs tors. theta energy: -225.268 Dist. restrs. and SS energy: 0.000 (S_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: 54 Temperature: 0.950000 Total energy: -2681.701789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.701789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.701789 (E_RNA) where: Base-Base interactions energy: -1917.930 where: short stacking energy: -761.293 Base-Backbone interact. energy: -1.957 local terms energy: -761.815067 where: bonds (distance) C4'-P energy: -125.371 bonds (distance) P-C4' energy: -148.775 flat angles C4'-P-C4' energy: -155.170 flat angles P-C4'-P energy: -112.444 tors. eta vs tors. theta energy: -220.056 Dist. restrs. and SS energy: 0.000 (S_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: 54 Temperature: 1.000000 Total energy: -2640.158813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.158813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.158813 (E_RNA) where: Base-Base interactions energy: -1891.010 where: short stacking energy: -751.176 Base-Backbone interact. energy: -2.793 local terms energy: -746.355345 where: bonds (distance) C4'-P energy: -112.052 bonds (distance) P-C4' energy: -144.232 flat angles C4'-P-C4' energy: -157.215 flat angles P-C4'-P energy: -108.651 tors. eta vs tors. theta energy: -224.206 Dist. restrs. and SS energy: 0.000 (S_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: 54 Temperature: 1.050000 Total energy: -2655.838911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.838911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.838911 (E_RNA) where: Base-Base interactions energy: -1899.746 where: short stacking energy: -744.374 Base-Backbone interact. energy: -0.446 local terms energy: -755.647876 where: bonds (distance) C4'-P energy: -114.387 bonds (distance) P-C4' energy: -150.411 flat angles C4'-P-C4' energy: -159.513 flat angles P-C4'-P energy: -108.086 tors. eta vs tors. theta energy: -223.251 Dist. restrs. and SS energy: 0.000 (S_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: 54 Temperature: 1.100000 Total energy: -2542.085336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.085336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.085336 (E_RNA) where: Base-Base interactions energy: -1812.964 where: short stacking energy: -723.382 Base-Backbone interact. energy: 0.689 local terms energy: -729.810838 where: bonds (distance) C4'-P energy: -107.581 bonds (distance) P-C4' energy: -145.764 flat angles C4'-P-C4' energy: -152.759 flat angles P-C4'-P energy: -105.698 tors. eta vs tors. theta energy: -218.009 Dist. restrs. and SS energy: 0.000 (S_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: 54 Temperature: 1.150000 Total energy: -2483.172801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.172801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.172801 (E_RNA) where: Base-Base interactions energy: -1750.414 where: short stacking energy: -694.467 Base-Backbone interact. energy: 1.021 local terms energy: -733.779592 where: bonds (distance) C4'-P energy: -118.725 bonds (distance) P-C4' energy: -150.017 flat angles C4'-P-C4' energy: -157.537 flat angles P-C4'-P energy: -108.285 tors. eta vs tors. theta energy: -199.214 Dist. restrs. and SS energy: 0.000 (S_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: 54 Temperature: 1.200000 Total energy: -2469.524042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.524042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.524042 (E_RNA) where: Base-Base interactions energy: -1760.644 where: short stacking energy: -704.989 Base-Backbone interact. energy: -1.562 local terms energy: -707.318005 where: bonds (distance) C4'-P energy: -108.223 bonds (distance) P-C4' energy: -135.925 flat angles C4'-P-C4' energy: -148.174 flat angles P-C4'-P energy: -92.216 tors. eta vs tors. theta energy: -222.780 Dist. restrs. and SS energy: 0.000 (S_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: 54 Temperature: 1.250000 Total energy: -2390.955019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.955019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.955019 (E_RNA) where: Base-Base interactions energy: -1693.886 where: short stacking energy: -655.479 Base-Backbone interact. energy: -1.888 local terms energy: -695.181085 where: bonds (distance) C4'-P energy: -108.733 bonds (distance) P-C4' energy: -137.240 flat angles C4'-P-C4' energy: -147.018 flat angles P-C4'-P energy: -93.157 tors. eta vs tors. theta energy: -209.033 Dist. restrs. and SS energy: 0.000 (S_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: 54 Temperature: 1.300000 Total energy: -2215.721118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.721118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.721118 (E_RNA) where: Base-Base interactions energy: -1553.449 where: short stacking energy: -640.594 Base-Backbone interact. energy: -1.450 local terms energy: -660.822500 where: bonds (distance) C4'-P energy: -117.318 bonds (distance) P-C4' energy: -122.755 flat angles C4'-P-C4' energy: -141.901 flat angles P-C4'-P energy: -86.556 tors. eta vs tors. theta energy: -192.292 Dist. restrs. and SS energy: 0.000 (S_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: 54 Temperature: 1.350000 Total energy: -2135.844777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.844777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.844777 (E_RNA) where: Base-Base interactions energy: -1509.449 where: short stacking energy: -598.688 Base-Backbone interact. energy: -0.863 local terms energy: -625.533229 where: bonds (distance) C4'-P energy: -94.938 bonds (distance) P-C4' energy: -135.114 flat angles C4'-P-C4' energy: -130.954 flat angles P-C4'-P energy: -90.613 tors. eta vs tors. theta energy: -173.914 Dist. restrs. and SS energy: 0.000 (S_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: 55 Temperature: 0.900000 Total energy: -2701.570382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.570382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.570382 (E_RNA) where: Base-Base interactions energy: -1908.353 where: short stacking energy: -753.579 Base-Backbone interact. energy: -1.101 local terms energy: -792.116590 where: bonds (distance) C4'-P energy: -132.175 bonds (distance) P-C4' energy: -159.092 flat angles C4'-P-C4' energy: -167.045 flat angles P-C4'-P energy: -110.319 tors. eta vs tors. theta energy: -223.485 Dist. restrs. and SS energy: 0.000 (S_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: 55 Temperature: 0.950000 Total energy: -2683.317822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.317822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.317822 (E_RNA) where: Base-Base interactions energy: -1918.258 where: short stacking energy: -757.050 Base-Backbone interact. energy: -2.096 local terms energy: -762.963907 where: bonds (distance) C4'-P energy: -130.922 bonds (distance) P-C4' energy: -142.260 flat angles C4'-P-C4' energy: -157.147 flat angles P-C4'-P energy: -112.121 tors. eta vs tors. theta energy: -220.514 Dist. restrs. and SS energy: 0.000 (S_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: 55 Temperature: 1.000000 Total energy: -2620.259407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.259407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.259407 (E_RNA) where: Base-Base interactions energy: -1878.339 where: short stacking energy: -739.543 Base-Backbone interact. energy: -1.739 local terms energy: -740.181230 where: bonds (distance) C4'-P energy: -107.980 bonds (distance) P-C4' energy: -145.092 flat angles C4'-P-C4' energy: -159.010 flat angles P-C4'-P energy: -107.492 tors. eta vs tors. theta energy: -220.607 Dist. restrs. and SS energy: 0.000 (S_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: -2636.408555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.408555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.408555 (E_RNA) where: Base-Base interactions energy: -1889.453 where: short stacking energy: -725.394 Base-Backbone interact. energy: -4.445 local terms energy: -742.511064 where: bonds (distance) C4'-P energy: -111.296 bonds (distance) P-C4' energy: -150.892 flat angles C4'-P-C4' energy: -151.919 flat angles P-C4'-P energy: -109.912 tors. eta vs tors. theta energy: -218.492 Dist. restrs. and SS energy: 0.000 (S_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: 55 Temperature: 1.100000 Total energy: -2592.641754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.641754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.641754 (E_RNA) where: Base-Base interactions energy: -1854.467 where: short stacking energy: -739.815 Base-Backbone interact. energy: -1.617 local terms energy: -736.557401 where: bonds (distance) C4'-P energy: -112.989 bonds (distance) P-C4' energy: -151.998 flat angles C4'-P-C4' energy: -144.768 flat angles P-C4'-P energy: -104.468 tors. eta vs tors. theta energy: -222.335 Dist. restrs. and SS energy: 0.000 (S_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: 55 Temperature: 1.150000 Total energy: -2493.899313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.899313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.899313 (E_RNA) where: Base-Base interactions energy: -1758.294 where: short stacking energy: -726.374 Base-Backbone interact. energy: -1.900 local terms energy: -733.705161 where: bonds (distance) C4'-P energy: -118.498 bonds (distance) P-C4' energy: -145.282 flat angles C4'-P-C4' energy: -156.170 flat angles P-C4'-P energy: -98.923 tors. eta vs tors. theta energy: -214.832 Dist. restrs. and SS energy: 0.000 (S_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: 55 Temperature: 1.200000 Total energy: -2467.064231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.064231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.064231 (E_RNA) where: Base-Base interactions energy: -1756.272 where: short stacking energy: -703.342 Base-Backbone interact. energy: -1.349 local terms energy: -709.443279 where: bonds (distance) C4'-P energy: -105.559 bonds (distance) P-C4' energy: -145.696 flat angles C4'-P-C4' energy: -152.068 flat angles P-C4'-P energy: -97.165 tors. eta vs tors. theta energy: -208.955 Dist. restrs. and SS energy: 0.000 (S_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: 55 Temperature: 1.250000 Total energy: -2333.989059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.989059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.989059 (E_RNA) where: Base-Base interactions energy: -1660.726 where: short stacking energy: -655.985 Base-Backbone interact. energy: -0.447 local terms energy: -672.815369 where: bonds (distance) C4'-P energy: -99.089 bonds (distance) P-C4' energy: -144.722 flat angles C4'-P-C4' energy: -141.650 flat angles P-C4'-P energy: -89.612 tors. eta vs tors. theta energy: -197.743 Dist. restrs. and SS energy: 0.000 (S_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: 55 Temperature: 1.300000 Total energy: -2211.813352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.813352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.813352 (E_RNA) where: Base-Base interactions energy: -1555.437 where: short stacking energy: -628.282 Base-Backbone interact. energy: -1.057 local terms energy: -655.319298 where: bonds (distance) C4'-P energy: -116.650 bonds (distance) P-C4' energy: -123.363 flat angles C4'-P-C4' energy: -142.674 flat angles P-C4'-P energy: -92.539 tors. eta vs tors. theta energy: -180.093 Dist. restrs. and SS energy: 0.000 (S_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: 55 Temperature: 1.350000 Total energy: -2156.989484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.989484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.989484 (E_RNA) where: Base-Base interactions energy: -1515.396 where: short stacking energy: -608.127 Base-Backbone interact. energy: 0.413 local terms energy: -642.006718 where: bonds (distance) C4'-P energy: -98.408 bonds (distance) P-C4' energy: -136.891 flat angles C4'-P-C4' energy: -136.697 flat angles P-C4'-P energy: -92.466 tors. eta vs tors. theta energy: -177.545 Dist. restrs. and SS energy: 0.000 (S_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: 56 Temperature: 0.900000 Total energy: -2696.048584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.048584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.048584 (E_RNA) where: Base-Base interactions energy: -1931.019 where: short stacking energy: -766.475 Base-Backbone interact. energy: -2.905 local terms energy: -762.124841 where: bonds (distance) C4'-P energy: -120.423 bonds (distance) P-C4' energy: -147.448 flat angles C4'-P-C4' energy: -160.561 flat angles P-C4'-P energy: -110.028 tors. eta vs tors. theta energy: -223.666 Dist. restrs. and SS energy: 0.000 (S_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: 56 Temperature: 0.950000 Total energy: -2665.711259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.711259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.711259 (E_RNA) where: Base-Base interactions energy: -1907.419 where: short stacking energy: -751.302 Base-Backbone interact. energy: -1.654 local terms energy: -756.638343 where: bonds (distance) C4'-P energy: -112.474 bonds (distance) P-C4' energy: -160.184 flat angles C4'-P-C4' energy: -155.041 flat angles P-C4'-P energy: -108.424 tors. eta vs tors. theta energy: -220.516 Dist. restrs. and SS energy: 0.000 (S_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: -2653.796216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.796216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.796216 (E_RNA) where: Base-Base interactions energy: -1887.636 where: short stacking energy: -735.205 Base-Backbone interact. energy: -1.049 local terms energy: -765.110769 where: bonds (distance) C4'-P energy: -117.658 bonds (distance) P-C4' energy: -155.683 flat angles C4'-P-C4' energy: -159.873 flat angles P-C4'-P energy: -113.608 tors. eta vs tors. theta energy: -218.290 Dist. restrs. and SS energy: 0.000 (S_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: 56 Temperature: 1.050000 Total energy: -2606.093033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.093033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.093033 (E_RNA) where: Base-Base interactions energy: -1877.892 where: short stacking energy: -734.953 Base-Backbone interact. energy: -1.392 local terms energy: -726.808868 where: bonds (distance) C4'-P energy: -97.336 bonds (distance) P-C4' energy: -149.809 flat angles C4'-P-C4' energy: -152.181 flat angles P-C4'-P energy: -108.881 tors. eta vs tors. theta energy: -218.602 Dist. restrs. and SS energy: 0.000 (S_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: 56 Temperature: 1.100000 Total energy: -2560.989302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.989302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.989302 (E_RNA) where: Base-Base interactions energy: -1843.814 where: short stacking energy: -743.117 Base-Backbone interact. energy: -3.610 local terms energy: -713.565746 where: bonds (distance) C4'-P energy: -110.944 bonds (distance) P-C4' energy: -139.484 flat angles C4'-P-C4' energy: -148.510 flat angles P-C4'-P energy: -101.419 tors. eta vs tors. theta energy: -213.209 Dist. restrs. and SS energy: 0.000 (S_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: 56 Temperature: 1.150000 Total energy: -2498.040604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.040604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.040604 (E_RNA) where: Base-Base interactions energy: -1771.585 where: short stacking energy: -726.895 Base-Backbone interact. energy: 3.815 local terms energy: -730.270948 where: bonds (distance) C4'-P energy: -112.219 bonds (distance) P-C4' energy: -145.757 flat angles C4'-P-C4' energy: -143.803 flat angles P-C4'-P energy: -103.508 tors. eta vs tors. theta energy: -224.984 Dist. restrs. and SS energy: 0.000 (S_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: 56 Temperature: 1.200000 Total energy: -2444.327676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.327676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.327676 (E_RNA) where: Base-Base interactions energy: -1738.238 where: short stacking energy: -677.024 Base-Backbone interact. energy: -1.880 local terms energy: -704.209564 where: bonds (distance) C4'-P energy: -113.787 bonds (distance) P-C4' energy: -135.519 flat angles C4'-P-C4' energy: -147.129 flat angles P-C4'-P energy: -95.475 tors. eta vs tors. theta energy: -212.300 Dist. restrs. and SS energy: 0.000 (S_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: 56 Temperature: 1.250000 Total energy: -2368.282746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.282746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.282746 (E_RNA) where: Base-Base interactions energy: -1681.388 where: short stacking energy: -690.063 Base-Backbone interact. energy: 0.422 local terms energy: -687.317236 where: bonds (distance) C4'-P energy: -105.116 bonds (distance) P-C4' energy: -132.528 flat angles C4'-P-C4' energy: -151.933 flat angles P-C4'-P energy: -88.324 tors. eta vs tors. theta energy: -209.417 Dist. restrs. and SS energy: 0.000 (S_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: 56 Temperature: 1.300000 Total energy: -2167.981132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.981132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.981132 (E_RNA) where: Base-Base interactions energy: -1521.648 where: short stacking energy: -622.969 Base-Backbone interact. energy: -0.621 local terms energy: -645.711369 where: bonds (distance) C4'-P energy: -107.953 bonds (distance) P-C4' energy: -126.174 flat angles C4'-P-C4' energy: -134.594 flat angles P-C4'-P energy: -98.147 tors. eta vs tors. theta energy: -178.844 Dist. restrs. and SS energy: 0.000 (S_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: 56 Temperature: 1.350000 Total energy: -2106.015749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.015749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.015749 (E_RNA) where: Base-Base interactions energy: -1485.311 where: short stacking energy: -601.901 Base-Backbone interact. energy: -0.986 local terms energy: -619.719039 where: bonds (distance) C4'-P energy: -104.650 bonds (distance) P-C4' energy: -115.210 flat angles C4'-P-C4' energy: -143.092 flat angles P-C4'-P energy: -80.143 tors. eta vs tors. theta energy: -176.625 Dist. restrs. and SS energy: 0.000 (S_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: 57 Temperature: 0.900000 Total energy: -2705.972510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.972510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.972510 (E_RNA) where: Base-Base interactions energy: -1920.106 where: short stacking energy: -761.174 Base-Backbone interact. energy: -5.301 local terms energy: -780.565923 where: bonds (distance) C4'-P energy: -123.839 bonds (distance) P-C4' energy: -151.020 flat angles C4'-P-C4' energy: -168.419 flat angles P-C4'-P energy: -111.148 tors. eta vs tors. theta energy: -226.140 Dist. restrs. and SS energy: 0.000 (S_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: -2676.595672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.595672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.595672 (E_RNA) where: Base-Base interactions energy: -1912.246 where: short stacking energy: -755.900 Base-Backbone interact. energy: 0.882 local terms energy: -765.232354 where: bonds (distance) C4'-P energy: -116.541 bonds (distance) P-C4' energy: -154.963 flat angles C4'-P-C4' energy: -157.984 flat angles P-C4'-P energy: -115.535 tors. eta vs tors. theta energy: -220.209 Dist. restrs. and SS energy: 0.000 (S_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: 57 Temperature: 1.000000 Total energy: -2649.579447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.579447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.579447 (E_RNA) where: Base-Base interactions energy: -1893.543 where: short stacking energy: -745.439 Base-Backbone interact. energy: -2.153 local terms energy: -753.883789 where: bonds (distance) C4'-P energy: -116.920 bonds (distance) P-C4' energy: -144.550 flat angles C4'-P-C4' energy: -155.988 flat angles P-C4'-P energy: -110.775 tors. eta vs tors. theta energy: -225.651 Dist. restrs. and SS energy: 0.000 (S_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: -2598.323046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.323046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.323046 (E_RNA) where: Base-Base interactions energy: -1851.317 where: short stacking energy: -746.955 Base-Backbone interact. energy: 1.214 local terms energy: -748.219728 where: bonds (distance) C4'-P energy: -125.862 bonds (distance) P-C4' energy: -129.105 flat angles C4'-P-C4' energy: -160.002 flat angles P-C4'-P energy: -112.888 tors. eta vs tors. theta energy: -220.364 Dist. restrs. and SS energy: 0.000 (S_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: 57 Temperature: 1.100000 Total energy: -2567.686628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.686628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.686628 (E_RNA) where: Base-Base interactions energy: -1843.672 where: short stacking energy: -734.703 Base-Backbone interact. energy: -0.926 local terms energy: -723.088909 where: bonds (distance) C4'-P energy: -111.065 bonds (distance) P-C4' energy: -141.410 flat angles C4'-P-C4' energy: -153.112 flat angles P-C4'-P energy: -101.417 tors. eta vs tors. theta energy: -216.085 Dist. restrs. and SS energy: 0.000 (S_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: 57 Temperature: 1.150000 Total energy: -2504.648563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.648563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.648563 (E_RNA) where: Base-Base interactions energy: -1769.616 where: short stacking energy: -724.907 Base-Backbone interact. energy: -2.101 local terms energy: -732.931379 where: bonds (distance) C4'-P energy: -115.576 bonds (distance) P-C4' energy: -144.082 flat angles C4'-P-C4' energy: -148.065 flat angles P-C4'-P energy: -100.273 tors. eta vs tors. theta energy: -224.936 Dist. restrs. and SS energy: 0.000 (S_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: 57 Temperature: 1.200000 Total energy: -2425.738931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.738931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.738931 (E_RNA) where: Base-Base interactions energy: -1748.374 where: short stacking energy: -709.204 Base-Backbone interact. energy: -1.159 local terms energy: -676.206146 where: bonds (distance) C4'-P energy: -97.059 bonds (distance) P-C4' energy: -113.234 flat angles C4'-P-C4' energy: -147.336 flat angles P-C4'-P energy: -108.246 tors. eta vs tors. theta energy: -210.331 Dist. restrs. and SS energy: 0.000 (S_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: 57 Temperature: 1.250000 Total energy: -2371.521725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.521725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.521725 (E_RNA) where: Base-Base interactions energy: -1682.718 where: short stacking energy: -689.319 Base-Backbone interact. energy: -1.272 local terms energy: -687.531890 where: bonds (distance) C4'-P energy: -107.037 bonds (distance) P-C4' energy: -138.162 flat angles C4'-P-C4' energy: -151.014 flat angles P-C4'-P energy: -88.435 tors. eta vs tors. theta energy: -202.884 Dist. restrs. and SS energy: 0.000 (S_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: 57 Temperature: 1.300000 Total energy: -2164.564675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.564675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.564675 (E_RNA) where: Base-Base interactions energy: -1512.311 where: short stacking energy: -612.041 Base-Backbone interact. energy: -1.812 local terms energy: -650.441317 where: bonds (distance) C4'-P energy: -99.346 bonds (distance) P-C4' energy: -141.738 flat angles C4'-P-C4' energy: -143.839 flat angles P-C4'-P energy: -89.617 tors. eta vs tors. theta energy: -175.901 Dist. restrs. and SS energy: 0.000 (S_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: 57 Temperature: 1.350000 Total energy: -2089.160528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.160528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.160528 (E_RNA) where: Base-Base interactions energy: -1454.282 where: short stacking energy: -601.711 Base-Backbone interact. energy: -2.068 local terms energy: -632.810279 where: bonds (distance) C4'-P energy: -99.152 bonds (distance) P-C4' energy: -135.769 flat angles C4'-P-C4' energy: -132.286 flat angles P-C4'-P energy: -94.272 tors. eta vs tors. theta energy: -171.332 Dist. restrs. and SS energy: 0.000 (S_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: 58 Temperature: 0.900000 Total energy: -2691.928470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.928470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.928470 (E_RNA) where: Base-Base interactions energy: -1910.306 where: short stacking energy: -758.112 Base-Backbone interact. energy: -2.101 local terms energy: -779.521528 where: bonds (distance) C4'-P energy: -127.737 bonds (distance) P-C4' energy: -159.147 flat angles C4'-P-C4' energy: -159.515 flat angles P-C4'-P energy: -111.424 tors. eta vs tors. theta energy: -221.698 Dist. restrs. and SS energy: 0.000 (S_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: 58 Temperature: 0.950000 Total energy: -2684.031722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.031722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.031722 (E_RNA) where: Base-Base interactions energy: -1914.011 where: short stacking energy: -754.379 Base-Backbone interact. energy: -0.835 local terms energy: -769.185662 where: bonds (distance) C4'-P energy: -117.260 bonds (distance) P-C4' energy: -149.825 flat angles C4'-P-C4' energy: -159.881 flat angles P-C4'-P energy: -119.458 tors. eta vs tors. theta energy: -222.761 Dist. restrs. and SS energy: 0.000 (S_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: 58 Temperature: 1.000000 Total energy: -2632.253543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.253543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.253543 (E_RNA) where: Base-Base interactions energy: -1884.130 where: short stacking energy: -744.454 Base-Backbone interact. energy: -1.253 local terms energy: -746.871211 where: bonds (distance) C4'-P energy: -116.920 bonds (distance) P-C4' energy: -153.952 flat angles C4'-P-C4' energy: -150.193 flat angles P-C4'-P energy: -104.660 tors. eta vs tors. theta energy: -221.145 Dist. restrs. and SS energy: 0.000 (S_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: 58 Temperature: 1.050000 Total energy: -2600.081924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.081924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.081924 (E_RNA) where: Base-Base interactions energy: -1853.762 where: short stacking energy: -718.446 Base-Backbone interact. energy: 2.444 local terms energy: -748.764083 where: bonds (distance) C4'-P energy: -123.149 bonds (distance) P-C4' energy: -148.213 flat angles C4'-P-C4' energy: -153.071 flat angles P-C4'-P energy: -105.887 tors. eta vs tors. theta energy: -218.444 Dist. restrs. and SS energy: 0.000 (S_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: 58 Temperature: 1.100000 Total energy: -2570.865972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.865972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.865972 (E_RNA) where: Base-Base interactions energy: -1849.622 where: short stacking energy: -730.347 Base-Backbone interact. energy: -3.232 local terms energy: -718.011481 where: bonds (distance) C4'-P energy: -104.653 bonds (distance) P-C4' energy: -135.966 flat angles C4'-P-C4' energy: -154.205 flat angles P-C4'-P energy: -104.041 tors. eta vs tors. theta energy: -219.146 Dist. restrs. and SS energy: 0.000 (S_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: 58 Temperature: 1.150000 Total energy: -2503.883289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.883289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.883289 (E_RNA) where: Base-Base interactions energy: -1775.531 where: short stacking energy: -710.572 Base-Backbone interact. energy: -1.609 local terms energy: -726.743836 where: bonds (distance) C4'-P energy: -105.486 bonds (distance) P-C4' energy: -139.572 flat angles C4'-P-C4' energy: -159.871 flat angles P-C4'-P energy: -101.568 tors. eta vs tors. theta energy: -220.247 Dist. restrs. and SS energy: 0.000 (S_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: 58 Temperature: 1.200000 Total energy: -2468.052790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.052790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.052790 (E_RNA) where: Base-Base interactions energy: -1763.057 where: short stacking energy: -713.397 Base-Backbone interact. energy: -2.146 local terms energy: -702.849447 where: bonds (distance) C4'-P energy: -105.294 bonds (distance) P-C4' energy: -140.024 flat angles C4'-P-C4' energy: -151.176 flat angles P-C4'-P energy: -96.089 tors. eta vs tors. theta energy: -210.266 Dist. restrs. and SS energy: 0.000 (S_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: 58 Temperature: 1.250000 Total energy: -2369.772652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.772652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.772652 (E_RNA) where: Base-Base interactions energy: -1710.240 where: short stacking energy: -682.887 Base-Backbone interact. energy: 4.835 local terms energy: -664.366901 where: bonds (distance) C4'-P energy: -92.416 bonds (distance) P-C4' energy: -131.248 flat angles C4'-P-C4' energy: -146.321 flat angles P-C4'-P energy: -96.523 tors. eta vs tors. theta energy: -197.859 Dist. restrs. and SS energy: 0.000 (S_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: 58 Temperature: 1.300000 Total energy: -2180.822158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.822158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.822158 (E_RNA) where: Base-Base interactions energy: -1546.388 where: short stacking energy: -642.362 Base-Backbone interact. energy: -1.805 local terms energy: -632.628949 where: bonds (distance) C4'-P energy: -93.802 bonds (distance) P-C4' energy: -133.044 flat angles C4'-P-C4' energy: -132.799 flat angles P-C4'-P energy: -95.377 tors. eta vs tors. theta energy: -177.606 Dist. restrs. and SS energy: 0.000 (S_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: 58 Temperature: 1.350000 Total energy: -2084.227376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.227376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.227376 (E_RNA) where: Base-Base interactions energy: -1463.655 where: short stacking energy: -600.422 Base-Backbone interact. energy: -0.843 local terms energy: -619.729884 where: bonds (distance) C4'-P energy: -96.422 bonds (distance) P-C4' energy: -141.667 flat angles C4'-P-C4' energy: -136.543 flat angles P-C4'-P energy: -78.646 tors. eta vs tors. theta energy: -166.452 Dist. restrs. and SS energy: 0.000 (S_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: 59 Temperature: 0.900000 Total energy: -2680.549252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.549252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.549252 (E_RNA) where: Base-Base interactions energy: -1911.275 where: short stacking energy: -754.941 Base-Backbone interact. energy: -3.107 local terms energy: -766.167394 where: bonds (distance) C4'-P energy: -115.268 bonds (distance) P-C4' energy: -162.697 flat angles C4'-P-C4' energy: -154.019 flat angles P-C4'-P energy: -110.973 tors. eta vs tors. theta energy: -223.211 Dist. restrs. and SS energy: 0.000 (S_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: 59 Temperature: 0.950000 Total energy: -2666.861418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.861418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.861418 (E_RNA) where: Base-Base interactions energy: -1909.996 where: short stacking energy: -763.498 Base-Backbone interact. energy: -0.683 local terms energy: -756.183018 where: bonds (distance) C4'-P energy: -113.034 bonds (distance) P-C4' energy: -150.477 flat angles C4'-P-C4' energy: -155.873 flat angles P-C4'-P energy: -111.207 tors. eta vs tors. theta energy: -225.592 Dist. restrs. and SS energy: 0.000 (S_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: 59 Temperature: 1.000000 Total energy: -2648.897586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.897586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.897586 (E_RNA) where: Base-Base interactions energy: -1891.517 where: short stacking energy: -732.988 Base-Backbone interact. energy: -1.122 local terms energy: -756.259113 where: bonds (distance) C4'-P energy: -114.586 bonds (distance) P-C4' energy: -150.136 flat angles C4'-P-C4' energy: -157.789 flat angles P-C4'-P energy: -114.176 tors. eta vs tors. theta energy: -219.573 Dist. restrs. and SS energy: 0.000 (S_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: 59 Temperature: 1.050000 Total energy: -2601.778113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.778113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.778113 (E_RNA) where: Base-Base interactions energy: -1874.304 where: short stacking energy: -746.573 Base-Backbone interact. energy: -1.844 local terms energy: -725.629406 where: bonds (distance) C4'-P energy: -109.202 bonds (distance) P-C4' energy: -149.937 flat angles C4'-P-C4' energy: -156.186 flat angles P-C4'-P energy: -91.052 tors. eta vs tors. theta energy: -219.252 Dist. restrs. and SS energy: 0.000 (S_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: 59 Temperature: 1.100000 Total energy: -2543.206906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.206906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.206906 (E_RNA) where: Base-Base interactions energy: -1815.000 where: short stacking energy: -711.671 Base-Backbone interact. energy: -0.702 local terms energy: -727.505306 where: bonds (distance) C4'-P energy: -114.451 bonds (distance) P-C4' energy: -144.258 flat angles C4'-P-C4' energy: -154.142 flat angles P-C4'-P energy: -105.115 tors. eta vs tors. theta energy: -209.540 Dist. restrs. and SS energy: 0.000 (S_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: -2489.681980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.681980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.681980 (E_RNA) where: Base-Base interactions energy: -1764.819 where: short stacking energy: -717.297 Base-Backbone interact. energy: 0.103 local terms energy: -724.966021 where: bonds (distance) C4'-P energy: -100.495 bonds (distance) P-C4' energy: -152.252 flat angles C4'-P-C4' energy: -153.536 flat angles P-C4'-P energy: -99.150 tors. eta vs tors. theta energy: -219.533 Dist. restrs. and SS energy: 0.000 (S_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: -2430.858628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.858628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.858628 (E_RNA) where: Base-Base interactions energy: -1728.324 where: short stacking energy: -665.316 Base-Backbone interact. energy: 4.250 local terms energy: -706.784682 where: bonds (distance) C4'-P energy: -106.338 bonds (distance) P-C4' energy: -138.864 flat angles C4'-P-C4' energy: -149.599 flat angles P-C4'-P energy: -103.525 tors. eta vs tors. theta energy: -208.459 Dist. restrs. and SS energy: 0.000 (S_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: 59 Temperature: 1.250000 Total energy: -2347.679750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.679750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.679750 (E_RNA) where: Base-Base interactions energy: -1653.025 where: short stacking energy: -646.273 Base-Backbone interact. energy: -0.946 local terms energy: -693.708375 where: bonds (distance) C4'-P energy: -107.049 bonds (distance) P-C4' energy: -139.626 flat angles C4'-P-C4' energy: -150.413 flat angles P-C4'-P energy: -93.796 tors. eta vs tors. theta energy: -202.825 Dist. restrs. and SS energy: 0.000 (S_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: -2188.854626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.854626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.854626 (E_RNA) where: Base-Base interactions energy: -1516.742 where: short stacking energy: -622.877 Base-Backbone interact. energy: -0.761 local terms energy: -671.351301 where: bonds (distance) C4'-P energy: -116.889 bonds (distance) P-C4' energy: -134.106 flat angles C4'-P-C4' energy: -141.235 flat angles P-C4'-P energy: -97.341 tors. eta vs tors. theta energy: -181.780 Dist. restrs. and SS energy: 0.000 (S_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: 59 Temperature: 1.350000 Total energy: -2061.512322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.512322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.512322 (E_RNA) where: Base-Base interactions energy: -1442.713 where: short stacking energy: -584.562 Base-Backbone interact. energy: -0.880 local terms energy: -617.918987 where: bonds (distance) C4'-P energy: -107.093 bonds (distance) P-C4' energy: -124.796 flat angles C4'-P-C4' energy: -135.760 flat angles P-C4'-P energy: -91.243 tors. eta vs tors. theta energy: -159.027 Dist. restrs. and SS energy: 0.000 (S_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: 60 Temperature: 0.900000 Total energy: -2700.828057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.828057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.828057 (E_RNA) where: Base-Base interactions energy: -1945.079 where: short stacking energy: -774.907 Base-Backbone interact. energy: 1.856 local terms energy: -757.605572 where: bonds (distance) C4'-P energy: -113.952 bonds (distance) P-C4' energy: -151.254 flat angles C4'-P-C4' energy: -157.263 flat angles P-C4'-P energy: -115.219 tors. eta vs tors. theta energy: -219.917 Dist. restrs. and SS energy: 0.000 (S_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: -2680.919279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.919279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.919279 (E_RNA) where: Base-Base interactions energy: -1923.093 where: short stacking energy: -779.818 Base-Backbone interact. energy: -3.324 local terms energy: -754.501936 where: bonds (distance) C4'-P energy: -119.540 bonds (distance) P-C4' energy: -143.266 flat angles C4'-P-C4' energy: -157.531 flat angles P-C4'-P energy: -109.744 tors. eta vs tors. theta energy: -224.420 Dist. restrs. and SS energy: 0.000 (S_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: -2647.468507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.468507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.468507 (E_RNA) where: Base-Base interactions energy: -1879.697 where: short stacking energy: -740.935 Base-Backbone interact. energy: -2.694 local terms energy: -765.077127 where: bonds (distance) C4'-P energy: -122.376 bonds (distance) P-C4' energy: -152.514 flat angles C4'-P-C4' energy: -158.668 flat angles P-C4'-P energy: -107.035 tors. eta vs tors. theta energy: -224.484 Dist. restrs. and SS energy: 0.000 (S_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: 60 Temperature: 1.050000 Total energy: -2582.556826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.556826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.556826 (E_RNA) where: Base-Base interactions energy: -1840.488 where: short stacking energy: -744.162 Base-Backbone interact. energy: -1.667 local terms energy: -740.402700 where: bonds (distance) C4'-P energy: -116.168 bonds (distance) P-C4' energy: -152.128 flat angles C4'-P-C4' energy: -155.500 flat angles P-C4'-P energy: -97.950 tors. eta vs tors. theta energy: -218.657 Dist. restrs. and SS energy: 0.000 (S_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: 60 Temperature: 1.100000 Total energy: -2549.737365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.737365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.737365 (E_RNA) where: Base-Base interactions energy: -1822.379 where: short stacking energy: -719.958 Base-Backbone interact. energy: -1.565 local terms energy: -725.793403 where: bonds (distance) C4'-P energy: -105.814 bonds (distance) P-C4' energy: -155.339 flat angles C4'-P-C4' energy: -147.197 flat angles P-C4'-P energy: -110.601 tors. eta vs tors. theta energy: -206.843 Dist. restrs. and SS energy: 0.000 (S_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: 60 Temperature: 1.150000 Total energy: -2520.185191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.185191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.185191 (E_RNA) where: Base-Base interactions energy: -1787.044 where: short stacking energy: -738.610 Base-Backbone interact. energy: -0.639 local terms energy: -732.501792 where: bonds (distance) C4'-P energy: -110.744 bonds (distance) P-C4' energy: -138.196 flat angles C4'-P-C4' energy: -151.305 flat angles P-C4'-P energy: -108.692 tors. eta vs tors. theta energy: -223.565 Dist. restrs. and SS energy: 0.000 (S_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: 60 Temperature: 1.200000 Total energy: -2433.028190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.028190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.028190 (E_RNA) where: Base-Base interactions energy: -1739.764 where: short stacking energy: -712.751 Base-Backbone interact. energy: -0.907 local terms energy: -692.357274 where: bonds (distance) C4'-P energy: -113.647 bonds (distance) P-C4' energy: -137.903 flat angles C4'-P-C4' energy: -144.916 flat angles P-C4'-P energy: -91.828 tors. eta vs tors. theta energy: -204.063 Dist. restrs. and SS energy: 0.000 (S_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: 60 Temperature: 1.250000 Total energy: -2363.220268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.220268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.220268 (E_RNA) where: Base-Base interactions energy: -1676.377 where: short stacking energy: -668.086 Base-Backbone interact. energy: -1.645 local terms energy: -685.197831 where: bonds (distance) C4'-P energy: -102.342 bonds (distance) P-C4' energy: -137.908 flat angles C4'-P-C4' energy: -150.378 flat angles P-C4'-P energy: -94.502 tors. eta vs tors. theta energy: -200.068 Dist. restrs. and SS energy: 0.000 (S_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: 60 Temperature: 1.300000 Total energy: -2162.240528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.240528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.240528 (E_RNA) where: Base-Base interactions energy: -1527.367 where: short stacking energy: -617.499 Base-Backbone interact. energy: -2.001 local terms energy: -632.872715 where: bonds (distance) C4'-P energy: -108.491 bonds (distance) P-C4' energy: -127.920 flat angles C4'-P-C4' energy: -138.330 flat angles P-C4'-P energy: -84.425 tors. eta vs tors. theta energy: -173.706 Dist. restrs. and SS energy: 0.000 (S_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: 60 Temperature: 1.350000 Total energy: -2137.961477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.961477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.961477 (E_RNA) where: Base-Base interactions energy: -1469.106 where: short stacking energy: -586.617 Base-Backbone interact. energy: -2.857 local terms energy: -665.998615 where: bonds (distance) C4'-P energy: -96.672 bonds (distance) P-C4' energy: -148.830 flat angles C4'-P-C4' energy: -155.215 flat angles P-C4'-P energy: -101.013 tors. eta vs tors. theta energy: -164.268 Dist. restrs. and SS energy: 0.000 (S_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: 61 Temperature: 0.900000 Total energy: -2701.161695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.161695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.161695 (E_RNA) where: Base-Base interactions energy: -1923.483 where: short stacking energy: -770.117 Base-Backbone interact. energy: 0.269 local terms energy: -777.947287 where: bonds (distance) C4'-P energy: -120.111 bonds (distance) P-C4' energy: -160.455 flat angles C4'-P-C4' energy: -161.304 flat angles P-C4'-P energy: -105.911 tors. eta vs tors. theta energy: -230.167 Dist. restrs. and SS energy: 0.000 (S_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: 61 Temperature: 0.950000 Total energy: -2674.376924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.376924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.376924 (E_RNA) where: Base-Base interactions energy: -1914.587 where: short stacking energy: -753.201 Base-Backbone interact. energy: 1.985 local terms energy: -761.775688 where: bonds (distance) C4'-P energy: -123.789 bonds (distance) P-C4' energy: -144.380 flat angles C4'-P-C4' energy: -169.913 flat angles P-C4'-P energy: -106.843 tors. eta vs tors. theta energy: -216.850 Dist. restrs. and SS energy: 0.000 (S_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: 61 Temperature: 1.000000 Total energy: -2651.416619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.416619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.416619 (E_RNA) where: Base-Base interactions energy: -1871.338 where: short stacking energy: -741.274 Base-Backbone interact. energy: -3.304 local terms energy: -776.774191 where: bonds (distance) C4'-P energy: -126.175 bonds (distance) P-C4' energy: -148.436 flat angles C4'-P-C4' energy: -161.694 flat angles P-C4'-P energy: -114.147 tors. eta vs tors. theta energy: -226.321 Dist. restrs. and SS energy: 0.000 (S_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: 61 Temperature: 1.050000 Total energy: -2591.607102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.607102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.607102 (E_RNA) where: Base-Base interactions energy: -1843.134 where: short stacking energy: -745.710 Base-Backbone interact. energy: -1.215 local terms energy: -747.257932 where: bonds (distance) C4'-P energy: -116.504 bonds (distance) P-C4' energy: -139.824 flat angles C4'-P-C4' energy: -165.761 flat angles P-C4'-P energy: -108.253 tors. eta vs tors. theta energy: -216.916 Dist. restrs. and SS energy: 0.000 (S_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: 61 Temperature: 1.100000 Total energy: -2561.282970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.282970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.282970 (E_RNA) where: Base-Base interactions energy: -1850.299 where: short stacking energy: -739.963 Base-Backbone interact. energy: -0.432 local terms energy: -710.552029 where: bonds (distance) C4'-P energy: -113.975 bonds (distance) P-C4' energy: -137.736 flat angles C4'-P-C4' energy: -154.896 flat angles P-C4'-P energy: -87.438 tors. eta vs tors. theta energy: -216.507 Dist. restrs. and SS energy: 0.000 (S_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: 61 Temperature: 1.150000 Total energy: -2473.904423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.904423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.904423 (E_RNA) where: Base-Base interactions energy: -1749.801 where: short stacking energy: -705.616 Base-Backbone interact. energy: -1.250 local terms energy: -722.852860 where: bonds (distance) C4'-P energy: -112.427 bonds (distance) P-C4' energy: -146.063 flat angles C4'-P-C4' energy: -145.682 flat angles P-C4'-P energy: -108.630 tors. eta vs tors. theta energy: -210.051 Dist. restrs. and SS energy: 0.000 (S_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: 61 Temperature: 1.200000 Total energy: -2463.718996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.718996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.718996 (E_RNA) where: Base-Base interactions energy: -1745.862 where: short stacking energy: -701.470 Base-Backbone interact. energy: -1.375 local terms energy: -716.481636 where: bonds (distance) C4'-P energy: -101.233 bonds (distance) P-C4' energy: -142.232 flat angles C4'-P-C4' energy: -155.610 flat angles P-C4'-P energy: -103.458 tors. eta vs tors. theta energy: -213.950 Dist. restrs. and SS energy: 0.000 (S_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: 61 Temperature: 1.250000 Total energy: -2414.640781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.640781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.640781 (E_RNA) where: Base-Base interactions energy: -1713.423 where: short stacking energy: -695.076 Base-Backbone interact. energy: -1.560 local terms energy: -699.658306 where: bonds (distance) C4'-P energy: -104.209 bonds (distance) P-C4' energy: -137.082 flat angles C4'-P-C4' energy: -150.730 flat angles P-C4'-P energy: -85.636 tors. eta vs tors. theta energy: -222.001 Dist. restrs. and SS energy: 0.000 (S_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: 61 Temperature: 1.300000 Total energy: -2148.322812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.322812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.322812 (E_RNA) where: Base-Base interactions energy: -1490.584 where: short stacking energy: -628.775 Base-Backbone interact. energy: -1.059 local terms energy: -656.679602 where: bonds (distance) C4'-P energy: -107.924 bonds (distance) P-C4' energy: -129.371 flat angles C4'-P-C4' energy: -133.630 flat angles P-C4'-P energy: -95.656 tors. eta vs tors. theta energy: -190.098 Dist. restrs. and SS energy: 0.000 (S_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: 61 Temperature: 1.350000 Total energy: -2145.764968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.764968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.764968 (E_RNA) where: Base-Base interactions energy: -1508.749 where: short stacking energy: -627.835 Base-Backbone interact. energy: -2.032 local terms energy: -634.984233 where: bonds (distance) C4'-P energy: -99.459 bonds (distance) P-C4' energy: -130.559 flat angles C4'-P-C4' energy: -143.069 flat angles P-C4'-P energy: -84.690 tors. eta vs tors. theta energy: -177.206 Dist. restrs. and SS energy: 0.000 (S_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: 62 Temperature: 0.900000 Total energy: -2707.261375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.261375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.261375 (E_RNA) where: Base-Base interactions energy: -1937.496 where: short stacking energy: -780.455 Base-Backbone interact. energy: -1.759 local terms energy: -768.006934 where: bonds (distance) C4'-P energy: -122.320 bonds (distance) P-C4' energy: -155.225 flat angles C4'-P-C4' energy: -164.133 flat angles P-C4'-P energy: -102.761 tors. eta vs tors. theta energy: -223.568 Dist. restrs. and SS energy: 0.000 (S_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: 62 Temperature: 0.950000 Total energy: -2676.249638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.249638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.249638 (E_RNA) where: Base-Base interactions energy: -1908.821 where: short stacking energy: -757.496 Base-Backbone interact. energy: -2.661 local terms energy: -764.767736 where: bonds (distance) C4'-P energy: -112.496 bonds (distance) P-C4' energy: -152.551 flat angles C4'-P-C4' energy: -162.520 flat angles P-C4'-P energy: -109.378 tors. eta vs tors. theta energy: -227.823 Dist. restrs. and SS energy: 0.000 (S_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: 62 Temperature: 1.000000 Total energy: -2635.172797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.172797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.172797 (E_RNA) where: Base-Base interactions energy: -1885.006 where: short stacking energy: -756.130 Base-Backbone interact. energy: -1.724 local terms energy: -748.442555 where: bonds (distance) C4'-P energy: -106.446 bonds (distance) P-C4' energy: -147.184 flat angles C4'-P-C4' energy: -161.551 flat angles P-C4'-P energy: -110.380 tors. eta vs tors. theta energy: -222.882 Dist. restrs. and SS energy: 0.000 (S_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: 62 Temperature: 1.050000 Total energy: -2578.939816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.939816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.939816 (E_RNA) where: Base-Base interactions energy: -1844.925 where: short stacking energy: -723.191 Base-Backbone interact. energy: -1.196 local terms energy: -732.819452 where: bonds (distance) C4'-P energy: -122.936 bonds (distance) P-C4' energy: -135.616 flat angles C4'-P-C4' energy: -146.756 flat angles P-C4'-P energy: -107.237 tors. eta vs tors. theta energy: -220.274 Dist. restrs. and SS energy: 0.000 (S_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: 62 Temperature: 1.100000 Total energy: -2571.353054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.353054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.353054 (E_RNA) where: Base-Base interactions energy: -1857.156 where: short stacking energy: -738.467 Base-Backbone interact. energy: -3.320 local terms energy: -710.877711 where: bonds (distance) C4'-P energy: -101.843 bonds (distance) P-C4' energy: -144.918 flat angles C4'-P-C4' energy: -154.426 flat angles P-C4'-P energy: -100.339 tors. eta vs tors. theta energy: -209.351 Dist. restrs. and SS energy: 0.000 (S_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: 62 Temperature: 1.150000 Total energy: -2469.913690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.913690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.913690 (E_RNA) where: Base-Base interactions energy: -1737.195 where: short stacking energy: -700.424 Base-Backbone interact. energy: -1.310 local terms energy: -731.408676 where: bonds (distance) C4'-P energy: -112.796 bonds (distance) P-C4' energy: -143.027 flat angles C4'-P-C4' energy: -159.736 flat angles P-C4'-P energy: -100.527 tors. eta vs tors. theta energy: -215.323 Dist. restrs. and SS energy: 0.000 (S_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: 62 Temperature: 1.200000 Total energy: -2442.497426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.497426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.497426 (E_RNA) where: Base-Base interactions energy: -1726.671 where: short stacking energy: -690.896 Base-Backbone interact. energy: -1.081 local terms energy: -714.745662 where: bonds (distance) C4'-P energy: -111.052 bonds (distance) P-C4' energy: -145.650 flat angles C4'-P-C4' energy: -146.468 flat angles P-C4'-P energy: -101.168 tors. eta vs tors. theta energy: -210.409 Dist. restrs. and SS energy: 0.000 (S_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: -2391.574549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.574549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.574549 (E_RNA) where: Base-Base interactions energy: -1673.148 where: short stacking energy: -675.815 Base-Backbone interact. energy: 0.119 local terms energy: -718.545683 where: bonds (distance) C4'-P energy: -105.801 bonds (distance) P-C4' energy: -150.144 flat angles C4'-P-C4' energy: -145.406 flat angles P-C4'-P energy: -111.699 tors. eta vs tors. theta energy: -205.496 Dist. restrs. and SS energy: 0.000 (S_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: -2155.934601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.934601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.934601 (E_RNA) where: Base-Base interactions energy: -1487.660 where: short stacking energy: -604.904 Base-Backbone interact. energy: -1.360 local terms energy: -666.914742 where: bonds (distance) C4'-P energy: -112.828 bonds (distance) P-C4' energy: -136.123 flat angles C4'-P-C4' energy: -145.110 flat angles P-C4'-P energy: -95.898 tors. eta vs tors. theta energy: -176.955 Dist. restrs. and SS energy: 0.000 (S_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: 62 Temperature: 1.350000 Total energy: -2109.788617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.788617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.788617 (E_RNA) where: Base-Base interactions energy: -1459.474 where: short stacking energy: -577.846 Base-Backbone interact. energy: -2.222 local terms energy: -648.092551 where: bonds (distance) C4'-P energy: -105.140 bonds (distance) P-C4' energy: -127.396 flat angles C4'-P-C4' energy: -138.521 flat angles P-C4'-P energy: -97.325 tors. eta vs tors. theta energy: -179.711 Dist. restrs. and SS energy: 0.000 (S_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: 63 Temperature: 0.900000 Total energy: -2704.020773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.020773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.020773 (E_RNA) where: Base-Base interactions energy: -1907.020 where: short stacking energy: -764.684 Base-Backbone interact. energy: -4.597 local terms energy: -792.403731 where: bonds (distance) C4'-P energy: -123.518 bonds (distance) P-C4' energy: -168.237 flat angles C4'-P-C4' energy: -159.179 flat angles P-C4'-P energy: -115.941 tors. eta vs tors. theta energy: -225.529 Dist. restrs. and SS energy: 0.000 (S_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: 63 Temperature: 0.950000 Total energy: -2671.709954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.709954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.709954 (E_RNA) where: Base-Base interactions energy: -1903.488 where: short stacking energy: -756.936 Base-Backbone interact. energy: -2.547 local terms energy: -765.675450 where: bonds (distance) C4'-P energy: -120.906 bonds (distance) P-C4' energy: -160.552 flat angles C4'-P-C4' energy: -159.485 flat angles P-C4'-P energy: -106.194 tors. eta vs tors. theta energy: -218.538 Dist. restrs. and SS energy: 0.000 (S_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: 63 Temperature: 1.000000 Total energy: -2633.326658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.326658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.326658 (E_RNA) where: Base-Base interactions energy: -1881.525 where: short stacking energy: -758.203 Base-Backbone interact. energy: -0.070 local terms energy: -751.731672 where: bonds (distance) C4'-P energy: -122.886 bonds (distance) P-C4' energy: -149.416 flat angles C4'-P-C4' energy: -154.948 flat angles P-C4'-P energy: -101.910 tors. eta vs tors. theta energy: -222.571 Dist. restrs. and SS energy: 0.000 (S_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: 63 Temperature: 1.050000 Total energy: -2601.142831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.142831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.142831 (E_RNA) where: Base-Base interactions energy: -1865.383 where: short stacking energy: -722.053 Base-Backbone interact. energy: -1.972 local terms energy: -733.787475 where: bonds (distance) C4'-P energy: -121.149 bonds (distance) P-C4' energy: -143.763 flat angles C4'-P-C4' energy: -147.411 flat angles P-C4'-P energy: -104.982 tors. eta vs tors. theta energy: -216.482 Dist. restrs. and SS energy: 0.000 (S_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: 63 Temperature: 1.100000 Total energy: -2569.027055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.027055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.027055 (E_RNA) where: Base-Base interactions energy: -1842.986 where: short stacking energy: -717.916 Base-Backbone interact. energy: 0.105 local terms energy: -726.146360 where: bonds (distance) C4'-P energy: -106.580 bonds (distance) P-C4' energy: -141.447 flat angles C4'-P-C4' energy: -150.566 flat angles P-C4'-P energy: -110.929 tors. eta vs tors. theta energy: -216.624 Dist. restrs. and SS energy: 0.000 (S_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: 63 Temperature: 1.150000 Total energy: -2472.901257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.901257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.901257 (E_RNA) where: Base-Base interactions energy: -1732.460 where: short stacking energy: -683.363 Base-Backbone interact. energy: -0.494 local terms energy: -739.947483 where: bonds (distance) C4'-P energy: -118.649 bonds (distance) P-C4' energy: -151.292 flat angles C4'-P-C4' energy: -160.345 flat angles P-C4'-P energy: -101.153 tors. eta vs tors. theta energy: -208.508 Dist. restrs. and SS energy: 0.000 (S_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: 63 Temperature: 1.200000 Total energy: -2415.852396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.852396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.852396 (E_RNA) where: Base-Base interactions energy: -1716.497 where: short stacking energy: -678.244 Base-Backbone interact. energy: -1.194 local terms energy: -698.161787 where: bonds (distance) C4'-P energy: -114.465 bonds (distance) P-C4' energy: -142.562 flat angles C4'-P-C4' energy: -140.769 flat angles P-C4'-P energy: -96.490 tors. eta vs tors. theta energy: -203.877 Dist. restrs. and SS energy: 0.000 (S_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: 63 Temperature: 1.250000 Total energy: -2370.664044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.664044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.664044 (E_RNA) where: Base-Base interactions energy: -1661.323 where: short stacking energy: -667.190 Base-Backbone interact. energy: -2.621 local terms energy: -706.720339 where: bonds (distance) C4'-P energy: -114.832 bonds (distance) P-C4' energy: -138.465 flat angles C4'-P-C4' energy: -150.085 flat angles P-C4'-P energy: -104.634 tors. eta vs tors. theta energy: -198.705 Dist. restrs. and SS energy: 0.000 (S_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: 63 Temperature: 1.300000 Total energy: -2142.069023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.069023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.069023 (E_RNA) where: Base-Base interactions energy: -1486.054 where: short stacking energy: -605.137 Base-Backbone interact. energy: 2.615 local terms energy: -658.629945 where: bonds (distance) C4'-P energy: -115.083 bonds (distance) P-C4' energy: -137.271 flat angles C4'-P-C4' energy: -148.179 flat angles P-C4'-P energy: -84.662 tors. eta vs tors. theta energy: -173.434 Dist. restrs. and SS energy: 0.000 (S_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: 63 Temperature: 1.350000 Total energy: -2194.667943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.667943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.667943 (E_RNA) where: Base-Base interactions energy: -1556.206 where: short stacking energy: -615.529 Base-Backbone interact. energy: -1.979 local terms energy: -636.483252 where: bonds (distance) C4'-P energy: -92.595 bonds (distance) P-C4' energy: -144.595 flat angles C4'-P-C4' energy: -135.878 flat angles P-C4'-P energy: -88.835 tors. eta vs tors. theta energy: -174.579 Dist. restrs. and SS energy: 0.000 (S_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: 64 Temperature: 0.900000 Total energy: -2710.724304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.724304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.724304 (E_RNA) where: Base-Base interactions energy: -1939.126 where: short stacking energy: -764.168 Base-Backbone interact. energy: -4.164 local terms energy: -767.434139 where: bonds (distance) C4'-P energy: -125.744 bonds (distance) P-C4' energy: -147.572 flat angles C4'-P-C4' energy: -156.226 flat angles P-C4'-P energy: -110.450 tors. eta vs tors. theta energy: -227.442 Dist. restrs. and SS energy: 0.000 (S_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: 64 Temperature: 0.950000 Total energy: -2679.375353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.375353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.375353 (E_RNA) where: Base-Base interactions energy: -1908.735 where: short stacking energy: -767.842 Base-Backbone interact. energy: -3.058 local terms energy: -767.582165 where: bonds (distance) C4'-P energy: -114.896 bonds (distance) P-C4' energy: -153.014 flat angles C4'-P-C4' energy: -156.425 flat angles P-C4'-P energy: -114.627 tors. eta vs tors. theta energy: -228.620 Dist. restrs. and SS energy: 0.000 (S_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: 64 Temperature: 1.000000 Total energy: -2640.439923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.439923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.439923 (E_RNA) where: Base-Base interactions energy: -1885.907 where: short stacking energy: -742.349 Base-Backbone interact. energy: -4.193 local terms energy: -750.340273 where: bonds (distance) C4'-P energy: -119.337 bonds (distance) P-C4' energy: -143.845 flat angles C4'-P-C4' energy: -154.437 flat angles P-C4'-P energy: -109.358 tors. eta vs tors. theta energy: -223.363 Dist. restrs. and SS energy: 0.000 (S_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: 64 Temperature: 1.050000 Total energy: -2625.704195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.704195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.704195 (E_RNA) where: Base-Base interactions energy: -1875.626 where: short stacking energy: -732.010 Base-Backbone interact. energy: -1.151 local terms energy: -748.927693 where: bonds (distance) C4'-P energy: -102.297 bonds (distance) P-C4' energy: -148.163 flat angles C4'-P-C4' energy: -159.177 flat angles P-C4'-P energy: -117.749 tors. eta vs tors. theta energy: -221.541 Dist. restrs. and SS energy: 0.000 (S_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: -2565.844286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.844286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.844286 (E_RNA) where: Base-Base interactions energy: -1850.402 where: short stacking energy: -734.543 Base-Backbone interact. energy: -1.478 local terms energy: -713.963971 where: bonds (distance) C4'-P energy: -107.441 bonds (distance) P-C4' energy: -155.362 flat angles C4'-P-C4' energy: -144.967 flat angles P-C4'-P energy: -104.074 tors. eta vs tors. theta energy: -202.121 Dist. restrs. and SS energy: 0.000 (S_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: 64 Temperature: 1.150000 Total energy: -2492.257573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.257573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.257573 (E_RNA) where: Base-Base interactions energy: -1759.678 where: short stacking energy: -713.868 Base-Backbone interact. energy: -2.299 local terms energy: -730.280588 where: bonds (distance) C4'-P energy: -122.913 bonds (distance) P-C4' energy: -141.516 flat angles C4'-P-C4' energy: -143.998 flat angles P-C4'-P energy: -100.334 tors. eta vs tors. theta energy: -221.519 Dist. restrs. and SS energy: 0.000 (S_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: 64 Temperature: 1.200000 Total energy: -2452.313138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.313138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.313138 (E_RNA) where: Base-Base interactions energy: -1758.995 where: short stacking energy: -709.200 Base-Backbone interact. energy: -0.883 local terms energy: -692.434572 where: bonds (distance) C4'-P energy: -102.894 bonds (distance) P-C4' energy: -138.015 flat angles C4'-P-C4' energy: -140.144 flat angles P-C4'-P energy: -94.521 tors. eta vs tors. theta energy: -216.861 Dist. restrs. and SS energy: 0.000 (S_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: 64 Temperature: 1.250000 Total energy: -2377.691051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.691051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.691051 (E_RNA) where: Base-Base interactions energy: -1695.841 where: short stacking energy: -681.506 Base-Backbone interact. energy: 1.870 local terms energy: -683.720301 where: bonds (distance) C4'-P energy: -99.147 bonds (distance) P-C4' energy: -137.983 flat angles C4'-P-C4' energy: -139.701 flat angles P-C4'-P energy: -104.389 tors. eta vs tors. theta energy: -202.501 Dist. restrs. and SS energy: 0.000 (S_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: 64 Temperature: 1.300000 Total energy: -2098.774876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.774876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.774876 (E_RNA) where: Base-Base interactions energy: -1445.652 where: short stacking energy: -594.630 Base-Backbone interact. energy: -2.401 local terms energy: -650.721439 where: bonds (distance) C4'-P energy: -99.577 bonds (distance) P-C4' energy: -134.529 flat angles C4'-P-C4' energy: -148.247 flat angles P-C4'-P energy: -94.519 tors. eta vs tors. theta energy: -173.850 Dist. restrs. and SS energy: 0.000 (S_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: 64 Temperature: 1.350000 Total energy: -2138.755577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.755577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.755577 (E_RNA) where: Base-Base interactions energy: -1503.417 where: short stacking energy: -604.936 Base-Backbone interact. energy: -0.925 local terms energy: -634.413678 where: bonds (distance) C4'-P energy: -109.569 bonds (distance) P-C4' energy: -132.724 flat angles C4'-P-C4' energy: -145.222 flat angles P-C4'-P energy: -88.139 tors. eta vs tors. theta energy: -158.760 Dist. restrs. and SS energy: 0.000 (S_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: 65 Temperature: 0.900000 Total energy: -2722.079430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.079430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.079430 (E_RNA) where: Base-Base interactions energy: -1944.960 where: short stacking energy: -756.488 Base-Backbone interact. energy: -2.687 local terms energy: -774.433410 where: bonds (distance) C4'-P energy: -122.698 bonds (distance) P-C4' energy: -157.527 flat angles C4'-P-C4' energy: -157.815 flat angles P-C4'-P energy: -112.467 tors. eta vs tors. theta energy: -223.926 Dist. restrs. and SS energy: 0.000 (S_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: 65 Temperature: 0.950000 Total energy: -2668.941518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.941518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.941518 (E_RNA) where: Base-Base interactions energy: -1899.966 where: short stacking energy: -774.773 Base-Backbone interact. energy: -0.948 local terms energy: -768.026739 where: bonds (distance) C4'-P energy: -116.921 bonds (distance) P-C4' energy: -153.396 flat angles C4'-P-C4' energy: -166.001 flat angles P-C4'-P energy: -105.727 tors. eta vs tors. theta energy: -225.981 Dist. restrs. and SS energy: 0.000 (S_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: 65 Temperature: 1.000000 Total energy: -2670.527074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.527074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.527074 (E_RNA) where: Base-Base interactions energy: -1909.241 where: short stacking energy: -762.023 Base-Backbone interact. energy: -3.680 local terms energy: -757.606573 where: bonds (distance) C4'-P energy: -114.856 bonds (distance) P-C4' energy: -150.240 flat angles C4'-P-C4' energy: -158.081 flat angles P-C4'-P energy: -102.864 tors. eta vs tors. theta energy: -231.566 Dist. restrs. and SS energy: 0.000 (S_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: 65 Temperature: 1.050000 Total energy: -2620.059586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.059586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.059586 (E_RNA) where: Base-Base interactions energy: -1896.537 where: short stacking energy: -747.770 Base-Backbone interact. energy: 0.139 local terms energy: -723.662217 where: bonds (distance) C4'-P energy: -101.062 bonds (distance) P-C4' energy: -141.689 flat angles C4'-P-C4' energy: -152.708 flat angles P-C4'-P energy: -97.121 tors. eta vs tors. theta energy: -231.082 Dist. restrs. and SS energy: 0.000 (S_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: 65 Temperature: 1.100000 Total energy: -2566.447258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.447258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.447258 (E_RNA) where: Base-Base interactions energy: -1838.114 where: short stacking energy: -729.050 Base-Backbone interact. energy: -3.595 local terms energy: -724.738880 where: bonds (distance) C4'-P energy: -109.035 bonds (distance) P-C4' energy: -138.899 flat angles C4'-P-C4' energy: -163.728 flat angles P-C4'-P energy: -92.526 tors. eta vs tors. theta energy: -220.552 Dist. restrs. and SS energy: 0.000 (S_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: 65 Temperature: 1.150000 Total energy: -2452.781267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.781267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.781267 (E_RNA) where: Base-Base interactions energy: -1741.095 where: short stacking energy: -692.090 Base-Backbone interact. energy: -0.480 local terms energy: -711.206482 where: bonds (distance) C4'-P energy: -101.285 bonds (distance) P-C4' energy: -148.437 flat angles C4'-P-C4' energy: -153.918 flat angles P-C4'-P energy: -104.104 tors. eta vs tors. theta energy: -203.463 Dist. restrs. and SS energy: 0.000 (S_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: 65 Temperature: 1.200000 Total energy: -2465.355525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.355525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.355525 (E_RNA) where: Base-Base interactions energy: -1763.393 where: short stacking energy: -713.267 Base-Backbone interact. energy: -1.941 local terms energy: -700.021172 where: bonds (distance) C4'-P energy: -97.983 bonds (distance) P-C4' energy: -145.561 flat angles C4'-P-C4' energy: -143.515 flat angles P-C4'-P energy: -104.057 tors. eta vs tors. theta energy: -208.906 Dist. restrs. and SS energy: 0.000 (S_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: -2446.100412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.100412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.100412 (E_RNA) where: Base-Base interactions energy: -1758.406 where: short stacking energy: -699.331 Base-Backbone interact. energy: -2.154 local terms energy: -685.540567 where: bonds (distance) C4'-P energy: -98.914 bonds (distance) P-C4' energy: -130.382 flat angles C4'-P-C4' energy: -143.427 flat angles P-C4'-P energy: -102.927 tors. eta vs tors. theta energy: -209.890 Dist. restrs. and SS energy: 0.000 (S_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: 65 Temperature: 1.300000 Total energy: -2125.123600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.123600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.123600 (E_RNA) where: Base-Base interactions energy: -1471.204 where: short stacking energy: -608.518 Base-Backbone interact. energy: -1.155 local terms energy: -652.765287 where: bonds (distance) C4'-P energy: -97.225 bonds (distance) P-C4' energy: -138.377 flat angles C4'-P-C4' energy: -142.637 flat angles P-C4'-P energy: -97.511 tors. eta vs tors. theta energy: -177.016 Dist. restrs. and SS energy: 0.000 (S_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: 65 Temperature: 1.350000 Total energy: -2158.577489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.577489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.577489 (E_RNA) where: Base-Base interactions energy: -1522.083 where: short stacking energy: -629.796 Base-Backbone interact. energy: -2.508 local terms energy: -633.986839 where: bonds (distance) C4'-P energy: -108.746 bonds (distance) P-C4' energy: -122.713 flat angles C4'-P-C4' energy: -131.427 flat angles P-C4'-P energy: -96.639 tors. eta vs tors. theta energy: -174.462 Dist. restrs. and SS energy: 0.000 (S_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: 66 Temperature: 0.900000 Total energy: -2689.329829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.329829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.329829 (E_RNA) where: Base-Base interactions energy: -1903.903 where: short stacking energy: -762.267 Base-Backbone interact. energy: -1.542 local terms energy: -783.885816 where: bonds (distance) C4'-P energy: -122.073 bonds (distance) P-C4' energy: -153.179 flat angles C4'-P-C4' energy: -163.031 flat angles P-C4'-P energy: -121.458 tors. eta vs tors. theta energy: -224.145 Dist. restrs. and SS energy: 0.000 (S_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: 66 Temperature: 0.950000 Total energy: -2674.500233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.500233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.500233 (E_RNA) where: Base-Base interactions energy: -1891.283 where: short stacking energy: -732.664 Base-Backbone interact. energy: -1.879 local terms energy: -781.338713 where: bonds (distance) C4'-P energy: -130.943 bonds (distance) P-C4' energy: -156.997 flat angles C4'-P-C4' energy: -161.911 flat angles P-C4'-P energy: -112.122 tors. eta vs tors. theta energy: -219.366 Dist. restrs. and SS energy: 0.000 (S_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: 66 Temperature: 1.000000 Total energy: -2650.826688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.826688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.826688 (E_RNA) where: Base-Base interactions energy: -1902.000 where: short stacking energy: -736.996 Base-Backbone interact. energy: 0.087 local terms energy: -748.913936 where: bonds (distance) C4'-P energy: -127.562 bonds (distance) P-C4' energy: -142.844 flat angles C4'-P-C4' energy: -154.050 flat angles P-C4'-P energy: -102.874 tors. eta vs tors. theta energy: -221.584 Dist. restrs. and SS energy: 0.000 (S_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: -2626.019161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.019161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.019161 (E_RNA) where: Base-Base interactions energy: -1867.962 where: short stacking energy: -738.617 Base-Backbone interact. energy: -1.729 local terms energy: -756.328144 where: bonds (distance) C4'-P energy: -115.080 bonds (distance) P-C4' energy: -151.938 flat angles C4'-P-C4' energy: -155.406 flat angles P-C4'-P energy: -110.141 tors. eta vs tors. theta energy: -223.763 Dist. restrs. and SS energy: 0.000 (S_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: 66 Temperature: 1.100000 Total energy: -2590.346821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.346821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.346821 (E_RNA) where: Base-Base interactions energy: -1845.577 where: short stacking energy: -727.620 Base-Backbone interact. energy: -0.283 local terms energy: -744.486988 where: bonds (distance) C4'-P energy: -109.547 bonds (distance) P-C4' energy: -154.939 flat angles C4'-P-C4' energy: -155.659 flat angles P-C4'-P energy: -103.970 tors. eta vs tors. theta energy: -220.372 Dist. restrs. and SS energy: 0.000 (S_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: 66 Temperature: 1.150000 Total energy: -2477.600335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.600335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.600335 (E_RNA) where: Base-Base interactions energy: -1752.998 where: short stacking energy: -702.800 Base-Backbone interact. energy: -1.879 local terms energy: -722.723436 where: bonds (distance) C4'-P energy: -112.534 bonds (distance) P-C4' energy: -140.993 flat angles C4'-P-C4' energy: -153.847 flat angles P-C4'-P energy: -106.494 tors. eta vs tors. theta energy: -208.856 Dist. restrs. and SS energy: 0.000 (S_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: -2471.539505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.539505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.539505 (E_RNA) where: Base-Base interactions energy: -1744.542 where: short stacking energy: -719.524 Base-Backbone interact. energy: -1.559 local terms energy: -725.438395 where: bonds (distance) C4'-P energy: -109.130 bonds (distance) P-C4' energy: -147.513 flat angles C4'-P-C4' energy: -144.790 flat angles P-C4'-P energy: -105.397 tors. eta vs tors. theta energy: -218.608 Dist. restrs. and SS energy: 0.000 (S_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: 66 Temperature: 1.250000 Total energy: -2404.520677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.520677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.520677 (E_RNA) where: Base-Base interactions energy: -1712.404 where: short stacking energy: -693.536 Base-Backbone interact. energy: -1.348 local terms energy: -690.768573 where: bonds (distance) C4'-P energy: -94.256 bonds (distance) P-C4' energy: -146.668 flat angles C4'-P-C4' energy: -148.468 flat angles P-C4'-P energy: -96.298 tors. eta vs tors. theta energy: -205.078 Dist. restrs. and SS energy: 0.000 (S_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: 66 Temperature: 1.300000 Total energy: -2187.025455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.025455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.025455 (E_RNA) where: Base-Base interactions energy: -1556.964 where: short stacking energy: -627.936 Base-Backbone interact. energy: -0.532 local terms energy: -629.529138 where: bonds (distance) C4'-P energy: -100.053 bonds (distance) P-C4' energy: -120.019 flat angles C4'-P-C4' energy: -135.576 flat angles P-C4'-P energy: -93.267 tors. eta vs tors. theta energy: -180.614 Dist. restrs. and SS energy: 0.000 (S_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: 66 Temperature: 1.350000 Total energy: -2099.799431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.799431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.799431 (E_RNA) where: Base-Base interactions energy: -1452.592 where: short stacking energy: -582.657 Base-Backbone interact. energy: -2.085 local terms energy: -645.122198 where: bonds (distance) C4'-P energy: -102.142 bonds (distance) P-C4' energy: -144.801 flat angles C4'-P-C4' energy: -137.543 flat angles P-C4'-P energy: -92.213 tors. eta vs tors. theta energy: -168.423 Dist. restrs. and SS energy: 0.000 (S_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: 67 Temperature: 0.900000 Total energy: -2697.855880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.855880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.855880 (E_RNA) where: Base-Base interactions energy: -1927.775 where: short stacking energy: -754.207 Base-Backbone interact. energy: -3.141 local terms energy: -766.939749 where: bonds (distance) C4'-P energy: -118.917 bonds (distance) P-C4' energy: -157.387 flat angles C4'-P-C4' energy: -163.307 flat angles P-C4'-P energy: -103.444 tors. eta vs tors. theta energy: -223.885 Dist. restrs. and SS energy: 0.000 (S_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: 67 Temperature: 0.950000 Total energy: -2695.765868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.765868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.765868 (E_RNA) where: Base-Base interactions energy: -1912.621 where: short stacking energy: -773.292 Base-Backbone interact. energy: -3.307 local terms energy: -779.838200 where: bonds (distance) C4'-P energy: -122.918 bonds (distance) P-C4' energy: -155.966 flat angles C4'-P-C4' energy: -165.871 flat angles P-C4'-P energy: -109.066 tors. eta vs tors. theta energy: -226.017 Dist. restrs. and SS energy: 0.000 (S_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: 67 Temperature: 1.000000 Total energy: -2644.827417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.827417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.827417 (E_RNA) where: Base-Base interactions energy: -1894.358 where: short stacking energy: -742.967 Base-Backbone interact. energy: -0.377 local terms energy: -750.092429 where: bonds (distance) C4'-P energy: -107.845 bonds (distance) P-C4' energy: -150.508 flat angles C4'-P-C4' energy: -163.668 flat angles P-C4'-P energy: -105.243 tors. eta vs tors. theta energy: -222.828 Dist. restrs. and SS energy: 0.000 (S_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: 67 Temperature: 1.050000 Total energy: -2630.083307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.083307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.083307 (E_RNA) where: Base-Base interactions energy: -1882.127 where: short stacking energy: -740.814 Base-Backbone interact. energy: -3.380 local terms energy: -744.576803 where: bonds (distance) C4'-P energy: -110.438 bonds (distance) P-C4' energy: -150.569 flat angles C4'-P-C4' energy: -153.744 flat angles P-C4'-P energy: -107.259 tors. eta vs tors. theta energy: -222.566 Dist. restrs. and SS energy: 0.000 (S_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: 67 Temperature: 1.100000 Total energy: -2575.921104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.921104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.921104 (E_RNA) where: Base-Base interactions energy: -1821.779 where: short stacking energy: -733.751 Base-Backbone interact. energy: -5.367 local terms energy: -748.774644 where: bonds (distance) C4'-P energy: -101.742 bonds (distance) P-C4' energy: -159.235 flat angles C4'-P-C4' energy: -151.587 flat angles P-C4'-P energy: -108.427 tors. eta vs tors. theta energy: -227.784 Dist. restrs. and SS energy: 0.000 (S_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: -2453.015052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.015052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.015052 (E_RNA) where: Base-Base interactions energy: -1732.310 where: short stacking energy: -693.161 Base-Backbone interact. energy: -3.165 local terms energy: -717.540079 where: bonds (distance) C4'-P energy: -118.262 bonds (distance) P-C4' energy: -137.381 flat angles C4'-P-C4' energy: -146.294 flat angles P-C4'-P energy: -106.775 tors. eta vs tors. theta energy: -208.828 Dist. restrs. and SS energy: 0.000 (S_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: 67 Temperature: 1.200000 Total energy: -2438.794976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.794976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.794976 (E_RNA) where: Base-Base interactions energy: -1734.599 where: short stacking energy: -698.560 Base-Backbone interact. energy: -1.532 local terms energy: -702.664738 where: bonds (distance) C4'-P energy: -109.673 bonds (distance) P-C4' energy: -133.853 flat angles C4'-P-C4' energy: -144.537 flat angles P-C4'-P energy: -101.317 tors. eta vs tors. theta energy: -213.285 Dist. restrs. and SS energy: 0.000 (S_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: -2452.758918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.758918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.758918 (E_RNA) where: Base-Base interactions energy: -1724.482 where: short stacking energy: -686.056 Base-Backbone interact. energy: -0.009 local terms energy: -728.268513 where: bonds (distance) C4'-P energy: -115.308 bonds (distance) P-C4' energy: -141.657 flat angles C4'-P-C4' energy: -155.633 flat angles P-C4'-P energy: -103.509 tors. eta vs tors. theta energy: -212.161 Dist. restrs. and SS energy: 0.000 (S_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: 67 Temperature: 1.300000 Total energy: -2200.131657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.131657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.131657 (E_RNA) where: Base-Base interactions energy: -1534.016 where: short stacking energy: -624.985 Base-Backbone interact. energy: -0.618 local terms energy: -665.498190 where: bonds (distance) C4'-P energy: -101.509 bonds (distance) P-C4' energy: -137.256 flat angles C4'-P-C4' energy: -148.368 flat angles P-C4'-P energy: -95.704 tors. eta vs tors. theta energy: -182.661 Dist. restrs. and SS energy: 0.000 (S_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: 67 Temperature: 1.350000 Total energy: -2061.101854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.101854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.101854 (E_RNA) where: Base-Base interactions energy: -1430.146 where: short stacking energy: -596.375 Base-Backbone interact. energy: -0.055 local terms energy: -630.900511 where: bonds (distance) C4'-P energy: -94.064 bonds (distance) P-C4' energy: -129.352 flat angles C4'-P-C4' energy: -136.396 flat angles P-C4'-P energy: -96.222 tors. eta vs tors. theta energy: -174.866 Dist. restrs. and SS energy: 0.000 (S_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: 68 Temperature: 0.900000 Total energy: -2723.318976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.318976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.318976 (E_RNA) where: Base-Base interactions energy: -1945.834 where: short stacking energy: -774.321 Base-Backbone interact. energy: -1.682 local terms energy: -775.802517 where: bonds (distance) C4'-P energy: -115.386 bonds (distance) P-C4' energy: -152.959 flat angles C4'-P-C4' energy: -158.738 flat angles P-C4'-P energy: -120.562 tors. eta vs tors. theta energy: -228.158 Dist. restrs. and SS energy: 0.000 (S_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: 68 Temperature: 0.950000 Total energy: -2658.520725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.520725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.520725 (E_RNA) where: Base-Base interactions energy: -1886.412 where: short stacking energy: -764.669 Base-Backbone interact. energy: -1.230 local terms energy: -770.879225 where: bonds (distance) C4'-P energy: -111.454 bonds (distance) P-C4' energy: -152.469 flat angles C4'-P-C4' energy: -163.789 flat angles P-C4'-P energy: -113.444 tors. eta vs tors. theta energy: -229.724 Dist. restrs. and SS energy: 0.000 (S_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: 68 Temperature: 1.000000 Total energy: -2670.792819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.792819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.792819 (E_RNA) where: Base-Base interactions energy: -1901.689 where: short stacking energy: -755.881 Base-Backbone interact. energy: -2.093 local terms energy: -767.010725 where: bonds (distance) C4'-P energy: -108.883 bonds (distance) P-C4' energy: -157.072 flat angles C4'-P-C4' energy: -166.569 flat angles P-C4'-P energy: -108.047 tors. eta vs tors. theta energy: -226.441 Dist. restrs. and SS energy: 0.000 (S_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: 68 Temperature: 1.050000 Total energy: -2606.663979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.663979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.663979 (E_RNA) where: Base-Base interactions energy: -1866.067 where: short stacking energy: -744.107 Base-Backbone interact. energy: -1.282 local terms energy: -739.314648 where: bonds (distance) C4'-P energy: -106.707 bonds (distance) P-C4' energy: -151.970 flat angles C4'-P-C4' energy: -155.357 flat angles P-C4'-P energy: -110.793 tors. eta vs tors. theta energy: -214.488 Dist. restrs. and SS energy: 0.000 (S_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: 68 Temperature: 1.100000 Total energy: -2572.610103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.610103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.610103 (E_RNA) where: Base-Base interactions energy: -1840.633 where: short stacking energy: -729.378 Base-Backbone interact. energy: -1.362 local terms energy: -730.614815 where: bonds (distance) C4'-P energy: -119.999 bonds (distance) P-C4' energy: -135.844 flat angles C4'-P-C4' energy: -155.456 flat angles P-C4'-P energy: -97.880 tors. eta vs tors. theta energy: -221.436 Dist. restrs. and SS energy: 0.000 (S_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: 68 Temperature: 1.150000 Total energy: -2488.663960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.663960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.663960 (E_RNA) where: Base-Base interactions energy: -1753.235 where: short stacking energy: -693.768 Base-Backbone interact. energy: -0.072 local terms energy: -735.357551 where: bonds (distance) C4'-P energy: -114.855 bonds (distance) P-C4' energy: -154.421 flat angles C4'-P-C4' energy: -149.822 flat angles P-C4'-P energy: -106.423 tors. eta vs tors. theta energy: -209.837 Dist. restrs. and SS energy: 0.000 (S_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: -2387.895561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.895561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.895561 (E_RNA) where: Base-Base interactions energy: -1692.463 where: short stacking energy: -692.982 Base-Backbone interact. energy: 0.801 local terms energy: -696.233156 where: bonds (distance) C4'-P energy: -111.280 bonds (distance) P-C4' energy: -126.463 flat angles C4'-P-C4' energy: -150.771 flat angles P-C4'-P energy: -99.256 tors. eta vs tors. theta energy: -208.463 Dist. restrs. and SS energy: 0.000 (S_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: 68 Temperature: 1.250000 Total energy: -2438.014036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.014036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.014036 (E_RNA) where: Base-Base interactions energy: -1734.109 where: short stacking energy: -705.309 Base-Backbone interact. energy: -0.825 local terms energy: -703.080126 where: bonds (distance) C4'-P energy: -111.315 bonds (distance) P-C4' energy: -140.997 flat angles C4'-P-C4' energy: -142.504 flat angles P-C4'-P energy: -96.970 tors. eta vs tors. theta energy: -211.294 Dist. restrs. and SS energy: 0.000 (S_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: -2205.997385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.997385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.997385 (E_RNA) where: Base-Base interactions energy: -1532.105 where: short stacking energy: -633.764 Base-Backbone interact. energy: -1.946 local terms energy: -671.945584 where: bonds (distance) C4'-P energy: -111.199 bonds (distance) P-C4' energy: -130.107 flat angles C4'-P-C4' energy: -140.384 flat angles P-C4'-P energy: -104.041 tors. eta vs tors. theta energy: -186.215 Dist. restrs. and SS energy: 0.000 (S_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: 68 Temperature: 1.350000 Total energy: -2075.854835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.854835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.854835 (E_RNA) where: Base-Base interactions energy: -1455.136 where: short stacking energy: -600.337 Base-Backbone interact. energy: -0.897 local terms energy: -619.821821 where: bonds (distance) C4'-P energy: -99.986 bonds (distance) P-C4' energy: -138.342 flat angles C4'-P-C4' energy: -134.896 flat angles P-C4'-P energy: -74.905 tors. eta vs tors. theta energy: -171.692 Dist. restrs. and SS energy: 0.000 (S_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: 69 Temperature: 0.900000 Total energy: -2708.936758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.936758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.936758 (E_RNA) where: Base-Base interactions energy: -1937.785 where: short stacking energy: -771.410 Base-Backbone interact. energy: -3.869 local terms energy: -767.282939 where: bonds (distance) C4'-P energy: -116.297 bonds (distance) P-C4' energy: -156.610 flat angles C4'-P-C4' energy: -149.623 flat angles P-C4'-P energy: -117.461 tors. eta vs tors. theta energy: -227.292 Dist. restrs. and SS energy: 0.000 (S_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: 69 Temperature: 0.950000 Total energy: -2698.671098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.671098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.671098 (E_RNA) where: Base-Base interactions energy: -1928.189 where: short stacking energy: -770.627 Base-Backbone interact. energy: -4.159 local terms energy: -766.323699 where: bonds (distance) C4'-P energy: -120.884 bonds (distance) P-C4' energy: -136.354 flat angles C4'-P-C4' energy: -160.872 flat angles P-C4'-P energy: -117.607 tors. eta vs tors. theta energy: -230.607 Dist. restrs. and SS energy: 0.000 (S_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: 69 Temperature: 1.000000 Total energy: -2625.443667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.443667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.443667 (E_RNA) where: Base-Base interactions energy: -1852.715 where: short stacking energy: -738.712 Base-Backbone interact. energy: -1.211 local terms energy: -771.518383 where: bonds (distance) C4'-P energy: -127.435 bonds (distance) P-C4' energy: -155.795 flat angles C4'-P-C4' energy: -159.861 flat angles P-C4'-P energy: -108.188 tors. eta vs tors. theta energy: -220.240 Dist. restrs. and SS energy: 0.000 (S_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: 69 Temperature: 1.050000 Total energy: -2603.142006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.142006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.142006 (E_RNA) where: Base-Base interactions energy: -1856.955 where: short stacking energy: -727.331 Base-Backbone interact. energy: -3.330 local terms energy: -742.857406 where: bonds (distance) C4'-P energy: -128.258 bonds (distance) P-C4' energy: -138.770 flat angles C4'-P-C4' energy: -152.984 flat angles P-C4'-P energy: -101.615 tors. eta vs tors. theta energy: -221.230 Dist. restrs. and SS energy: 0.000 (S_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: 69 Temperature: 1.100000 Total energy: -2566.246319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.246319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.246319 (E_RNA) where: Base-Base interactions energy: -1833.771 where: short stacking energy: -716.130 Base-Backbone interact. energy: 0.466 local terms energy: -732.941217 where: bonds (distance) C4'-P energy: -114.648 bonds (distance) P-C4' energy: -153.262 flat angles C4'-P-C4' energy: -158.486 flat angles P-C4'-P energy: -97.499 tors. eta vs tors. theta energy: -209.047 Dist. restrs. and SS energy: 0.000 (S_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: 69 Temperature: 1.150000 Total energy: -2487.337004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.337004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.337004 (E_RNA) where: Base-Base interactions energy: -1778.489 where: short stacking energy: -711.985 Base-Backbone interact. energy: 1.082 local terms energy: -709.930061 where: bonds (distance) C4'-P energy: -103.149 bonds (distance) P-C4' energy: -137.713 flat angles C4'-P-C4' energy: -141.630 flat angles P-C4'-P energy: -111.168 tors. eta vs tors. theta energy: -216.270 Dist. restrs. and SS energy: 0.000 (S_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: 69 Temperature: 1.200000 Total energy: -2392.772743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.772743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.772743 (E_RNA) where: Base-Base interactions energy: -1675.778 where: short stacking energy: -686.000 Base-Backbone interact. energy: -1.026 local terms energy: -715.968644 where: bonds (distance) C4'-P energy: -107.263 bonds (distance) P-C4' energy: -151.893 flat angles C4'-P-C4' energy: -151.589 flat angles P-C4'-P energy: -100.675 tors. eta vs tors. theta energy: -204.548 Dist. restrs. and SS energy: 0.000 (S_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: 69 Temperature: 1.250000 Total energy: -2397.788328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.788328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.788328 (E_RNA) where: Base-Base interactions energy: -1718.038 where: short stacking energy: -689.498 Base-Backbone interact. energy: -3.604 local terms energy: -676.146084 where: bonds (distance) C4'-P energy: -99.594 bonds (distance) P-C4' energy: -136.442 flat angles C4'-P-C4' energy: -136.474 flat angles P-C4'-P energy: -100.366 tors. eta vs tors. theta energy: -203.269 Dist. restrs. and SS energy: 0.000 (S_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: 69 Temperature: 1.300000 Total energy: -2204.195158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.195158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.195158 (E_RNA) where: Base-Base interactions energy: -1530.391 where: short stacking energy: -630.003 Base-Backbone interact. energy: -1.551 local terms energy: -672.253220 where: bonds (distance) C4'-P energy: -100.426 bonds (distance) P-C4' energy: -139.513 flat angles C4'-P-C4' energy: -150.940 flat angles P-C4'-P energy: -91.174 tors. eta vs tors. theta energy: -190.200 Dist. restrs. and SS energy: 0.000 (S_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: 69 Temperature: 1.350000 Total energy: -2083.468342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.468342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.468342 (E_RNA) where: Base-Base interactions energy: -1425.441 where: short stacking energy: -588.540 Base-Backbone interact. energy: 0.346 local terms energy: -658.373492 where: bonds (distance) C4'-P energy: -110.233 bonds (distance) P-C4' energy: -141.814 flat angles C4'-P-C4' energy: -144.388 flat angles P-C4'-P energy: -97.379 tors. eta vs tors. theta energy: -164.559 Dist. restrs. and SS energy: 0.000 (S_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: 70 Temperature: 0.900000 Total energy: -2710.704074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.704074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.704074 (E_RNA) where: Base-Base interactions energy: -1925.885 where: short stacking energy: -768.241 Base-Backbone interact. energy: -2.868 local terms energy: -781.951158 where: bonds (distance) C4'-P energy: -126.781 bonds (distance) P-C4' energy: -150.101 flat angles C4'-P-C4' energy: -161.383 flat angles P-C4'-P energy: -116.717 tors. eta vs tors. theta energy: -226.969 Dist. restrs. and SS energy: 0.000 (S_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: 70 Temperature: 0.950000 Total energy: -2716.804857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.804857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.804857 (E_RNA) where: Base-Base interactions energy: -1941.294 where: short stacking energy: -755.325 Base-Backbone interact. energy: -3.147 local terms energy: -772.364014 where: bonds (distance) C4'-P energy: -127.815 bonds (distance) P-C4' energy: -148.209 flat angles C4'-P-C4' energy: -159.171 flat angles P-C4'-P energy: -107.297 tors. eta vs tors. theta energy: -229.872 Dist. restrs. and SS energy: 0.000 (S_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: 70 Temperature: 1.000000 Total energy: -2633.831745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.831745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.831745 (E_RNA) where: Base-Base interactions energy: -1883.745 where: short stacking energy: -744.986 Base-Backbone interact. energy: 0.540 local terms energy: -750.627007 where: bonds (distance) C4'-P energy: -119.876 bonds (distance) P-C4' energy: -146.370 flat angles C4'-P-C4' energy: -162.721 flat angles P-C4'-P energy: -102.435 tors. eta vs tors. theta energy: -219.224 Dist. restrs. and SS energy: 0.000 (S_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: -2616.117732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.117732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.117732 (E_RNA) where: Base-Base interactions energy: -1873.871 where: short stacking energy: -740.208 Base-Backbone interact. energy: 5.949 local terms energy: -748.196041 where: bonds (distance) C4'-P energy: -112.307 bonds (distance) P-C4' energy: -153.857 flat angles C4'-P-C4' energy: -158.114 flat angles P-C4'-P energy: -107.376 tors. eta vs tors. theta energy: -216.542 Dist. restrs. and SS energy: 0.000 (S_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: 70 Temperature: 1.100000 Total energy: -2555.762405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.762405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.762405 (E_RNA) where: Base-Base interactions energy: -1841.671 where: short stacking energy: -727.584 Base-Backbone interact. energy: 0.906 local terms energy: -714.997704 where: bonds (distance) C4'-P energy: -115.026 bonds (distance) P-C4' energy: -143.793 flat angles C4'-P-C4' energy: -147.024 flat angles P-C4'-P energy: -90.447 tors. eta vs tors. theta energy: -218.708 Dist. restrs. and SS energy: 0.000 (S_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: 70 Temperature: 1.150000 Total energy: -2488.571504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.571504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.571504 (E_RNA) where: Base-Base interactions energy: -1756.165 where: short stacking energy: -705.898 Base-Backbone interact. energy: -3.761 local terms energy: -728.645621 where: bonds (distance) C4'-P energy: -104.852 bonds (distance) P-C4' energy: -139.642 flat angles C4'-P-C4' energy: -159.979 flat angles P-C4'-P energy: -111.090 tors. eta vs tors. theta energy: -213.083 Dist. restrs. and SS energy: 0.000 (S_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: 70 Temperature: 1.200000 Total energy: -2424.204498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.204498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.204498 (E_RNA) where: Base-Base interactions energy: -1725.167 where: short stacking energy: -686.371 Base-Backbone interact. energy: -4.360 local terms energy: -694.678130 where: bonds (distance) C4'-P energy: -114.716 bonds (distance) P-C4' energy: -141.032 flat angles C4'-P-C4' energy: -150.434 flat angles P-C4'-P energy: -92.126 tors. eta vs tors. theta energy: -196.370 Dist. restrs. and SS energy: 0.000 (S_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: 70 Temperature: 1.250000 Total energy: -2389.159982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.159982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.159982 (E_RNA) where: Base-Base interactions energy: -1695.491 where: short stacking energy: -679.830 Base-Backbone interact. energy: -2.463 local terms energy: -691.206825 where: bonds (distance) C4'-P energy: -106.419 bonds (distance) P-C4' energy: -145.105 flat angles C4'-P-C4' energy: -141.978 flat angles P-C4'-P energy: -93.733 tors. eta vs tors. theta energy: -203.971 Dist. restrs. and SS energy: 0.000 (S_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: 70 Temperature: 1.300000 Total energy: -2212.839473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.839473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.839473 (E_RNA) where: Base-Base interactions energy: -1546.386 where: short stacking energy: -618.558 Base-Backbone interact. energy: -1.826 local terms energy: -664.627758 where: bonds (distance) C4'-P energy: -106.379 bonds (distance) P-C4' energy: -138.666 flat angles C4'-P-C4' energy: -142.919 flat angles P-C4'-P energy: -92.872 tors. eta vs tors. theta energy: -183.791 Dist. restrs. and SS energy: 0.000 (S_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: 70 Temperature: 1.350000 Total energy: -2049.625522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.625522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.625522 (E_RNA) where: Base-Base interactions energy: -1450.701 where: short stacking energy: -589.842 Base-Backbone interact. energy: -1.573 local terms energy: -597.351319 where: bonds (distance) C4'-P energy: -107.584 bonds (distance) P-C4' energy: -117.377 flat angles C4'-P-C4' energy: -129.673 flat angles P-C4'-P energy: -83.214 tors. eta vs tors. theta energy: -159.503 Dist. restrs. and SS energy: 0.000 (S_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: 71 Temperature: 0.900000 Total energy: -2716.860289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.860289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.860289 (E_RNA) where: Base-Base interactions energy: -1946.215 where: short stacking energy: -769.054 Base-Backbone interact. energy: -1.752 local terms energy: -768.893839 where: bonds (distance) C4'-P energy: -114.430 bonds (distance) P-C4' energy: -149.011 flat angles C4'-P-C4' energy: -166.269 flat angles P-C4'-P energy: -113.219 tors. eta vs tors. theta energy: -225.964 Dist. restrs. and SS energy: 0.000 (S_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: 71 Temperature: 0.950000 Total energy: -2697.669119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.669119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.669119 (E_RNA) where: Base-Base interactions energy: -1929.299 where: short stacking energy: -769.441 Base-Backbone interact. energy: -3.558 local terms energy: -764.812915 where: bonds (distance) C4'-P energy: -115.191 bonds (distance) P-C4' energy: -145.338 flat angles C4'-P-C4' energy: -164.921 flat angles P-C4'-P energy: -114.166 tors. eta vs tors. theta energy: -225.197 Dist. restrs. and SS energy: 0.000 (S_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: 71 Temperature: 1.000000 Total energy: -2594.344562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.344562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.344562 (E_RNA) where: Base-Base interactions energy: -1833.798 where: short stacking energy: -720.067 Base-Backbone interact. energy: -1.612 local terms energy: -758.934083 where: bonds (distance) C4'-P energy: -127.201 bonds (distance) P-C4' energy: -146.447 flat angles C4'-P-C4' energy: -162.277 flat angles P-C4'-P energy: -104.788 tors. eta vs tors. theta energy: -218.222 Dist. restrs. and SS energy: 0.000 (S_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: 71 Temperature: 1.050000 Total energy: -2604.230545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.230545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.230545 (E_RNA) where: Base-Base interactions energy: -1833.622 where: short stacking energy: -746.917 Base-Backbone interact. energy: -1.242 local terms energy: -769.365879 where: bonds (distance) C4'-P energy: -126.465 bonds (distance) P-C4' energy: -150.170 flat angles C4'-P-C4' energy: -155.846 flat angles P-C4'-P energy: -111.539 tors. eta vs tors. theta energy: -225.346 Dist. restrs. and SS energy: 0.000 (S_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: -2616.177119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.177119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.177119 (E_RNA) where: Base-Base interactions energy: -1862.225 where: short stacking energy: -729.767 Base-Backbone interact. energy: -1.435 local terms energy: -752.517018 where: bonds (distance) C4'-P energy: -116.481 bonds (distance) P-C4' energy: -147.507 flat angles C4'-P-C4' energy: -159.827 flat angles P-C4'-P energy: -107.540 tors. eta vs tors. theta energy: -221.162 Dist. restrs. and SS energy: 0.000 (S_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: 71 Temperature: 1.150000 Total energy: -2449.333106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.333106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.333106 (E_RNA) where: Base-Base interactions energy: -1719.080 where: short stacking energy: -685.085 Base-Backbone interact. energy: -1.394 local terms energy: -728.859046 where: bonds (distance) C4'-P energy: -118.835 bonds (distance) P-C4' energy: -144.834 flat angles C4'-P-C4' energy: -154.492 flat angles P-C4'-P energy: -104.217 tors. eta vs tors. theta energy: -206.480 Dist. restrs. and SS energy: 0.000 (S_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: 71 Temperature: 1.200000 Total energy: -2468.974711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.974711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.974711 (E_RNA) where: Base-Base interactions energy: -1757.176 where: short stacking energy: -700.001 Base-Backbone interact. energy: -1.103 local terms energy: -710.695632 where: bonds (distance) C4'-P energy: -117.162 bonds (distance) P-C4' energy: -143.544 flat angles C4'-P-C4' energy: -141.869 flat angles P-C4'-P energy: -101.873 tors. eta vs tors. theta energy: -206.248 Dist. restrs. and SS energy: 0.000 (S_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: 71 Temperature: 1.250000 Total energy: -2394.745365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.745365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.745365 (E_RNA) where: Base-Base interactions energy: -1695.872 where: short stacking energy: -697.134 Base-Backbone interact. energy: -0.802 local terms energy: -698.071140 where: bonds (distance) C4'-P energy: -97.763 bonds (distance) P-C4' energy: -139.819 flat angles C4'-P-C4' energy: -153.750 flat angles P-C4'-P energy: -95.041 tors. eta vs tors. theta energy: -211.699 Dist. restrs. and SS energy: 0.000 (S_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: 71 Temperature: 1.300000 Total energy: -2229.722424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.722424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.722424 (E_RNA) where: Base-Base interactions energy: -1557.652 where: short stacking energy: -628.636 Base-Backbone interact. energy: -0.048 local terms energy: -672.022499 where: bonds (distance) C4'-P energy: -103.796 bonds (distance) P-C4' energy: -140.658 flat angles C4'-P-C4' energy: -143.847 flat angles P-C4'-P energy: -106.172 tors. eta vs tors. theta energy: -177.550 Dist. restrs. and SS energy: 0.000 (S_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: 71 Temperature: 1.350000 Total energy: -2137.221321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.221321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.221321 (E_RNA) where: Base-Base interactions energy: -1494.931 where: short stacking energy: -612.294 Base-Backbone interact. energy: -2.389 local terms energy: -639.900725 where: bonds (distance) C4'-P energy: -106.322 bonds (distance) P-C4' energy: -127.529 flat angles C4'-P-C4' energy: -147.004 flat angles P-C4'-P energy: -80.838 tors. eta vs tors. theta energy: -178.209 Dist. restrs. and SS energy: 0.000 (S_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: 72 Temperature: 0.900000 Total energy: -2715.145353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.145353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.145353 (E_RNA) where: Base-Base interactions energy: -1934.729 where: short stacking energy: -774.715 Base-Backbone interact. energy: -1.908 local terms energy: -778.508207 where: bonds (distance) C4'-P energy: -128.621 bonds (distance) P-C4' energy: -158.224 flat angles C4'-P-C4' energy: -153.805 flat angles P-C4'-P energy: -106.922 tors. eta vs tors. theta energy: -230.936 Dist. restrs. and SS energy: 0.000 (S_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: 72 Temperature: 0.950000 Total energy: -2682.213619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.213619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.213619 (E_RNA) where: Base-Base interactions energy: -1916.473 where: short stacking energy: -753.332 Base-Backbone interact. energy: -2.574 local terms energy: -763.166518 where: bonds (distance) C4'-P energy: -118.579 bonds (distance) P-C4' energy: -146.244 flat angles C4'-P-C4' energy: -165.794 flat angles P-C4'-P energy: -105.599 tors. eta vs tors. theta energy: -226.951 Dist. restrs. and SS energy: 0.000 (S_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: 72 Temperature: 1.000000 Total energy: -2623.283397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.283397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.283397 (E_RNA) where: Base-Base interactions energy: -1862.384 where: short stacking energy: -744.162 Base-Backbone interact. energy: -1.185 local terms energy: -759.713806 where: bonds (distance) C4'-P energy: -109.523 bonds (distance) P-C4' energy: -156.330 flat angles C4'-P-C4' energy: -160.078 flat angles P-C4'-P energy: -111.755 tors. eta vs tors. theta energy: -222.027 Dist. restrs. and SS energy: 0.000 (S_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: 72 Temperature: 1.050000 Total energy: -2609.283416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.283416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.283416 (E_RNA) where: Base-Base interactions energy: -1859.524 where: short stacking energy: -727.652 Base-Backbone interact. energy: -2.048 local terms energy: -747.710592 where: bonds (distance) C4'-P energy: -115.597 bonds (distance) P-C4' energy: -137.228 flat angles C4'-P-C4' energy: -160.813 flat angles P-C4'-P energy: -109.574 tors. eta vs tors. theta energy: -224.498 Dist. restrs. and SS energy: 0.000 (S_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: 72 Temperature: 1.100000 Total energy: -2580.947357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.947357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.947357 (E_RNA) where: Base-Base interactions energy: -1845.161 where: short stacking energy: -730.128 Base-Backbone interact. energy: -0.484 local terms energy: -735.302935 where: bonds (distance) C4'-P energy: -120.578 bonds (distance) P-C4' energy: -150.581 flat angles C4'-P-C4' energy: -156.949 flat angles P-C4'-P energy: -92.854 tors. eta vs tors. theta energy: -214.341 Dist. restrs. and SS energy: 0.000 (S_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: 72 Temperature: 1.150000 Total energy: -2518.145927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.145927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.145927 (E_RNA) where: Base-Base interactions energy: -1784.351 where: short stacking energy: -720.169 Base-Backbone interact. energy: -2.125 local terms energy: -731.669667 where: bonds (distance) C4'-P energy: -113.904 bonds (distance) P-C4' energy: -144.898 flat angles C4'-P-C4' energy: -155.599 flat angles P-C4'-P energy: -101.600 tors. eta vs tors. theta energy: -215.669 Dist. restrs. and SS energy: 0.000 (S_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: 72 Temperature: 1.200000 Total energy: -2485.090421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.090421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.090421 (E_RNA) where: Base-Base interactions energy: -1757.077 where: short stacking energy: -709.147 Base-Backbone interact. energy: -2.751 local terms energy: -725.262585 where: bonds (distance) C4'-P energy: -107.668 bonds (distance) P-C4' energy: -137.176 flat angles C4'-P-C4' energy: -153.099 flat angles P-C4'-P energy: -113.896 tors. eta vs tors. theta energy: -213.423 Dist. restrs. and SS energy: 0.000 (S_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: 72 Temperature: 1.250000 Total energy: -2389.093454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.093454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.093454 (E_RNA) where: Base-Base interactions energy: -1699.598 where: short stacking energy: -699.808 Base-Backbone interact. energy: 0.628 local terms energy: -690.123886 where: bonds (distance) C4'-P energy: -101.261 bonds (distance) P-C4' energy: -139.276 flat angles C4'-P-C4' energy: -147.913 flat angles P-C4'-P energy: -92.245 tors. eta vs tors. theta energy: -209.429 Dist. restrs. and SS energy: 0.000 (S_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: 72 Temperature: 1.300000 Total energy: -2136.253289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.253289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.253289 (E_RNA) where: Base-Base interactions energy: -1497.777 where: short stacking energy: -605.311 Base-Backbone interact. energy: -0.000 local terms energy: -638.475807 where: bonds (distance) C4'-P energy: -115.293 bonds (distance) P-C4' energy: -126.474 flat angles C4'-P-C4' energy: -134.395 flat angles P-C4'-P energy: -90.645 tors. eta vs tors. theta energy: -171.668 Dist. restrs. and SS energy: 0.000 (S_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: 72 Temperature: 1.350000 Total energy: -2137.129660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.129660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.129660 (E_RNA) where: Base-Base interactions energy: -1478.896 where: short stacking energy: -610.849 Base-Backbone interact. energy: -0.060 local terms energy: -658.173319 where: bonds (distance) C4'-P energy: -113.383 bonds (distance) P-C4' energy: -134.052 flat angles C4'-P-C4' energy: -138.382 flat angles P-C4'-P energy: -93.249 tors. eta vs tors. theta energy: -179.107 Dist. restrs. and SS energy: 0.000 (S_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: 73 Temperature: 0.900000 Total energy: -2714.717842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.717842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.717842 (E_RNA) where: Base-Base interactions energy: -1941.256 where: short stacking energy: -780.531 Base-Backbone interact. energy: -2.450 local terms energy: -771.012317 where: bonds (distance) C4'-P energy: -116.277 bonds (distance) P-C4' energy: -149.619 flat angles C4'-P-C4' energy: -159.726 flat angles P-C4'-P energy: -116.881 tors. eta vs tors. theta energy: -228.509 Dist. restrs. and SS energy: 0.000 (S_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: 73 Temperature: 0.950000 Total energy: -2670.175589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.175589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.175589 (E_RNA) where: Base-Base interactions energy: -1920.428 where: short stacking energy: -760.143 Base-Backbone interact. energy: -2.164 local terms energy: -747.583623 where: bonds (distance) C4'-P energy: -113.593 bonds (distance) P-C4' energy: -149.471 flat angles C4'-P-C4' energy: -152.947 flat angles P-C4'-P energy: -102.037 tors. eta vs tors. theta energy: -229.536 Dist. restrs. and SS energy: 0.000 (S_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: 73 Temperature: 1.000000 Total energy: -2668.133512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.133512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.133512 (E_RNA) where: Base-Base interactions energy: -1922.318 where: short stacking energy: -764.486 Base-Backbone interact. energy: -2.520 local terms energy: -743.295004 where: bonds (distance) C4'-P energy: -116.753 bonds (distance) P-C4' energy: -137.030 flat angles C4'-P-C4' energy: -156.698 flat angles P-C4'-P energy: -104.329 tors. eta vs tors. theta energy: -228.484 Dist. restrs. and SS energy: 0.000 (S_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: 73 Temperature: 1.050000 Total energy: -2594.523580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.523580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.523580 (E_RNA) where: Base-Base interactions energy: -1851.391 where: short stacking energy: -740.692 Base-Backbone interact. energy: -0.508 local terms energy: -742.624578 where: bonds (distance) C4'-P energy: -110.028 bonds (distance) P-C4' energy: -140.444 flat angles C4'-P-C4' energy: -153.770 flat angles P-C4'-P energy: -117.074 tors. eta vs tors. theta energy: -221.309 Dist. restrs. and SS energy: 0.000 (S_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: 73 Temperature: 1.100000 Total energy: -2575.142806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.142806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.142806 (E_RNA) where: Base-Base interactions energy: -1861.149 where: short stacking energy: -724.362 Base-Backbone interact. energy: -0.967 local terms energy: -713.027417 where: bonds (distance) C4'-P energy: -112.278 bonds (distance) P-C4' energy: -122.845 flat angles C4'-P-C4' energy: -144.390 flat angles P-C4'-P energy: -112.298 tors. eta vs tors. theta energy: -221.217 Dist. restrs. and SS energy: 0.000 (S_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: 73 Temperature: 1.150000 Total energy: -2507.463845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.463845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.463845 (E_RNA) where: Base-Base interactions energy: -1766.943 where: short stacking energy: -704.310 Base-Backbone interact. energy: -2.149 local terms energy: -738.371930 where: bonds (distance) C4'-P energy: -110.304 bonds (distance) P-C4' energy: -144.825 flat angles C4'-P-C4' energy: -154.540 flat angles P-C4'-P energy: -108.786 tors. eta vs tors. theta energy: -219.917 Dist. restrs. and SS energy: 0.000 (S_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: 73 Temperature: 1.200000 Total energy: -2460.503001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.503001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.503001 (E_RNA) where: Base-Base interactions energy: -1727.776 where: short stacking energy: -699.401 Base-Backbone interact. energy: -2.493 local terms energy: -730.234241 where: bonds (distance) C4'-P energy: -110.085 bonds (distance) P-C4' energy: -150.584 flat angles C4'-P-C4' energy: -152.521 flat angles P-C4'-P energy: -101.767 tors. eta vs tors. theta energy: -215.278 Dist. restrs. and SS energy: 0.000 (S_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: 73 Temperature: 1.250000 Total energy: -2379.551306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.551306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.551306 (E_RNA) where: Base-Base interactions energy: -1669.308 where: short stacking energy: -682.707 Base-Backbone interact. energy: 4.352 local terms energy: -714.595953 where: bonds (distance) C4'-P energy: -114.733 bonds (distance) P-C4' energy: -143.344 flat angles C4'-P-C4' energy: -152.931 flat angles P-C4'-P energy: -95.219 tors. eta vs tors. theta energy: -208.368 Dist. restrs. and SS energy: 0.000 (S_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: 73 Temperature: 1.300000 Total energy: -2157.306956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.306956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.306956 (E_RNA) where: Base-Base interactions energy: -1487.301 where: short stacking energy: -606.661 Base-Backbone interact. energy: -1.337 local terms energy: -668.668996 where: bonds (distance) C4'-P energy: -106.112 bonds (distance) P-C4' energy: -146.956 flat angles C4'-P-C4' energy: -143.289 flat angles P-C4'-P energy: -95.520 tors. eta vs tors. theta energy: -176.793 Dist. restrs. and SS energy: 0.000 (S_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: 73 Temperature: 1.350000 Total energy: -2135.044253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.044253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.044253 (E_RNA) where: Base-Base interactions energy: -1496.107 where: short stacking energy: -610.055 Base-Backbone interact. energy: -1.277 local terms energy: -637.660105 where: bonds (distance) C4'-P energy: -102.365 bonds (distance) P-C4' energy: -138.371 flat angles C4'-P-C4' energy: -142.521 flat angles P-C4'-P energy: -85.030 tors. eta vs tors. theta energy: -169.373 Dist. restrs. and SS energy: 0.000 (S_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: 74 Temperature: 0.900000 Total energy: -2710.425813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.425813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.425813 (E_RNA) where: Base-Base interactions energy: -1934.606 where: short stacking energy: -752.566 Base-Backbone interact. energy: -2.451 local terms energy: -773.368594 where: bonds (distance) C4'-P energy: -115.965 bonds (distance) P-C4' energy: -155.248 flat angles C4'-P-C4' energy: -166.822 flat angles P-C4'-P energy: -114.402 tors. eta vs tors. theta energy: -220.932 Dist. restrs. and SS energy: 0.000 (S_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: 74 Temperature: 0.950000 Total energy: -2694.257696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.257696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.257696 (E_RNA) where: Base-Base interactions energy: -1928.793 where: short stacking energy: -757.860 Base-Backbone interact. energy: -1.032 local terms energy: -764.432602 where: bonds (distance) C4'-P energy: -108.009 bonds (distance) P-C4' energy: -145.541 flat angles C4'-P-C4' energy: -164.664 flat angles P-C4'-P energy: -116.525 tors. eta vs tors. theta energy: -229.693 Dist. restrs. and SS energy: 0.000 (S_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: 74 Temperature: 1.000000 Total energy: -2661.247035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.247035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.247035 (E_RNA) where: Base-Base interactions energy: -1902.303 where: short stacking energy: -767.848 Base-Backbone interact. energy: -1.845 local terms energy: -757.099071 where: bonds (distance) C4'-P energy: -114.429 bonds (distance) P-C4' energy: -152.335 flat angles C4'-P-C4' energy: -160.233 flat angles P-C4'-P energy: -106.162 tors. eta vs tors. theta energy: -223.941 Dist. restrs. and SS energy: 0.000 (S_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: 74 Temperature: 1.050000 Total energy: -2586.981979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.981979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.981979 (E_RNA) where: Base-Base interactions energy: -1830.750 where: short stacking energy: -730.456 Base-Backbone interact. energy: -3.233 local terms energy: -752.999611 where: bonds (distance) C4'-P energy: -117.918 bonds (distance) P-C4' energy: -149.201 flat angles C4'-P-C4' energy: -154.512 flat angles P-C4'-P energy: -106.236 tors. eta vs tors. theta energy: -225.133 Dist. restrs. and SS energy: 0.000 (S_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: 74 Temperature: 1.100000 Total energy: -2555.906893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.906893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.906893 (E_RNA) where: Base-Base interactions energy: -1806.183 where: short stacking energy: -713.937 Base-Backbone interact. energy: -0.529 local terms energy: -749.194631 where: bonds (distance) C4'-P energy: -113.001 bonds (distance) P-C4' energy: -152.556 flat angles C4'-P-C4' energy: -158.937 flat angles P-C4'-P energy: -108.879 tors. eta vs tors. theta energy: -215.822 Dist. restrs. and SS energy: 0.000 (S_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: 74 Temperature: 1.150000 Total energy: -2490.069612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.069612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.069612 (E_RNA) where: Base-Base interactions energy: -1759.975 where: short stacking energy: -717.319 Base-Backbone interact. energy: -1.183 local terms energy: -728.911737 where: bonds (distance) C4'-P energy: -115.500 bonds (distance) P-C4' energy: -136.331 flat angles C4'-P-C4' energy: -154.687 flat angles P-C4'-P energy: -105.713 tors. eta vs tors. theta energy: -216.681 Dist. restrs. and SS energy: 0.000 (S_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: 74 Temperature: 1.200000 Total energy: -2457.904914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.904914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.904914 (E_RNA) where: Base-Base interactions energy: -1746.279 where: short stacking energy: -683.737 Base-Backbone interact. energy: -1.143 local terms energy: -710.483225 where: bonds (distance) C4'-P energy: -113.201 bonds (distance) P-C4' energy: -131.366 flat angles C4'-P-C4' energy: -156.599 flat angles P-C4'-P energy: -95.587 tors. eta vs tors. theta energy: -213.730 Dist. restrs. and SS energy: 0.000 (S_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: 74 Temperature: 1.250000 Total energy: -2346.756858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.756858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.756858 (E_RNA) where: Base-Base interactions energy: -1646.712 where: short stacking energy: -682.055 Base-Backbone interact. energy: -0.415 local terms energy: -699.630320 where: bonds (distance) C4'-P energy: -115.106 bonds (distance) P-C4' energy: -137.072 flat angles C4'-P-C4' energy: -146.516 flat angles P-C4'-P energy: -97.655 tors. eta vs tors. theta energy: -203.282 Dist. restrs. and SS energy: 0.000 (S_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: 74 Temperature: 1.300000 Total energy: -2184.180163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.180163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.180163 (E_RNA) where: Base-Base interactions energy: -1544.969 where: short stacking energy: -645.933 Base-Backbone interact. energy: 1.601 local terms energy: -640.811526 where: bonds (distance) C4'-P energy: -109.191 bonds (distance) P-C4' energy: -122.867 flat angles C4'-P-C4' energy: -134.511 flat angles P-C4'-P energy: -89.595 tors. eta vs tors. theta energy: -184.649 Dist. restrs. and SS energy: 0.000 (S_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: 74 Temperature: 1.350000 Total energy: -2101.277828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.277828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.277828 (E_RNA) where: Base-Base interactions energy: -1453.832 where: short stacking energy: -591.701 Base-Backbone interact. energy: -1.922 local terms energy: -645.524584 where: bonds (distance) C4'-P energy: -111.268 bonds (distance) P-C4' energy: -129.386 flat angles C4'-P-C4' energy: -146.475 flat angles P-C4'-P energy: -90.825 tors. eta vs tors. theta energy: -167.571 Dist. restrs. and SS energy: 0.000 (S_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: 75 Temperature: 0.900000 Total energy: -2725.855460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.855460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.855460 (E_RNA) where: Base-Base interactions energy: -1946.217 where: short stacking energy: -765.609 Base-Backbone interact. energy: -2.693 local terms energy: -776.945108 where: bonds (distance) C4'-P energy: -119.093 bonds (distance) P-C4' energy: -147.283 flat angles C4'-P-C4' energy: -161.422 flat angles P-C4'-P energy: -121.261 tors. eta vs tors. theta energy: -227.886 Dist. restrs. and SS energy: 0.000 (S_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: 75 Temperature: 0.950000 Total energy: -2695.681507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.681507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.681507 (E_RNA) where: Base-Base interactions energy: -1936.014 where: short stacking energy: -756.339 Base-Backbone interact. energy: -1.600 local terms energy: -758.067949 where: bonds (distance) C4'-P energy: -113.848 bonds (distance) P-C4' energy: -149.930 flat angles C4'-P-C4' energy: -160.785 flat angles P-C4'-P energy: -107.273 tors. eta vs tors. theta energy: -226.232 Dist. restrs. and SS energy: 0.000 (S_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: 75 Temperature: 1.000000 Total energy: -2667.964958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.964958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.964958 (E_RNA) where: Base-Base interactions energy: -1914.297 where: short stacking energy: -760.555 Base-Backbone interact. energy: -2.616 local terms energy: -751.052464 where: bonds (distance) C4'-P energy: -111.406 bonds (distance) P-C4' energy: -149.900 flat angles C4'-P-C4' energy: -152.785 flat angles P-C4'-P energy: -107.371 tors. eta vs tors. theta energy: -229.590 Dist. restrs. and SS energy: 0.000 (S_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: 75 Temperature: 1.050000 Total energy: -2568.344915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.344915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.344915 (E_RNA) where: Base-Base interactions energy: -1832.547 where: short stacking energy: -738.011 Base-Backbone interact. energy: -0.042 local terms energy: -735.755034 where: bonds (distance) C4'-P energy: -104.528 bonds (distance) P-C4' energy: -153.389 flat angles C4'-P-C4' energy: -154.078 flat angles P-C4'-P energy: -110.970 tors. eta vs tors. theta energy: -212.791 Dist. restrs. and SS energy: 0.000 (S_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: 75 Temperature: 1.100000 Total energy: -2571.833295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.833295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.833295 (E_RNA) where: Base-Base interactions energy: -1840.043 where: short stacking energy: -738.331 Base-Backbone interact. energy: 3.257 local terms energy: -735.047606 where: bonds (distance) C4'-P energy: -114.000 bonds (distance) P-C4' energy: -138.311 flat angles C4'-P-C4' energy: -160.758 flat angles P-C4'-P energy: -104.796 tors. eta vs tors. theta energy: -217.183 Dist. restrs. and SS energy: 0.000 (S_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: 75 Temperature: 1.150000 Total energy: -2502.725689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.725689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.725689 (E_RNA) where: Base-Base interactions energy: -1781.853 where: short stacking energy: -731.066 Base-Backbone interact. energy: -0.022 local terms energy: -720.850460 where: bonds (distance) C4'-P energy: -111.913 bonds (distance) P-C4' energy: -137.491 flat angles C4'-P-C4' energy: -145.165 flat angles P-C4'-P energy: -96.146 tors. eta vs tors. theta energy: -230.135 Dist. restrs. and SS energy: 0.000 (S_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: 75 Temperature: 1.200000 Total energy: -2472.698028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.698028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.698028 (E_RNA) where: Base-Base interactions energy: -1744.664 where: short stacking energy: -688.402 Base-Backbone interact. energy: 3.830 local terms energy: -731.864111 where: bonds (distance) C4'-P energy: -116.222 bonds (distance) P-C4' energy: -140.462 flat angles C4'-P-C4' energy: -154.842 flat angles P-C4'-P energy: -111.445 tors. eta vs tors. theta energy: -208.894 Dist. restrs. and SS energy: 0.000 (S_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: 75 Temperature: 1.250000 Total energy: -2328.694895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.694895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.694895 (E_RNA) where: Base-Base interactions energy: -1659.697 where: short stacking energy: -672.466 Base-Backbone interact. energy: -1.117 local terms energy: -667.881149 where: bonds (distance) C4'-P energy: -114.640 bonds (distance) P-C4' energy: -122.773 flat angles C4'-P-C4' energy: -140.970 flat angles P-C4'-P energy: -100.969 tors. eta vs tors. theta energy: -188.528 Dist. restrs. and SS energy: 0.000 (S_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: 75 Temperature: 1.300000 Total energy: -2194.026602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.026602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.026602 (E_RNA) where: Base-Base interactions energy: -1541.915 where: short stacking energy: -625.744 Base-Backbone interact. energy: -1.317 local terms energy: -650.794626 where: bonds (distance) C4'-P energy: -103.703 bonds (distance) P-C4' energy: -147.764 flat angles C4'-P-C4' energy: -125.740 flat angles P-C4'-P energy: -98.773 tors. eta vs tors. theta energy: -174.814 Dist. restrs. and SS energy: 0.000 (S_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: 75 Temperature: 1.350000 Total energy: -2081.994724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.994724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.994724 (E_RNA) where: Base-Base interactions energy: -1455.097 where: short stacking energy: -606.892 Base-Backbone interact. energy: 1.777 local terms energy: -628.674593 where: bonds (distance) C4'-P energy: -109.578 bonds (distance) P-C4' energy: -138.252 flat angles C4'-P-C4' energy: -124.202 flat angles P-C4'-P energy: -84.222 tors. eta vs tors. theta energy: -172.421 Dist. restrs. and SS energy: 0.000 (S_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: 76 Temperature: 0.900000 Total energy: -2703.698444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.698444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.698444 (E_RNA) where: Base-Base interactions energy: -1926.298 where: short stacking energy: -758.295 Base-Backbone interact. energy: -1.903 local terms energy: -775.497073 where: bonds (distance) C4'-P energy: -116.222 bonds (distance) P-C4' energy: -160.446 flat angles C4'-P-C4' energy: -163.791 flat angles P-C4'-P energy: -107.266 tors. eta vs tors. theta energy: -227.771 Dist. restrs. and SS energy: 0.000 (S_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: 76 Temperature: 0.950000 Total energy: -2699.136281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.136281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.136281 (E_RNA) where: Base-Base interactions energy: -1941.569 where: short stacking energy: -761.815 Base-Backbone interact. energy: -1.256 local terms energy: -756.311660 where: bonds (distance) C4'-P energy: -118.239 bonds (distance) P-C4' energy: -149.680 flat angles C4'-P-C4' energy: -156.363 flat angles P-C4'-P energy: -102.050 tors. eta vs tors. theta energy: -229.980 Dist. restrs. and SS energy: 0.000 (S_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: -2643.532768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.532768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.532768 (E_RNA) where: Base-Base interactions energy: -1895.890 where: short stacking energy: -767.989 Base-Backbone interact. energy: -1.608 local terms energy: -746.035222 where: bonds (distance) C4'-P energy: -117.226 bonds (distance) P-C4' energy: -137.112 flat angles C4'-P-C4' energy: -160.042 flat angles P-C4'-P energy: -105.468 tors. eta vs tors. theta energy: -226.188 Dist. restrs. and SS energy: 0.000 (S_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: 76 Temperature: 1.050000 Total energy: -2584.042810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.042810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.042810 (E_RNA) where: Base-Base interactions energy: -1849.501 where: short stacking energy: -737.608 Base-Backbone interact. energy: -2.886 local terms energy: -731.656412 where: bonds (distance) C4'-P energy: -120.357 bonds (distance) P-C4' energy: -146.961 flat angles C4'-P-C4' energy: -147.540 flat angles P-C4'-P energy: -108.227 tors. eta vs tors. theta energy: -208.572 Dist. restrs. and SS energy: 0.000 (S_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: -2544.436473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.436473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.436473 (E_RNA) where: Base-Base interactions energy: -1827.473 where: short stacking energy: -729.110 Base-Backbone interact. energy: -3.130 local terms energy: -713.833287 where: bonds (distance) C4'-P energy: -110.316 bonds (distance) P-C4' energy: -135.221 flat angles C4'-P-C4' energy: -153.898 flat angles P-C4'-P energy: -99.263 tors. eta vs tors. theta energy: -215.135 Dist. restrs. and SS energy: 0.000 (S_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: 76 Temperature: 1.150000 Total energy: -2493.802187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.802187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.802187 (E_RNA) where: Base-Base interactions energy: -1772.694 where: short stacking energy: -719.929 Base-Backbone interact. energy: -4.623 local terms energy: -716.485884 where: bonds (distance) C4'-P energy: -118.561 bonds (distance) P-C4' energy: -149.977 flat angles C4'-P-C4' energy: -151.803 flat angles P-C4'-P energy: -85.076 tors. eta vs tors. theta energy: -211.069 Dist. restrs. and SS energy: 0.000 (S_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: 76 Temperature: 1.200000 Total energy: -2460.511359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.511359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.511359 (E_RNA) where: Base-Base interactions energy: -1770.159 where: short stacking energy: -703.093 Base-Backbone interact. energy: -1.497 local terms energy: -688.855390 where: bonds (distance) C4'-P energy: -104.873 bonds (distance) P-C4' energy: -138.581 flat angles C4'-P-C4' energy: -145.354 flat angles P-C4'-P energy: -98.111 tors. eta vs tors. theta energy: -201.936 Dist. restrs. and SS energy: 0.000 (S_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: 76 Temperature: 1.250000 Total energy: -2423.725347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.725347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.725347 (E_RNA) where: Base-Base interactions energy: -1724.553 where: short stacking energy: -685.940 Base-Backbone interact. energy: 0.496 local terms energy: -699.667954 where: bonds (distance) C4'-P energy: -111.202 bonds (distance) P-C4' energy: -144.417 flat angles C4'-P-C4' energy: -148.878 flat angles P-C4'-P energy: -90.904 tors. eta vs tors. theta energy: -204.266 Dist. restrs. and SS energy: 0.000 (S_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: 76 Temperature: 1.300000 Total energy: -2165.397598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.397598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.397598 (E_RNA) where: Base-Base interactions energy: -1562.186 where: short stacking energy: -649.319 Base-Backbone interact. energy: 0.624 local terms energy: -603.835265 where: bonds (distance) C4'-P energy: -76.765 bonds (distance) P-C4' energy: -123.801 flat angles C4'-P-C4' energy: -144.748 flat angles P-C4'-P energy: -83.982 tors. eta vs tors. theta energy: -174.540 Dist. restrs. and SS energy: 0.000 (S_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: 76 Temperature: 1.350000 Total energy: -2087.503019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.503019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.503019 (E_RNA) where: Base-Base interactions energy: -1445.803 where: short stacking energy: -603.950 Base-Backbone interact. energy: -1.617 local terms energy: -640.083257 where: bonds (distance) C4'-P energy: -114.801 bonds (distance) P-C4' energy: -122.348 flat angles C4'-P-C4' energy: -144.316 flat angles P-C4'-P energy: -87.261 tors. eta vs tors. theta energy: -171.358 Dist. restrs. and SS energy: 0.000 (S_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: 77 Temperature: 0.900000 Total energy: -2701.200612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.200612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.200612 (E_RNA) where: Base-Base interactions energy: -1927.742 where: short stacking energy: -759.819 Base-Backbone interact. energy: -0.126 local terms energy: -773.333316 where: bonds (distance) C4'-P energy: -108.271 bonds (distance) P-C4' energy: -158.983 flat angles C4'-P-C4' energy: -165.969 flat angles P-C4'-P energy: -112.854 tors. eta vs tors. theta energy: -227.257 Dist. restrs. and SS energy: 0.000 (S_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: 77 Temperature: 0.950000 Total energy: -2680.140935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.140935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.140935 (E_RNA) where: Base-Base interactions energy: -1919.643 where: short stacking energy: -766.037 Base-Backbone interact. energy: -1.652 local terms energy: -758.845413 where: bonds (distance) C4'-P energy: -123.961 bonds (distance) P-C4' energy: -150.171 flat angles C4'-P-C4' energy: -155.059 flat angles P-C4'-P energy: -102.485 tors. eta vs tors. theta energy: -227.169 Dist. restrs. and SS energy: 0.000 (S_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: 77 Temperature: 1.000000 Total energy: -2631.441354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.441354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.441354 (E_RNA) where: Base-Base interactions energy: -1862.460 where: short stacking energy: -749.735 Base-Backbone interact. energy: -1.591 local terms energy: -767.390738 where: bonds (distance) C4'-P energy: -124.575 bonds (distance) P-C4' energy: -141.361 flat angles C4'-P-C4' energy: -156.541 flat angles P-C4'-P energy: -110.901 tors. eta vs tors. theta energy: -234.013 Dist. restrs. and SS energy: 0.000 (S_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: -2599.781280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.781280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.781280 (E_RNA) where: Base-Base interactions energy: -1856.171 where: short stacking energy: -731.336 Base-Backbone interact. energy: -4.043 local terms energy: -739.566682 where: bonds (distance) C4'-P energy: -122.849 bonds (distance) P-C4' energy: -148.466 flat angles C4'-P-C4' energy: -150.275 flat angles P-C4'-P energy: -99.013 tors. eta vs tors. theta energy: -218.965 Dist. restrs. and SS energy: 0.000 (S_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: 77 Temperature: 1.100000 Total energy: -2559.016237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.016237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.016237 (E_RNA) where: Base-Base interactions energy: -1815.468 where: short stacking energy: -733.511 Base-Backbone interact. energy: -3.087 local terms energy: -740.461016 where: bonds (distance) C4'-P energy: -100.865 bonds (distance) P-C4' energy: -145.201 flat angles C4'-P-C4' energy: -155.765 flat angles P-C4'-P energy: -114.678 tors. eta vs tors. theta energy: -223.953 Dist. restrs. and SS energy: 0.000 (S_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: 77 Temperature: 1.150000 Total energy: -2481.648250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.648250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.648250 (E_RNA) where: Base-Base interactions energy: -1752.684 where: short stacking energy: -701.756 Base-Backbone interact. energy: -1.642 local terms energy: -727.321624 where: bonds (distance) C4'-P energy: -118.364 bonds (distance) P-C4' energy: -146.190 flat angles C4'-P-C4' energy: -151.392 flat angles P-C4'-P energy: -94.277 tors. eta vs tors. theta energy: -217.099 Dist. restrs. and SS energy: 0.000 (S_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: 77 Temperature: 1.200000 Total energy: -2434.984266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.984266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.984266 (E_RNA) where: Base-Base interactions energy: -1721.285 where: short stacking energy: -695.269 Base-Backbone interact. energy: 0.293 local terms energy: -713.992396 where: bonds (distance) C4'-P energy: -120.263 bonds (distance) P-C4' energy: -146.765 flat angles C4'-P-C4' energy: -148.742 flat angles P-C4'-P energy: -92.582 tors. eta vs tors. theta energy: -205.640 Dist. restrs. and SS energy: 0.000 (S_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: 77 Temperature: 1.250000 Total energy: -2414.720767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.720767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.720767 (E_RNA) where: Base-Base interactions energy: -1698.941 where: short stacking energy: -677.244 Base-Backbone interact. energy: -1.611 local terms energy: -714.168279 where: bonds (distance) C4'-P energy: -117.229 bonds (distance) P-C4' energy: -136.088 flat angles C4'-P-C4' energy: -147.006 flat angles P-C4'-P energy: -104.083 tors. eta vs tors. theta energy: -209.762 Dist. restrs. and SS energy: 0.000 (S_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: 77 Temperature: 1.300000 Total energy: -2201.197320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.197320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.197320 (E_RNA) where: Base-Base interactions energy: -1558.392 where: short stacking energy: -645.565 Base-Backbone interact. energy: 0.833 local terms energy: -643.638544 where: bonds (distance) C4'-P energy: -98.572 bonds (distance) P-C4' energy: -120.590 flat angles C4'-P-C4' energy: -147.452 flat angles P-C4'-P energy: -87.298 tors. eta vs tors. theta energy: -189.726 Dist. restrs. and SS energy: 0.000 (S_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: 77 Temperature: 1.350000 Total energy: -2086.774553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.774553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.774553 (E_RNA) where: Base-Base interactions energy: -1436.547 where: short stacking energy: -586.712 Base-Backbone interact. energy: -1.133 local terms energy: -649.094297 where: bonds (distance) C4'-P energy: -97.493 bonds (distance) P-C4' energy: -144.728 flat angles C4'-P-C4' energy: -144.112 flat angles P-C4'-P energy: -100.824 tors. eta vs tors. theta energy: -161.937 Dist. restrs. and SS energy: 0.000 (S_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: 78 Temperature: 0.900000 Total energy: -2694.966036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.966036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.966036 (E_RNA) where: Base-Base interactions energy: -1935.056 where: short stacking energy: -756.570 Base-Backbone interact. energy: -1.659 local terms energy: -758.251728 where: bonds (distance) C4'-P energy: -123.637 bonds (distance) P-C4' energy: -149.849 flat angles C4'-P-C4' energy: -157.062 flat angles P-C4'-P energy: -108.514 tors. eta vs tors. theta energy: -219.191 Dist. restrs. and SS energy: 0.000 (S_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: 78 Temperature: 0.950000 Total energy: -2672.346240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.346240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.346240 (E_RNA) where: Base-Base interactions energy: -1901.645 where: short stacking energy: -743.891 Base-Backbone interact. energy: -4.148 local terms energy: -766.553643 where: bonds (distance) C4'-P energy: -120.067 bonds (distance) P-C4' energy: -153.215 flat angles C4'-P-C4' energy: -156.996 flat angles P-C4'-P energy: -110.339 tors. eta vs tors. theta energy: -225.936 Dist. restrs. and SS energy: 0.000 (S_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: 78 Temperature: 1.000000 Total energy: -2610.130403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.130403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.130403 (E_RNA) where: Base-Base interactions energy: -1865.696 where: short stacking energy: -751.077 Base-Backbone interact. energy: -2.533 local terms energy: -741.901756 where: bonds (distance) C4'-P energy: -119.271 bonds (distance) P-C4' energy: -146.579 flat angles C4'-P-C4' energy: -149.361 flat angles P-C4'-P energy: -107.038 tors. eta vs tors. theta energy: -219.653 Dist. restrs. and SS energy: 0.000 (S_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: 78 Temperature: 1.050000 Total energy: -2612.064717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.064717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.064717 (E_RNA) where: Base-Base interactions energy: -1885.540 where: short stacking energy: -752.534 Base-Backbone interact. energy: -0.161 local terms energy: -726.363850 where: bonds (distance) C4'-P energy: -110.859 bonds (distance) P-C4' energy: -137.655 flat angles C4'-P-C4' energy: -152.110 flat angles P-C4'-P energy: -104.516 tors. eta vs tors. theta energy: -221.223 Dist. restrs. and SS energy: 0.000 (S_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: 78 Temperature: 1.100000 Total energy: -2569.365164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.365164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.365164 (E_RNA) where: Base-Base interactions energy: -1842.415 where: short stacking energy: -711.326 Base-Backbone interact. energy: -3.175 local terms energy: -723.775125 where: bonds (distance) C4'-P energy: -105.480 bonds (distance) P-C4' energy: -137.583 flat angles C4'-P-C4' energy: -156.423 flat angles P-C4'-P energy: -102.598 tors. eta vs tors. theta energy: -221.691 Dist. restrs. and SS energy: 0.000 (S_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: -2499.608647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.608647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.608647 (E_RNA) where: Base-Base interactions energy: -1759.013 where: short stacking energy: -715.929 Base-Backbone interact. energy: -1.949 local terms energy: -738.646336 where: bonds (distance) C4'-P energy: -121.378 bonds (distance) P-C4' energy: -148.894 flat angles C4'-P-C4' energy: -155.146 flat angles P-C4'-P energy: -94.981 tors. eta vs tors. theta energy: -218.246 Dist. restrs. and SS energy: 0.000 (S_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: -2400.207656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.207656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.207656 (E_RNA) where: Base-Base interactions energy: -1704.480 where: short stacking energy: -684.539 Base-Backbone interact. energy: 0.571 local terms energy: -696.299222 where: bonds (distance) C4'-P energy: -96.141 bonds (distance) P-C4' energy: -134.196 flat angles C4'-P-C4' energy: -154.388 flat angles P-C4'-P energy: -97.734 tors. eta vs tors. theta energy: -213.841 Dist. restrs. and SS energy: 0.000 (S_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: 78 Temperature: 1.250000 Total energy: -2394.548065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.548065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.548065 (E_RNA) where: Base-Base interactions energy: -1684.712 where: short stacking energy: -688.033 Base-Backbone interact. energy: -1.160 local terms energy: -708.676264 where: bonds (distance) C4'-P energy: -111.224 bonds (distance) P-C4' energy: -135.484 flat angles C4'-P-C4' energy: -155.607 flat angles P-C4'-P energy: -100.904 tors. eta vs tors. theta energy: -205.457 Dist. restrs. and SS energy: 0.000 (S_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: 78 Temperature: 1.300000 Total energy: -2188.021870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.021870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.021870 (E_RNA) where: Base-Base interactions energy: -1505.237 where: short stacking energy: -604.579 Base-Backbone interact. energy: -0.003 local terms energy: -682.782007 where: bonds (distance) C4'-P energy: -109.033 bonds (distance) P-C4' energy: -158.569 flat angles C4'-P-C4' energy: -138.790 flat angles P-C4'-P energy: -92.378 tors. eta vs tors. theta energy: -184.013 Dist. restrs. and SS energy: 0.000 (S_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: 78 Temperature: 1.350000 Total energy: -2103.404638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.404638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.404638 (E_RNA) where: Base-Base interactions energy: -1476.002 where: short stacking energy: -610.333 Base-Backbone interact. energy: 0.393 local terms energy: -627.795323 where: bonds (distance) C4'-P energy: -100.100 bonds (distance) P-C4' energy: -128.745 flat angles C4'-P-C4' energy: -137.537 flat angles P-C4'-P energy: -91.405 tors. eta vs tors. theta energy: -170.009 Dist. restrs. and SS energy: 0.000 (S_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: 79 Temperature: 0.900000 Total energy: -2710.765342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.765342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.765342 (E_RNA) where: Base-Base interactions energy: -1927.120 where: short stacking energy: -754.590 Base-Backbone interact. energy: -1.772 local terms energy: -781.873739 where: bonds (distance) C4'-P energy: -125.226 bonds (distance) P-C4' energy: -158.492 flat angles C4'-P-C4' energy: -166.543 flat angles P-C4'-P energy: -108.057 tors. eta vs tors. theta energy: -223.556 Dist. restrs. and SS energy: 0.000 (S_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: 79 Temperature: 0.950000 Total energy: -2672.070902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.070902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.070902 (E_RNA) where: Base-Base interactions energy: -1890.808 where: short stacking energy: -757.207 Base-Backbone interact. energy: -2.765 local terms energy: -778.497987 where: bonds (distance) C4'-P energy: -124.351 bonds (distance) P-C4' energy: -148.017 flat angles C4'-P-C4' energy: -157.768 flat angles P-C4'-P energy: -111.984 tors. eta vs tors. theta energy: -236.379 Dist. restrs. and SS energy: 0.000 (S_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: 79 Temperature: 1.000000 Total energy: -2686.552692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.552692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.552692 (E_RNA) where: Base-Base interactions energy: -1928.032 where: short stacking energy: -754.374 Base-Backbone interact. energy: -1.363 local terms energy: -757.158246 where: bonds (distance) C4'-P energy: -119.046 bonds (distance) P-C4' energy: -145.818 flat angles C4'-P-C4' energy: -157.928 flat angles P-C4'-P energy: -113.032 tors. eta vs tors. theta energy: -221.334 Dist. restrs. and SS energy: 0.000 (S_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: 79 Temperature: 1.050000 Total energy: -2613.180110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.180110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.180110 (E_RNA) where: Base-Base interactions energy: -1868.428 where: short stacking energy: -729.342 Base-Backbone interact. energy: -1.105 local terms energy: -743.647839 where: bonds (distance) C4'-P energy: -112.157 bonds (distance) P-C4' energy: -144.249 flat angles C4'-P-C4' energy: -159.113 flat angles P-C4'-P energy: -113.183 tors. eta vs tors. theta energy: -214.945 Dist. restrs. and SS energy: 0.000 (S_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: 79 Temperature: 1.100000 Total energy: -2563.498679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.498679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.498679 (E_RNA) where: Base-Base interactions energy: -1822.010 where: short stacking energy: -726.513 Base-Backbone interact. energy: -2.335 local terms energy: -739.153221 where: bonds (distance) C4'-P energy: -109.023 bonds (distance) P-C4' energy: -152.348 flat angles C4'-P-C4' energy: -148.328 flat angles P-C4'-P energy: -110.497 tors. eta vs tors. theta energy: -218.957 Dist. restrs. and SS energy: 0.000 (S_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: 79 Temperature: 1.150000 Total energy: -2494.039057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.039057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.039057 (E_RNA) where: Base-Base interactions energy: -1776.019 where: short stacking energy: -724.731 Base-Backbone interact. energy: -0.962 local terms energy: -717.057859 where: bonds (distance) C4'-P energy: -94.477 bonds (distance) P-C4' energy: -141.850 flat angles C4'-P-C4' energy: -143.187 flat angles P-C4'-P energy: -112.010 tors. eta vs tors. theta energy: -225.534 Dist. restrs. and SS energy: 0.000 (S_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: 79 Temperature: 1.200000 Total energy: -2460.987562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.987562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.987562 (E_RNA) where: Base-Base interactions energy: -1753.910 where: short stacking energy: -711.524 Base-Backbone interact. energy: 0.596 local terms energy: -707.672746 where: bonds (distance) C4'-P energy: -106.742 bonds (distance) P-C4' energy: -143.778 flat angles C4'-P-C4' energy: -137.059 flat angles P-C4'-P energy: -106.790 tors. eta vs tors. theta energy: -213.303 Dist. restrs. and SS energy: 0.000 (S_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: 79 Temperature: 1.250000 Total energy: -2351.951253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.951253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.951253 (E_RNA) where: Base-Base interactions energy: -1658.403 where: short stacking energy: -676.104 Base-Backbone interact. energy: -1.267 local terms energy: -692.280549 where: bonds (distance) C4'-P energy: -103.463 bonds (distance) P-C4' energy: -144.968 flat angles C4'-P-C4' energy: -153.458 flat angles P-C4'-P energy: -89.661 tors. eta vs tors. theta energy: -200.731 Dist. restrs. and SS energy: 0.000 (S_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: 79 Temperature: 1.300000 Total energy: -2184.122975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.122975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.122975 (E_RNA) where: Base-Base interactions energy: -1531.095 where: short stacking energy: -621.059 Base-Backbone interact. energy: 3.479 local terms energy: -656.507329 where: bonds (distance) C4'-P energy: -107.329 bonds (distance) P-C4' energy: -143.133 flat angles C4'-P-C4' energy: -140.446 flat angles P-C4'-P energy: -91.038 tors. eta vs tors. theta energy: -174.561 Dist. restrs. and SS energy: 0.000 (S_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: 79 Temperature: 1.350000 Total energy: -2073.576941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.576941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.576941 (E_RNA) where: Base-Base interactions energy: -1450.683 where: short stacking energy: -601.104 Base-Backbone interact. energy: -1.335 local terms energy: -621.558721 where: bonds (distance) C4'-P energy: -110.881 bonds (distance) P-C4' energy: -137.115 flat angles C4'-P-C4' energy: -149.246 flat angles P-C4'-P energy: -73.194 tors. eta vs tors. theta energy: -151.123 Dist. restrs. and SS energy: 0.000 (S_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: 80 Temperature: 0.900000 Total energy: -2730.382642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.382642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.382642 (E_RNA) where: Base-Base interactions energy: -1952.302 where: short stacking energy: -763.357 Base-Backbone interact. energy: -3.315 local terms energy: -774.765376 where: bonds (distance) C4'-P energy: -123.204 bonds (distance) P-C4' energy: -145.041 flat angles C4'-P-C4' energy: -163.753 flat angles P-C4'-P energy: -115.354 tors. eta vs tors. theta energy: -227.414 Dist. restrs. and SS energy: 0.000 (S_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: -2662.086623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.086623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.086623 (E_RNA) where: Base-Base interactions energy: -1897.751 where: short stacking energy: -742.374 Base-Backbone interact. energy: -3.409 local terms energy: -760.927212 where: bonds (distance) C4'-P energy: -115.376 bonds (distance) P-C4' energy: -158.751 flat angles C4'-P-C4' energy: -159.271 flat angles P-C4'-P energy: -107.287 tors. eta vs tors. theta energy: -220.243 Dist. restrs. and SS energy: 0.000 (S_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: -2675.459878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.459878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.459878 (E_RNA) where: Base-Base interactions energy: -1927.213 where: short stacking energy: -753.373 Base-Backbone interact. energy: -2.013 local terms energy: -746.234065 where: bonds (distance) C4'-P energy: -112.732 bonds (distance) P-C4' energy: -152.367 flat angles C4'-P-C4' energy: -154.271 flat angles P-C4'-P energy: -106.508 tors. eta vs tors. theta energy: -220.356 Dist. restrs. and SS energy: 0.000 (S_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: 80 Temperature: 1.050000 Total energy: -2587.108534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.108534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.108534 (E_RNA) where: Base-Base interactions energy: -1844.707 where: short stacking energy: -738.183 Base-Backbone interact. energy: -1.803 local terms energy: -740.598769 where: bonds (distance) C4'-P energy: -107.087 bonds (distance) P-C4' energy: -143.400 flat angles C4'-P-C4' energy: -156.196 flat angles P-C4'-P energy: -111.347 tors. eta vs tors. theta energy: -222.568 Dist. restrs. and SS energy: 0.000 (S_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: 80 Temperature: 1.100000 Total energy: -2539.871622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.871622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.871622 (E_RNA) where: Base-Base interactions energy: -1834.376 where: short stacking energy: -721.518 Base-Backbone interact. energy: -0.612 local terms energy: -704.883599 where: bonds (distance) C4'-P energy: -114.448 bonds (distance) P-C4' energy: -132.610 flat angles C4'-P-C4' energy: -148.582 flat angles P-C4'-P energy: -99.376 tors. eta vs tors. theta energy: -209.868 Dist. restrs. and SS energy: 0.000 (S_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: 80 Temperature: 1.150000 Total energy: -2524.105438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.105438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.105438 (E_RNA) where: Base-Base interactions energy: -1810.146 where: short stacking energy: -736.038 Base-Backbone interact. energy: 2.655 local terms energy: -716.614401 where: bonds (distance) C4'-P energy: -109.014 bonds (distance) P-C4' energy: -122.411 flat angles C4'-P-C4' energy: -151.345 flat angles P-C4'-P energy: -106.747 tors. eta vs tors. theta energy: -227.097 Dist. restrs. and SS energy: 0.000 (S_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: 80 Temperature: 1.200000 Total energy: -2454.837721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.837721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.837721 (E_RNA) where: Base-Base interactions energy: -1750.158 where: short stacking energy: -713.746 Base-Backbone interact. energy: -1.388 local terms energy: -703.290816 where: bonds (distance) C4'-P energy: -111.419 bonds (distance) P-C4' energy: -126.404 flat angles C4'-P-C4' energy: -147.485 flat angles P-C4'-P energy: -101.308 tors. eta vs tors. theta energy: -216.675 Dist. restrs. and SS energy: 0.000 (S_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: 80 Temperature: 1.250000 Total energy: -2412.665140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.665140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.665140 (E_RNA) where: Base-Base interactions energy: -1707.644 where: short stacking energy: -695.526 Base-Backbone interact. energy: -2.521 local terms energy: -702.499558 where: bonds (distance) C4'-P energy: -101.300 bonds (distance) P-C4' energy: -133.442 flat angles C4'-P-C4' energy: -155.339 flat angles P-C4'-P energy: -102.348 tors. eta vs tors. theta energy: -210.071 Dist. restrs. and SS energy: 0.000 (S_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: 80 Temperature: 1.300000 Total energy: -2197.669701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.669701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.669701 (E_RNA) where: Base-Base interactions energy: -1540.710 where: short stacking energy: -636.757 Base-Backbone interact. energy: -1.893 local terms energy: -655.067255 where: bonds (distance) C4'-P energy: -95.313 bonds (distance) P-C4' energy: -141.852 flat angles C4'-P-C4' energy: -140.760 flat angles P-C4'-P energy: -95.651 tors. eta vs tors. theta energy: -181.492 Dist. restrs. and SS energy: 0.000 (S_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: -2083.419740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.419740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.419740 (E_RNA) where: Base-Base interactions energy: -1450.048 where: short stacking energy: -590.843 Base-Backbone interact. energy: -1.317 local terms energy: -632.054879 where: bonds (distance) C4'-P energy: -85.757 bonds (distance) P-C4' energy: -136.750 flat angles C4'-P-C4' energy: -136.614 flat angles P-C4'-P energy: -104.345 tors. eta vs tors. theta energy: -168.588 Dist. restrs. and SS energy: 0.000 (S_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: 81 Temperature: 0.900000 Total energy: -2718.701545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.701545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.701545 (E_RNA) where: Base-Base interactions energy: -1936.448 where: short stacking energy: -753.133 Base-Backbone interact. energy: -3.499 local terms energy: -778.754535 where: bonds (distance) C4'-P energy: -131.857 bonds (distance) P-C4' energy: -159.026 flat angles C4'-P-C4' energy: -152.243 flat angles P-C4'-P energy: -108.282 tors. eta vs tors. theta energy: -227.347 Dist. restrs. and SS energy: 0.000 (S_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: 81 Temperature: 0.950000 Total energy: -2677.645688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.645688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.645688 (E_RNA) where: Base-Base interactions energy: -1912.715 where: short stacking energy: -762.665 Base-Backbone interact. energy: -1.417 local terms energy: -763.513569 where: bonds (distance) C4'-P energy: -129.225 bonds (distance) P-C4' energy: -149.587 flat angles C4'-P-C4' energy: -148.333 flat angles P-C4'-P energy: -109.879 tors. eta vs tors. theta energy: -226.489 Dist. restrs. and SS energy: 0.000 (S_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: 81 Temperature: 1.000000 Total energy: -2667.627806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.627806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.627806 (E_RNA) where: Base-Base interactions energy: -1925.139 where: short stacking energy: -763.709 Base-Backbone interact. energy: -2.420 local terms energy: -740.068287 where: bonds (distance) C4'-P energy: -119.851 bonds (distance) P-C4' energy: -130.560 flat angles C4'-P-C4' energy: -156.695 flat angles P-C4'-P energy: -110.597 tors. eta vs tors. theta energy: -222.365 Dist. restrs. and SS energy: 0.000 (S_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: 81 Temperature: 1.050000 Total energy: -2596.042345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.042345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.042345 (E_RNA) where: Base-Base interactions energy: -1843.609 where: short stacking energy: -744.227 Base-Backbone interact. energy: -0.192 local terms energy: -752.240885 where: bonds (distance) C4'-P energy: -113.513 bonds (distance) P-C4' energy: -148.051 flat angles C4'-P-C4' energy: -157.256 flat angles P-C4'-P energy: -113.385 tors. eta vs tors. theta energy: -220.036 Dist. restrs. and SS energy: 0.000 (S_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: 81 Temperature: 1.100000 Total energy: -2562.223085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.223085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.223085 (E_RNA) where: Base-Base interactions energy: -1841.093 where: short stacking energy: -720.442 Base-Backbone interact. energy: -1.275 local terms energy: -719.855815 where: bonds (distance) C4'-P energy: -117.135 bonds (distance) P-C4' energy: -138.176 flat angles C4'-P-C4' energy: -152.042 flat angles P-C4'-P energy: -104.498 tors. eta vs tors. theta energy: -208.004 Dist. restrs. and SS energy: 0.000 (S_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: 81 Temperature: 1.150000 Total energy: -2516.499764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.499764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.499764 (E_RNA) where: Base-Base interactions energy: -1800.743 where: short stacking energy: -717.677 Base-Backbone interact. energy: -0.755 local terms energy: -715.002010 where: bonds (distance) C4'-P energy: -95.212 bonds (distance) P-C4' energy: -141.832 flat angles C4'-P-C4' energy: -158.836 flat angles P-C4'-P energy: -98.615 tors. eta vs tors. theta energy: -220.506 Dist. restrs. and SS energy: 0.000 (S_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: 81 Temperature: 1.200000 Total energy: -2467.149261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.149261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.149261 (E_RNA) where: Base-Base interactions energy: -1742.005 where: short stacking energy: -704.513 Base-Backbone interact. energy: -0.522 local terms energy: -724.622155 where: bonds (distance) C4'-P energy: -121.129 bonds (distance) P-C4' energy: -145.205 flat angles C4'-P-C4' energy: -143.902 flat angles P-C4'-P energy: -101.073 tors. eta vs tors. theta energy: -213.314 Dist. restrs. and SS energy: 0.000 (S_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: 81 Temperature: 1.250000 Total energy: -2425.429246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.429246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.429246 (E_RNA) where: Base-Base interactions energy: -1716.213 where: short stacking energy: -668.285 Base-Backbone interact. energy: 2.712 local terms energy: -711.928874 where: bonds (distance) C4'-P energy: -110.868 bonds (distance) P-C4' energy: -149.838 flat angles C4'-P-C4' energy: -149.665 flat angles P-C4'-P energy: -100.613 tors. eta vs tors. theta energy: -200.945 Dist. restrs. and SS energy: 0.000 (S_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: 81 Temperature: 1.300000 Total energy: -2157.109562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.109562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.109562 (E_RNA) where: Base-Base interactions energy: -1515.544 where: short stacking energy: -610.469 Base-Backbone interact. energy: -1.317 local terms energy: -640.247876 where: bonds (distance) C4'-P energy: -108.199 bonds (distance) P-C4' energy: -134.949 flat angles C4'-P-C4' energy: -138.288 flat angles P-C4'-P energy: -89.208 tors. eta vs tors. theta energy: -169.604 Dist. restrs. and SS energy: 0.000 (S_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: -2089.793592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.793592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.793592 (E_RNA) where: Base-Base interactions energy: -1469.161 where: short stacking energy: -604.595 Base-Backbone interact. energy: -1.164 local terms energy: -619.468678 where: bonds (distance) C4'-P energy: -88.936 bonds (distance) P-C4' energy: -140.278 flat angles C4'-P-C4' energy: -133.416 flat angles P-C4'-P energy: -82.105 tors. eta vs tors. theta energy: -174.734 Dist. restrs. and SS energy: 0.000 (S_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: 82 Temperature: 0.900000 Total energy: -2713.281400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.281400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.281400 (E_RNA) where: Base-Base interactions energy: -1935.060 where: short stacking energy: -756.451 Base-Backbone interact. energy: -3.129 local terms energy: -775.092521 where: bonds (distance) C4'-P energy: -125.256 bonds (distance) P-C4' energy: -161.827 flat angles C4'-P-C4' energy: -159.001 flat angles P-C4'-P energy: -101.856 tors. eta vs tors. theta energy: -227.152 Dist. restrs. and SS energy: 0.000 (S_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: 82 Temperature: 0.950000 Total energy: -2682.416408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.416408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.416408 (E_RNA) where: Base-Base interactions energy: -1912.747 where: short stacking energy: -770.228 Base-Backbone interact. energy: -0.572 local terms energy: -769.097530 where: bonds (distance) C4'-P energy: -124.455 bonds (distance) P-C4' energy: -149.485 flat angles C4'-P-C4' energy: -156.868 flat angles P-C4'-P energy: -112.420 tors. eta vs tors. theta energy: -225.869 Dist. restrs. and SS energy: 0.000 (S_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: 82 Temperature: 1.000000 Total energy: -2672.607671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.607671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.607671 (E_RNA) where: Base-Base interactions energy: -1911.710 where: short stacking energy: -743.170 Base-Backbone interact. energy: -1.908 local terms energy: -758.989711 where: bonds (distance) C4'-P energy: -115.360 bonds (distance) P-C4' energy: -143.023 flat angles C4'-P-C4' energy: -162.298 flat angles P-C4'-P energy: -115.267 tors. eta vs tors. theta energy: -223.042 Dist. restrs. and SS energy: 0.000 (S_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: 82 Temperature: 1.050000 Total energy: -2599.754047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.754047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.754047 (E_RNA) where: Base-Base interactions energy: -1871.087 where: short stacking energy: -758.114 Base-Backbone interact. energy: -2.877 local terms energy: -725.789463 where: bonds (distance) C4'-P energy: -112.064 bonds (distance) P-C4' energy: -135.219 flat angles C4'-P-C4' energy: -157.492 flat angles P-C4'-P energy: -104.395 tors. eta vs tors. theta energy: -216.619 Dist. restrs. and SS energy: 0.000 (S_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: 82 Temperature: 1.100000 Total energy: -2584.860771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.860771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.860771 (E_RNA) where: Base-Base interactions energy: -1850.865 where: short stacking energy: -732.616 Base-Backbone interact. energy: -0.108 local terms energy: -733.887398 where: bonds (distance) C4'-P energy: -112.425 bonds (distance) P-C4' energy: -147.942 flat angles C4'-P-C4' energy: -159.724 flat angles P-C4'-P energy: -98.080 tors. eta vs tors. theta energy: -215.718 Dist. restrs. and SS energy: 0.000 (S_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: 82 Temperature: 1.150000 Total energy: -2504.076409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.076409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.076409 (E_RNA) where: Base-Base interactions energy: -1782.310 where: short stacking energy: -721.105 Base-Backbone interact. energy: -2.065 local terms energy: -719.702192 where: bonds (distance) C4'-P energy: -112.242 bonds (distance) P-C4' energy: -144.658 flat angles C4'-P-C4' energy: -150.388 flat angles P-C4'-P energy: -92.748 tors. eta vs tors. theta energy: -219.666 Dist. restrs. and SS energy: 0.000 (S_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: 82 Temperature: 1.200000 Total energy: -2475.804806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.804806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.804806 (E_RNA) where: Base-Base interactions energy: -1764.787 where: short stacking energy: -704.442 Base-Backbone interact. energy: -0.792 local terms energy: -710.225538 where: bonds (distance) C4'-P energy: -105.871 bonds (distance) P-C4' energy: -143.967 flat angles C4'-P-C4' energy: -137.947 flat angles P-C4'-P energy: -110.332 tors. eta vs tors. theta energy: -212.109 Dist. restrs. and SS energy: 0.000 (S_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: -2396.634778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.634778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.634778 (E_RNA) where: Base-Base interactions energy: -1712.637 where: short stacking energy: -676.363 Base-Backbone interact. energy: -1.930 local terms energy: -682.067388 where: bonds (distance) C4'-P energy: -94.519 bonds (distance) P-C4' energy: -128.934 flat angles C4'-P-C4' energy: -151.562 flat angles P-C4'-P energy: -99.823 tors. eta vs tors. theta energy: -207.230 Dist. restrs. and SS energy: 0.000 (S_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: -2140.109049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.109049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.109049 (E_RNA) where: Base-Base interactions energy: -1485.220 where: short stacking energy: -618.565 Base-Backbone interact. energy: -1.353 local terms energy: -653.536523 where: bonds (distance) C4'-P energy: -93.191 bonds (distance) P-C4' energy: -136.758 flat angles C4'-P-C4' energy: -148.601 flat angles P-C4'-P energy: -99.019 tors. eta vs tors. theta energy: -175.967 Dist. restrs. and SS energy: 0.000 (S_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: 82 Temperature: 1.350000 Total energy: -2157.898502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.898502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.898502 (E_RNA) where: Base-Base interactions energy: -1497.078 where: short stacking energy: -619.430 Base-Backbone interact. energy: 2.427 local terms energy: -663.246953 where: bonds (distance) C4'-P energy: -116.309 bonds (distance) P-C4' energy: -132.946 flat angles C4'-P-C4' energy: -140.061 flat angles P-C4'-P energy: -99.116 tors. eta vs tors. theta energy: -174.815 Dist. restrs. and SS energy: 0.000 (S_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: 83 Temperature: 0.900000 Total energy: -2728.470249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.470249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.470249 (E_RNA) where: Base-Base interactions energy: -1955.211 where: short stacking energy: -763.629 Base-Backbone interact. energy: -0.830 local terms energy: -772.429374 where: bonds (distance) C4'-P energy: -127.724 bonds (distance) P-C4' energy: -147.010 flat angles C4'-P-C4' energy: -162.256 flat angles P-C4'-P energy: -114.475 tors. eta vs tors. theta energy: -220.964 Dist. restrs. and SS energy: 0.000 (S_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: 83 Temperature: 0.950000 Total energy: -2687.868013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.868013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.868013 (E_RNA) where: Base-Base interactions energy: -1935.894 where: short stacking energy: -755.087 Base-Backbone interact. energy: -3.108 local terms energy: -748.865576 where: bonds (distance) C4'-P energy: -116.311 bonds (distance) P-C4' energy: -139.558 flat angles C4'-P-C4' energy: -155.889 flat angles P-C4'-P energy: -114.757 tors. eta vs tors. theta energy: -222.350 Dist. restrs. and SS energy: 0.000 (S_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: 83 Temperature: 1.000000 Total energy: -2661.375274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.375274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.375274 (E_RNA) where: Base-Base interactions energy: -1921.218 where: short stacking energy: -761.251 Base-Backbone interact. energy: -3.334 local terms energy: -736.822406 where: bonds (distance) C4'-P energy: -106.828 bonds (distance) P-C4' energy: -143.686 flat angles C4'-P-C4' energy: -155.270 flat angles P-C4'-P energy: -103.815 tors. eta vs tors. theta energy: -227.223 Dist. restrs. and SS energy: 0.000 (S_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: 83 Temperature: 1.050000 Total energy: -2594.343300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.343300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.343300 (E_RNA) where: Base-Base interactions energy: -1849.167 where: short stacking energy: -736.957 Base-Backbone interact. energy: -0.279 local terms energy: -744.897088 where: bonds (distance) C4'-P energy: -111.864 bonds (distance) P-C4' energy: -152.446 flat angles C4'-P-C4' energy: -157.341 flat angles P-C4'-P energy: -100.214 tors. eta vs tors. theta energy: -223.032 Dist. restrs. and SS energy: 0.000 (S_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: 83 Temperature: 1.100000 Total energy: -2567.613546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.613546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.613546 (E_RNA) where: Base-Base interactions energy: -1830.106 where: short stacking energy: -734.259 Base-Backbone interact. energy: -0.874 local terms energy: -736.633076 where: bonds (distance) C4'-P energy: -120.331 bonds (distance) P-C4' energy: -146.263 flat angles C4'-P-C4' energy: -147.898 flat angles P-C4'-P energy: -100.984 tors. eta vs tors. theta energy: -221.157 Dist. restrs. and SS energy: 0.000 (S_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: 83 Temperature: 1.150000 Total energy: -2495.038454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.038454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.038454 (E_RNA) where: Base-Base interactions energy: -1773.443 where: short stacking energy: -712.222 Base-Backbone interact. energy: -0.896 local terms energy: -720.699348 where: bonds (distance) C4'-P energy: -106.455 bonds (distance) P-C4' energy: -144.733 flat angles C4'-P-C4' energy: -150.193 flat angles P-C4'-P energy: -102.872 tors. eta vs tors. theta energy: -216.446 Dist. restrs. and SS energy: 0.000 (S_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: 83 Temperature: 1.200000 Total energy: -2469.668459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.668459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.668459 (E_RNA) where: Base-Base interactions energy: -1743.576 where: short stacking energy: -711.240 Base-Backbone interact. energy: -2.231 local terms energy: -723.862104 where: bonds (distance) C4'-P energy: -111.715 bonds (distance) P-C4' energy: -155.659 flat angles C4'-P-C4' energy: -146.715 flat angles P-C4'-P energy: -95.394 tors. eta vs tors. theta energy: -214.380 Dist. restrs. and SS energy: 0.000 (S_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: 83 Temperature: 1.250000 Total energy: -2386.338554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.338554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.338554 (E_RNA) where: Base-Base interactions energy: -1703.946 where: short stacking energy: -693.589 Base-Backbone interact. energy: -2.389 local terms energy: -680.004323 where: bonds (distance) C4'-P energy: -98.513 bonds (distance) P-C4' energy: -134.899 flat angles C4'-P-C4' energy: -152.235 flat angles P-C4'-P energy: -89.415 tors. eta vs tors. theta energy: -204.943 Dist. restrs. and SS energy: 0.000 (S_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: 83 Temperature: 1.300000 Total energy: -2148.621098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.621098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.621098 (E_RNA) where: Base-Base interactions energy: -1490.386 where: short stacking energy: -611.149 Base-Backbone interact. energy: -0.458 local terms energy: -657.776791 where: bonds (distance) C4'-P energy: -105.479 bonds (distance) P-C4' energy: -148.206 flat angles C4'-P-C4' energy: -137.764 flat angles P-C4'-P energy: -92.048 tors. eta vs tors. theta energy: -174.280 Dist. restrs. and SS energy: 0.000 (S_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: 83 Temperature: 1.350000 Total energy: -2163.885503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.885503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.885503 (E_RNA) where: Base-Base interactions energy: -1517.354 where: short stacking energy: -620.013 Base-Backbone interact. energy: 1.160 local terms energy: -647.691271 where: bonds (distance) C4'-P energy: -91.377 bonds (distance) P-C4' energy: -138.366 flat angles C4'-P-C4' energy: -136.983 flat angles P-C4'-P energy: -101.123 tors. eta vs tors. theta energy: -179.842 Dist. restrs. and SS energy: 0.000 (S_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: 84 Temperature: 0.900000 Total energy: -2707.988611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.988611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.988611 (E_RNA) where: Base-Base interactions energy: -1930.565 where: short stacking energy: -763.831 Base-Backbone interact. energy: -0.207 local terms energy: -777.216855 where: bonds (distance) C4'-P energy: -128.874 bonds (distance) P-C4' energy: -158.790 flat angles C4'-P-C4' energy: -161.222 flat angles P-C4'-P energy: -101.962 tors. eta vs tors. theta energy: -226.369 Dist. restrs. and SS energy: 0.000 (S_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: -2693.857813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.857813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.857813 (E_RNA) where: Base-Base interactions energy: -1931.388 where: short stacking energy: -754.803 Base-Backbone interact. energy: -0.970 local terms energy: -761.500190 where: bonds (distance) C4'-P energy: -101.558 bonds (distance) P-C4' energy: -159.390 flat angles C4'-P-C4' energy: -160.649 flat angles P-C4'-P energy: -115.575 tors. eta vs tors. theta energy: -224.328 Dist. restrs. and SS energy: 0.000 (S_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: 84 Temperature: 1.000000 Total energy: -2667.566574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.566574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.566574 (E_RNA) where: Base-Base interactions energy: -1907.277 where: short stacking energy: -756.542 Base-Backbone interact. energy: -0.200 local terms energy: -760.088842 where: bonds (distance) C4'-P energy: -111.378 bonds (distance) P-C4' energy: -149.814 flat angles C4'-P-C4' energy: -162.585 flat angles P-C4'-P energy: -111.894 tors. eta vs tors. theta energy: -224.417 Dist. restrs. and SS energy: 0.000 (S_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: -2612.510099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.510099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.510099 (E_RNA) where: Base-Base interactions energy: -1870.051 where: short stacking energy: -740.112 Base-Backbone interact. energy: -1.800 local terms energy: -740.658642 where: bonds (distance) C4'-P energy: -115.324 bonds (distance) P-C4' energy: -148.072 flat angles C4'-P-C4' energy: -150.843 flat angles P-C4'-P energy: -101.204 tors. eta vs tors. theta energy: -225.215 Dist. restrs. and SS energy: 0.000 (S_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: 84 Temperature: 1.100000 Total energy: -2577.311398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.311398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.311398 (E_RNA) where: Base-Base interactions energy: -1833.286 where: short stacking energy: -712.706 Base-Backbone interact. energy: -2.984 local terms energy: -741.040708 where: bonds (distance) C4'-P energy: -120.543 bonds (distance) P-C4' energy: -152.677 flat angles C4'-P-C4' energy: -146.449 flat angles P-C4'-P energy: -106.355 tors. eta vs tors. theta energy: -215.017 Dist. restrs. and SS energy: 0.000 (S_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: 84 Temperature: 1.150000 Total energy: -2495.829469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.829469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.829469 (E_RNA) where: Base-Base interactions energy: -1753.536 where: short stacking energy: -711.574 Base-Backbone interact. energy: 1.006 local terms energy: -743.299377 where: bonds (distance) C4'-P energy: -110.845 bonds (distance) P-C4' energy: -156.273 flat angles C4'-P-C4' energy: -156.919 flat angles P-C4'-P energy: -110.389 tors. eta vs tors. theta energy: -208.874 Dist. restrs. and SS energy: 0.000 (S_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: 84 Temperature: 1.200000 Total energy: -2465.801696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.801696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.801696 (E_RNA) where: Base-Base interactions energy: -1745.517 where: short stacking energy: -708.211 Base-Backbone interact. energy: -2.467 local terms energy: -717.818006 where: bonds (distance) C4'-P energy: -123.381 bonds (distance) P-C4' energy: -132.475 flat angles C4'-P-C4' energy: -152.278 flat angles P-C4'-P energy: -95.479 tors. eta vs tors. theta energy: -214.205 Dist. restrs. and SS energy: 0.000 (S_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: 84 Temperature: 1.250000 Total energy: -2421.860572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.860572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.860572 (E_RNA) where: Base-Base interactions energy: -1716.093 where: short stacking energy: -703.809 Base-Backbone interact. energy: -1.804 local terms energy: -703.963581 where: bonds (distance) C4'-P energy: -114.022 bonds (distance) P-C4' energy: -136.550 flat angles C4'-P-C4' energy: -144.298 flat angles P-C4'-P energy: -100.755 tors. eta vs tors. theta energy: -208.339 Dist. restrs. and SS energy: 0.000 (S_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: 84 Temperature: 1.300000 Total energy: -2227.085976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.085976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.085976 (E_RNA) where: Base-Base interactions energy: -1577.126 where: short stacking energy: -636.674 Base-Backbone interact. energy: -1.003 local terms energy: -648.957232 where: bonds (distance) C4'-P energy: -95.469 bonds (distance) P-C4' energy: -141.123 flat angles C4'-P-C4' energy: -133.501 flat angles P-C4'-P energy: -92.789 tors. eta vs tors. theta energy: -186.075 Dist. restrs. and SS energy: 0.000 (S_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: 84 Temperature: 1.350000 Total energy: -2082.977085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.977085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.977085 (E_RNA) where: Base-Base interactions energy: -1431.723 where: short stacking energy: -576.235 Base-Backbone interact. energy: 0.584 local terms energy: -651.838655 where: bonds (distance) C4'-P energy: -101.588 bonds (distance) P-C4' energy: -140.564 flat angles C4'-P-C4' energy: -133.115 flat angles P-C4'-P energy: -101.732 tors. eta vs tors. theta energy: -174.840 Dist. restrs. and SS energy: 0.000 (S_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: 85 Temperature: 0.900000 Total energy: -2718.361949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.361949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.361949 (E_RNA) where: Base-Base interactions energy: -1934.774 where: short stacking energy: -764.733 Base-Backbone interact. energy: -4.936 local terms energy: -778.651197 where: bonds (distance) C4'-P energy: -120.262 bonds (distance) P-C4' energy: -157.551 flat angles C4'-P-C4' energy: -166.233 flat angles P-C4'-P energy: -114.097 tors. eta vs tors. theta energy: -220.509 Dist. restrs. and SS energy: 0.000 (S_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: 85 Temperature: 0.950000 Total energy: -2680.343876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.343876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.343876 (E_RNA) where: Base-Base interactions energy: -1921.379 where: short stacking energy: -755.818 Base-Backbone interact. energy: -0.336 local terms energy: -758.628173 where: bonds (distance) C4'-P energy: -126.668 bonds (distance) P-C4' energy: -139.538 flat angles C4'-P-C4' energy: -159.978 flat angles P-C4'-P energy: -109.022 tors. eta vs tors. theta energy: -223.422 Dist. restrs. and SS energy: 0.000 (S_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: 85 Temperature: 1.000000 Total energy: -2635.531866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.531866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.531866 (E_RNA) where: Base-Base interactions energy: -1880.929 where: short stacking energy: -762.418 Base-Backbone interact. energy: -0.106 local terms energy: -754.496634 where: bonds (distance) C4'-P energy: -112.953 bonds (distance) P-C4' energy: -144.184 flat angles C4'-P-C4' energy: -162.269 flat angles P-C4'-P energy: -109.885 tors. eta vs tors. theta energy: -225.206 Dist. restrs. and SS energy: 0.000 (S_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: 85 Temperature: 1.050000 Total energy: -2589.041245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.041245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.041245 (E_RNA) where: Base-Base interactions energy: -1846.822 where: short stacking energy: -733.128 Base-Backbone interact. energy: -2.087 local terms energy: -740.131423 where: bonds (distance) C4'-P energy: -112.663 bonds (distance) P-C4' energy: -147.595 flat angles C4'-P-C4' energy: -152.867 flat angles P-C4'-P energy: -106.795 tors. eta vs tors. theta energy: -220.211 Dist. restrs. and SS energy: 0.000 (S_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: 85 Temperature: 1.100000 Total energy: -2574.859635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.859635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.859635 (E_RNA) where: Base-Base interactions energy: -1835.894 where: short stacking energy: -730.720 Base-Backbone interact. energy: -2.306 local terms energy: -736.659537 where: bonds (distance) C4'-P energy: -116.132 bonds (distance) P-C4' energy: -144.557 flat angles C4'-P-C4' energy: -151.765 flat angles P-C4'-P energy: -102.469 tors. eta vs tors. theta energy: -221.737 Dist. restrs. and SS energy: 0.000 (S_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: 85 Temperature: 1.150000 Total energy: -2518.981309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.981309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.981309 (E_RNA) where: Base-Base interactions energy: -1797.226 where: short stacking energy: -715.720 Base-Backbone interact. energy: -1.538 local terms energy: -720.217555 where: bonds (distance) C4'-P energy: -123.912 bonds (distance) P-C4' energy: -137.553 flat angles C4'-P-C4' energy: -147.044 flat angles P-C4'-P energy: -100.770 tors. eta vs tors. theta energy: -210.940 Dist. restrs. and SS energy: 0.000 (S_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: 85 Temperature: 1.200000 Total energy: -2480.537799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.537799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.537799 (E_RNA) where: Base-Base interactions energy: -1758.159 where: short stacking energy: -694.758 Base-Backbone interact. energy: 0.069 local terms energy: -722.447194 where: bonds (distance) C4'-P energy: -101.357 bonds (distance) P-C4' energy: -145.136 flat angles C4'-P-C4' energy: -155.073 flat angles P-C4'-P energy: -108.903 tors. eta vs tors. theta energy: -211.978 Dist. restrs. and SS energy: 0.000 (S_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: 85 Temperature: 1.250000 Total energy: -2387.285549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.285549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.285549 (E_RNA) where: Base-Base interactions energy: -1703.788 where: short stacking energy: -685.435 Base-Backbone interact. energy: -2.420 local terms energy: -681.077484 where: bonds (distance) C4'-P energy: -88.826 bonds (distance) P-C4' energy: -150.253 flat angles C4'-P-C4' energy: -146.519 flat angles P-C4'-P energy: -93.324 tors. eta vs tors. theta energy: -202.155 Dist. restrs. and SS energy: 0.000 (S_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: -2265.540463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.540463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.540463 (E_RNA) where: Base-Base interactions energy: -1568.320 where: short stacking energy: -635.764 Base-Backbone interact. energy: -1.227 local terms energy: -695.993180 where: bonds (distance) C4'-P energy: -110.872 bonds (distance) P-C4' energy: -136.048 flat angles C4'-P-C4' energy: -155.789 flat angles P-C4'-P energy: -100.964 tors. eta vs tors. theta energy: -192.320 Dist. restrs. and SS energy: 0.000 (S_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: 85 Temperature: 1.350000 Total energy: -2062.486937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.486937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.486937 (E_RNA) where: Base-Base interactions energy: -1409.101 where: short stacking energy: -578.681 Base-Backbone interact. energy: -1.821 local terms energy: -651.565640 where: bonds (distance) C4'-P energy: -114.076 bonds (distance) P-C4' energy: -135.307 flat angles C4'-P-C4' energy: -132.486 flat angles P-C4'-P energy: -95.938 tors. eta vs tors. theta energy: -173.759 Dist. restrs. and SS energy: 0.000 (S_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: 86 Temperature: 0.900000 Total energy: -2704.993466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.993466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.993466 (E_RNA) where: Base-Base interactions energy: -1945.578 where: short stacking energy: -753.953 Base-Backbone interact. energy: 0.952 local terms energy: -760.367103 where: bonds (distance) C4'-P energy: -120.017 bonds (distance) P-C4' energy: -158.090 flat angles C4'-P-C4' energy: -159.749 flat angles P-C4'-P energy: -98.252 tors. eta vs tors. theta energy: -224.259 Dist. restrs. and SS energy: 0.000 (S_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: 86 Temperature: 0.950000 Total energy: -2694.187656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.187656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.187656 (E_RNA) where: Base-Base interactions energy: -1920.038 where: short stacking energy: -767.266 Base-Backbone interact. energy: -2.048 local terms energy: -772.102162 where: bonds (distance) C4'-P energy: -121.288 bonds (distance) P-C4' energy: -158.508 flat angles C4'-P-C4' energy: -155.124 flat angles P-C4'-P energy: -115.426 tors. eta vs tors. theta energy: -221.757 Dist. restrs. and SS energy: 0.000 (S_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: 86 Temperature: 1.000000 Total energy: -2624.484274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.484274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.484274 (E_RNA) where: Base-Base interactions energy: -1866.612 where: short stacking energy: -732.184 Base-Backbone interact. energy: -1.370 local terms energy: -756.502645 where: bonds (distance) C4'-P energy: -119.224 bonds (distance) P-C4' energy: -152.068 flat angles C4'-P-C4' energy: -158.843 flat angles P-C4'-P energy: -100.607 tors. eta vs tors. theta energy: -225.761 Dist. restrs. and SS energy: 0.000 (S_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: 86 Temperature: 1.050000 Total energy: -2615.786053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.786053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.786053 (E_RNA) where: Base-Base interactions energy: -1867.678 where: short stacking energy: -724.284 Base-Backbone interact. energy: -5.381 local terms energy: -742.727916 where: bonds (distance) C4'-P energy: -121.188 bonds (distance) P-C4' energy: -137.622 flat angles C4'-P-C4' energy: -162.394 flat angles P-C4'-P energy: -103.979 tors. eta vs tors. theta energy: -217.545 Dist. restrs. and SS energy: 0.000 (S_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: 86 Temperature: 1.100000 Total energy: -2579.613501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.613501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.613501 (E_RNA) where: Base-Base interactions energy: -1845.497 where: short stacking energy: -727.435 Base-Backbone interact. energy: 0.661 local terms energy: -734.776832 where: bonds (distance) C4'-P energy: -113.351 bonds (distance) P-C4' energy: -141.976 flat angles C4'-P-C4' energy: -157.273 flat angles P-C4'-P energy: -100.650 tors. eta vs tors. theta energy: -221.526 Dist. restrs. and SS energy: 0.000 (S_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: 86 Temperature: 1.150000 Total energy: -2518.979412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.979412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.979412 (E_RNA) where: Base-Base interactions energy: -1788.517 where: short stacking energy: -718.101 Base-Backbone interact. energy: -2.396 local terms energy: -728.065665 where: bonds (distance) C4'-P energy: -108.765 bonds (distance) P-C4' energy: -139.161 flat angles C4'-P-C4' energy: -157.229 flat angles P-C4'-P energy: -103.174 tors. eta vs tors. theta energy: -219.736 Dist. restrs. and SS energy: 0.000 (S_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: 86 Temperature: 1.200000 Total energy: -2477.166167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.166167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.166167 (E_RNA) where: Base-Base interactions energy: -1781.509 where: short stacking energy: -704.283 Base-Backbone interact. energy: -1.805 local terms energy: -693.852022 where: bonds (distance) C4'-P energy: -91.033 bonds (distance) P-C4' energy: -144.642 flat angles C4'-P-C4' energy: -154.388 flat angles P-C4'-P energy: -98.926 tors. eta vs tors. theta energy: -204.863 Dist. restrs. and SS energy: 0.000 (S_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: 86 Temperature: 1.250000 Total energy: -2367.102900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.102900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.102900 (E_RNA) where: Base-Base interactions energy: -1695.302 where: short stacking energy: -667.558 Base-Backbone interact. energy: -1.589 local terms energy: -670.211878 where: bonds (distance) C4'-P energy: -102.439 bonds (distance) P-C4' energy: -127.370 flat angles C4'-P-C4' energy: -150.415 flat angles P-C4'-P energy: -97.027 tors. eta vs tors. theta energy: -192.960 Dist. restrs. and SS energy: 0.000 (S_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: 86 Temperature: 1.300000 Total energy: -2262.671870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.671870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.671870 (E_RNA) where: Base-Base interactions energy: -1570.726 where: short stacking energy: -645.242 Base-Backbone interact. energy: -1.173 local terms energy: -690.773021 where: bonds (distance) C4'-P energy: -103.811 bonds (distance) P-C4' energy: -144.176 flat angles C4'-P-C4' energy: -141.299 flat angles P-C4'-P energy: -102.254 tors. eta vs tors. theta energy: -199.232 Dist. restrs. and SS energy: 0.000 (S_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: 86 Temperature: 1.350000 Total energy: -2051.476794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.476794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.476794 (E_RNA) where: Base-Base interactions energy: -1429.929 where: short stacking energy: -584.987 Base-Backbone interact. energy: -0.684 local terms energy: -620.863627 where: bonds (distance) C4'-P energy: -112.357 bonds (distance) P-C4' energy: -139.031 flat angles C4'-P-C4' energy: -139.719 flat angles P-C4'-P energy: -72.856 tors. eta vs tors. theta energy: -156.900 Dist. restrs. and SS energy: 0.000 (S_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: 87 Temperature: 0.900000 Total energy: -2707.290235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.290235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.290235 (E_RNA) where: Base-Base interactions energy: -1928.562 where: short stacking energy: -763.692 Base-Backbone interact. energy: -1.857 local terms energy: -776.870692 where: bonds (distance) C4'-P energy: -129.125 bonds (distance) P-C4' energy: -154.652 flat angles C4'-P-C4' energy: -156.474 flat angles P-C4'-P energy: -107.755 tors. eta vs tors. theta energy: -228.864 Dist. restrs. and SS energy: 0.000 (S_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: -2697.067848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.067848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.067848 (E_RNA) where: Base-Base interactions energy: -1912.485 where: short stacking energy: -778.243 Base-Backbone interact. energy: -2.828 local terms energy: -781.754418 where: bonds (distance) C4'-P energy: -123.790 bonds (distance) P-C4' energy: -158.709 flat angles C4'-P-C4' energy: -161.116 flat angles P-C4'-P energy: -110.344 tors. eta vs tors. theta energy: -227.795 Dist. restrs. and SS energy: 0.000 (S_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: 87 Temperature: 1.000000 Total energy: -2657.363914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.363914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.363914 (E_RNA) where: Base-Base interactions energy: -1879.267 where: short stacking energy: -744.650 Base-Backbone interact. energy: -2.253 local terms energy: -775.843997 where: bonds (distance) C4'-P energy: -126.322 bonds (distance) P-C4' energy: -148.126 flat angles C4'-P-C4' energy: -166.056 flat angles P-C4'-P energy: -108.440 tors. eta vs tors. theta energy: -226.900 Dist. restrs. and SS energy: 0.000 (S_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: 87 Temperature: 1.050000 Total energy: -2645.980641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.980641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.980641 (E_RNA) where: Base-Base interactions energy: -1884.669 where: short stacking energy: -746.831 Base-Backbone interact. energy: -2.906 local terms energy: -758.405311 where: bonds (distance) C4'-P energy: -120.368 bonds (distance) P-C4' energy: -140.307 flat angles C4'-P-C4' energy: -161.670 flat angles P-C4'-P energy: -109.253 tors. eta vs tors. theta energy: -226.809 Dist. restrs. and SS energy: 0.000 (S_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: 87 Temperature: 1.100000 Total energy: -2554.648395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.648395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.648395 (E_RNA) where: Base-Base interactions energy: -1811.231 where: short stacking energy: -746.385 Base-Backbone interact. energy: -2.741 local terms energy: -740.676348 where: bonds (distance) C4'-P energy: -118.760 bonds (distance) P-C4' energy: -139.972 flat angles C4'-P-C4' energy: -157.654 flat angles P-C4'-P energy: -97.150 tors. eta vs tors. theta energy: -227.140 Dist. restrs. and SS energy: 0.000 (S_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: 87 Temperature: 1.150000 Total energy: -2521.542515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.542515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.542515 (E_RNA) where: Base-Base interactions energy: -1794.910 where: short stacking energy: -728.562 Base-Backbone interact. energy: -1.067 local terms energy: -725.564743 where: bonds (distance) C4'-P energy: -108.354 bonds (distance) P-C4' energy: -151.094 flat angles C4'-P-C4' energy: -153.320 flat angles P-C4'-P energy: -99.697 tors. eta vs tors. theta energy: -213.100 Dist. restrs. and SS energy: 0.000 (S_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: 87 Temperature: 1.200000 Total energy: -2481.839745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.839745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.839745 (E_RNA) where: Base-Base interactions energy: -1762.592 where: short stacking energy: -715.081 Base-Backbone interact. energy: -1.557 local terms energy: -717.691248 where: bonds (distance) C4'-P energy: -100.765 bonds (distance) P-C4' energy: -149.052 flat angles C4'-P-C4' energy: -148.656 flat angles P-C4'-P energy: -109.141 tors. eta vs tors. theta energy: -210.078 Dist. restrs. and SS energy: 0.000 (S_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: -2412.640288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.640288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.640288 (E_RNA) where: Base-Base interactions energy: -1723.419 where: short stacking energy: -700.078 Base-Backbone interact. energy: -1.822 local terms energy: -687.399025 where: bonds (distance) C4'-P energy: -91.460 bonds (distance) P-C4' energy: -140.818 flat angles C4'-P-C4' energy: -153.882 flat angles P-C4'-P energy: -92.769 tors. eta vs tors. theta energy: -208.469 Dist. restrs. and SS energy: 0.000 (S_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: 87 Temperature: 1.300000 Total energy: -2255.056512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.056512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.056512 (E_RNA) where: Base-Base interactions energy: -1599.266 where: short stacking energy: -628.490 Base-Backbone interact. energy: -1.397 local terms energy: -654.394039 where: bonds (distance) C4'-P energy: -111.653 bonds (distance) P-C4' energy: -118.241 flat angles C4'-P-C4' energy: -131.624 flat angles P-C4'-P energy: -108.505 tors. eta vs tors. theta energy: -184.371 Dist. restrs. and SS energy: 0.000 (S_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: 87 Temperature: 1.350000 Total energy: -2112.874647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.874647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.874647 (E_RNA) where: Base-Base interactions energy: -1478.661 where: short stacking energy: -599.622 Base-Backbone interact. energy: -2.853 local terms energy: -631.360793 where: bonds (distance) C4'-P energy: -99.123 bonds (distance) P-C4' energy: -139.886 flat angles C4'-P-C4' energy: -137.579 flat angles P-C4'-P energy: -75.579 tors. eta vs tors. theta energy: -179.194 Dist. restrs. and SS energy: 0.000 (S_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: 88 Temperature: 0.900000 Total energy: -2722.200940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.200940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.200940 (E_RNA) where: Base-Base interactions energy: -1940.514 where: short stacking energy: -766.920 Base-Backbone interact. energy: -1.418 local terms energy: -780.269498 where: bonds (distance) C4'-P energy: -123.515 bonds (distance) P-C4' energy: -155.817 flat angles C4'-P-C4' energy: -158.467 flat angles P-C4'-P energy: -117.720 tors. eta vs tors. theta energy: -224.751 Dist. restrs. and SS energy: 0.000 (S_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: 88 Temperature: 0.950000 Total energy: -2681.499644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.499644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.499644 (E_RNA) where: Base-Base interactions energy: -1919.148 where: short stacking energy: -761.083 Base-Backbone interact. energy: -0.294 local terms energy: -762.056945 where: bonds (distance) C4'-P energy: -112.049 bonds (distance) P-C4' energy: -157.893 flat angles C4'-P-C4' energy: -159.363 flat angles P-C4'-P energy: -108.722 tors. eta vs tors. theta energy: -224.030 Dist. restrs. and SS energy: 0.000 (S_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: 88 Temperature: 1.000000 Total energy: -2670.212062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.212062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.212062 (E_RNA) where: Base-Base interactions energy: -1920.835 where: short stacking energy: -757.527 Base-Backbone interact. energy: -2.656 local terms energy: -746.720548 where: bonds (distance) C4'-P energy: -118.863 bonds (distance) P-C4' energy: -142.207 flat angles C4'-P-C4' energy: -154.927 flat angles P-C4'-P energy: -107.762 tors. eta vs tors. theta energy: -222.962 Dist. restrs. and SS energy: 0.000 (S_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: 88 Temperature: 1.050000 Total energy: -2613.447421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.447421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.447421 (E_RNA) where: Base-Base interactions energy: -1868.184 where: short stacking energy: -746.705 Base-Backbone interact. energy: -2.067 local terms energy: -743.196300 where: bonds (distance) C4'-P energy: -109.868 bonds (distance) P-C4' energy: -156.814 flat angles C4'-P-C4' energy: -151.480 flat angles P-C4'-P energy: -105.112 tors. eta vs tors. theta energy: -219.923 Dist. restrs. and SS energy: 0.000 (S_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: 88 Temperature: 1.100000 Total energy: -2566.699743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.699743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.699743 (E_RNA) where: Base-Base interactions energy: -1813.863 where: short stacking energy: -731.127 Base-Backbone interact. energy: -1.541 local terms energy: -751.296340 where: bonds (distance) C4'-P energy: -114.608 bonds (distance) P-C4' energy: -150.126 flat angles C4'-P-C4' energy: -158.270 flat angles P-C4'-P energy: -107.720 tors. eta vs tors. theta energy: -220.572 Dist. restrs. and SS energy: 0.000 (S_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: 88 Temperature: 1.150000 Total energy: -2526.523641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.523641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.523641 (E_RNA) where: Base-Base interactions energy: -1792.192 where: short stacking energy: -727.343 Base-Backbone interact. energy: -1.744 local terms energy: -732.587903 where: bonds (distance) C4'-P energy: -115.014 bonds (distance) P-C4' energy: -146.000 flat angles C4'-P-C4' energy: -153.818 flat angles P-C4'-P energy: -102.014 tors. eta vs tors. theta energy: -215.742 Dist. restrs. and SS energy: 0.000 (S_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: 88 Temperature: 1.200000 Total energy: -2469.702228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.702228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.702228 (E_RNA) where: Base-Base interactions energy: -1776.450 where: short stacking energy: -716.523 Base-Backbone interact. energy: 2.759 local terms energy: -696.011057 where: bonds (distance) C4'-P energy: -115.063 bonds (distance) P-C4' energy: -128.731 flat angles C4'-P-C4' energy: -145.381 flat angles P-C4'-P energy: -86.543 tors. eta vs tors. theta energy: -220.293 Dist. restrs. and SS energy: 0.000 (S_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: 88 Temperature: 1.250000 Total energy: -2385.546067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.546067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.546067 (E_RNA) where: Base-Base interactions energy: -1702.147 where: short stacking energy: -678.217 Base-Backbone interact. energy: 0.830 local terms energy: -684.228863 where: bonds (distance) C4'-P energy: -105.704 bonds (distance) P-C4' energy: -130.056 flat angles C4'-P-C4' energy: -152.694 flat angles P-C4'-P energy: -93.648 tors. eta vs tors. theta energy: -202.128 Dist. restrs. and SS energy: 0.000 (S_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: -2216.819557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.819557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.819557 (E_RNA) where: Base-Base interactions energy: -1564.243 where: short stacking energy: -637.796 Base-Backbone interact. energy: -2.159 local terms energy: -650.417429 where: bonds (distance) C4'-P energy: -109.653 bonds (distance) P-C4' energy: -132.602 flat angles C4'-P-C4' energy: -144.915 flat angles P-C4'-P energy: -76.245 tors. eta vs tors. theta energy: -187.002 Dist. restrs. and SS energy: 0.000 (S_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: 88 Temperature: 1.350000 Total energy: -2089.641479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.641479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.641479 (E_RNA) where: Base-Base interactions energy: -1469.281 where: short stacking energy: -589.296 Base-Backbone interact. energy: -2.077 local terms energy: -618.283115 where: bonds (distance) C4'-P energy: -90.829 bonds (distance) P-C4' energy: -143.588 flat angles C4'-P-C4' energy: -136.577 flat angles P-C4'-P energy: -84.203 tors. eta vs tors. theta energy: -163.086 Dist. restrs. and SS energy: 0.000 (S_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: 89 Temperature: 0.900000 Total energy: -2710.705232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.705232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.705232 (E_RNA) where: Base-Base interactions energy: -1957.340 where: short stacking energy: -751.073 Base-Backbone interact. energy: -0.866 local terms energy: -752.499345 where: bonds (distance) C4'-P energy: -117.098 bonds (distance) P-C4' energy: -148.371 flat angles C4'-P-C4' energy: -160.769 flat angles P-C4'-P energy: -107.480 tors. eta vs tors. theta energy: -218.781 Dist. restrs. and SS energy: 0.000 (S_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: 89 Temperature: 0.950000 Total energy: -2683.086441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.086441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.086441 (E_RNA) where: Base-Base interactions energy: -1904.348 where: short stacking energy: -744.988 Base-Backbone interact. energy: -1.695 local terms energy: -777.042991 where: bonds (distance) C4'-P energy: -124.621 bonds (distance) P-C4' energy: -152.883 flat angles C4'-P-C4' energy: -159.944 flat angles P-C4'-P energy: -110.894 tors. eta vs tors. theta energy: -228.701 Dist. restrs. and SS energy: 0.000 (S_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: 89 Temperature: 1.000000 Total energy: -2668.859733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.859733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.859733 (E_RNA) where: Base-Base interactions energy: -1890.766 where: short stacking energy: -749.753 Base-Backbone interact. energy: -2.570 local terms energy: -775.523587 where: bonds (distance) C4'-P energy: -122.918 bonds (distance) P-C4' energy: -155.132 flat angles C4'-P-C4' energy: -163.655 flat angles P-C4'-P energy: -111.795 tors. eta vs tors. theta energy: -222.023 Dist. restrs. and SS energy: 0.000 (S_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: 89 Temperature: 1.050000 Total energy: -2595.830082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.830082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.830082 (E_RNA) where: Base-Base interactions energy: -1858.988 where: short stacking energy: -726.925 Base-Backbone interact. energy: -5.484 local terms energy: -731.358028 where: bonds (distance) C4'-P energy: -107.577 bonds (distance) P-C4' energy: -147.347 flat angles C4'-P-C4' energy: -154.761 flat angles P-C4'-P energy: -106.236 tors. eta vs tors. theta energy: -215.437 Dist. restrs. and SS energy: 0.000 (S_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: 89 Temperature: 1.100000 Total energy: -2575.178366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.178366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.178366 (E_RNA) where: Base-Base interactions energy: -1835.651 where: short stacking energy: -722.025 Base-Backbone interact. energy: -1.507 local terms energy: -738.020502 where: bonds (distance) C4'-P energy: -112.833 bonds (distance) P-C4' energy: -140.252 flat angles C4'-P-C4' energy: -155.060 flat angles P-C4'-P energy: -106.048 tors. eta vs tors. theta energy: -223.827 Dist. restrs. and SS energy: 0.000 (S_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: 89 Temperature: 1.150000 Total energy: -2496.339826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.339826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.339826 (E_RNA) where: Base-Base interactions energy: -1777.672 where: short stacking energy: -707.655 Base-Backbone interact. energy: -1.231 local terms energy: -717.436853 where: bonds (distance) C4'-P energy: -98.800 bonds (distance) P-C4' energy: -144.154 flat angles C4'-P-C4' energy: -162.006 flat angles P-C4'-P energy: -102.358 tors. eta vs tors. theta energy: -210.118 Dist. restrs. and SS energy: 0.000 (S_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: 89 Temperature: 1.200000 Total energy: -2452.443279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.443279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.443279 (E_RNA) where: Base-Base interactions energy: -1753.073 where: short stacking energy: -712.399 Base-Backbone interact. energy: -1.231 local terms energy: -698.140173 where: bonds (distance) C4'-P energy: -108.478 bonds (distance) P-C4' energy: -124.458 flat angles C4'-P-C4' energy: -153.770 flat angles P-C4'-P energy: -99.448 tors. eta vs tors. theta energy: -211.987 Dist. restrs. and SS energy: 0.000 (S_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: 89 Temperature: 1.250000 Total energy: -2392.403808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.403808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.403808 (E_RNA) where: Base-Base interactions energy: -1680.306 where: short stacking energy: -680.161 Base-Backbone interact. energy: -2.214 local terms energy: -709.883430 where: bonds (distance) C4'-P energy: -109.935 bonds (distance) P-C4' energy: -134.755 flat angles C4'-P-C4' energy: -160.076 flat angles P-C4'-P energy: -102.405 tors. eta vs tors. theta energy: -202.712 Dist. restrs. and SS energy: 0.000 (S_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: 89 Temperature: 1.300000 Total energy: -2267.983147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.983147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.983147 (E_RNA) where: Base-Base interactions energy: -1575.773 where: short stacking energy: -641.667 Base-Backbone interact. energy: 0.533 local terms energy: -692.743712 where: bonds (distance) C4'-P energy: -100.460 bonds (distance) P-C4' energy: -130.213 flat angles C4'-P-C4' energy: -162.306 flat angles P-C4'-P energy: -107.844 tors. eta vs tors. theta energy: -191.920 Dist. restrs. and SS energy: 0.000 (S_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: 89 Temperature: 1.350000 Total energy: -2043.968751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.968751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.968751 (E_RNA) where: Base-Base interactions energy: -1408.114 where: short stacking energy: -575.070 Base-Backbone interact. energy: 0.648 local terms energy: -636.503215 where: bonds (distance) C4'-P energy: -104.959 bonds (distance) P-C4' energy: -136.486 flat angles C4'-P-C4' energy: -137.474 flat angles P-C4'-P energy: -97.450 tors. eta vs tors. theta energy: -160.135 Dist. restrs. and SS energy: 0.000 (S_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: 90 Temperature: 0.900000 Total energy: -2736.672301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.672301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.672301 (E_RNA) where: Base-Base interactions energy: -1954.922 where: short stacking energy: -762.442 Base-Backbone interact. energy: -3.290 local terms energy: -778.460229 where: bonds (distance) C4'-P energy: -125.507 bonds (distance) P-C4' energy: -149.640 flat angles C4'-P-C4' energy: -159.481 flat angles P-C4'-P energy: -114.374 tors. eta vs tors. theta energy: -229.459 Dist. restrs. and SS energy: 0.000 (S_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: -2686.241632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.241632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.241632 (E_RNA) where: Base-Base interactions energy: -1913.166 where: short stacking energy: -756.884 Base-Backbone interact. energy: -3.468 local terms energy: -769.607813 where: bonds (distance) C4'-P energy: -126.597 bonds (distance) P-C4' energy: -154.116 flat angles C4'-P-C4' energy: -157.402 flat angles P-C4'-P energy: -106.944 tors. eta vs tors. theta energy: -224.549 Dist. restrs. and SS energy: 0.000 (S_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: 90 Temperature: 1.000000 Total energy: -2644.937868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.937868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.937868 (E_RNA) where: Base-Base interactions energy: -1884.886 where: short stacking energy: -751.073 Base-Backbone interact. energy: -1.859 local terms energy: -758.193106 where: bonds (distance) C4'-P energy: -119.012 bonds (distance) P-C4' energy: -145.291 flat angles C4'-P-C4' energy: -157.623 flat angles P-C4'-P energy: -111.921 tors. eta vs tors. theta energy: -224.346 Dist. restrs. and SS energy: 0.000 (S_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: 90 Temperature: 1.050000 Total energy: -2603.131165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.131165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.131165 (E_RNA) where: Base-Base interactions energy: -1838.660 where: short stacking energy: -733.307 Base-Backbone interact. energy: -3.154 local terms energy: -761.316998 where: bonds (distance) C4'-P energy: -119.055 bonds (distance) P-C4' energy: -154.870 flat angles C4'-P-C4' energy: -154.416 flat angles P-C4'-P energy: -107.185 tors. eta vs tors. theta energy: -225.791 Dist. restrs. and SS energy: 0.000 (S_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: 90 Temperature: 1.100000 Total energy: -2537.700907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.700907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.700907 (E_RNA) where: Base-Base interactions energy: -1814.010 where: short stacking energy: -732.558 Base-Backbone interact. energy: 2.054 local terms energy: -725.744623 where: bonds (distance) C4'-P energy: -112.336 bonds (distance) P-C4' energy: -138.385 flat angles C4'-P-C4' energy: -160.873 flat angles P-C4'-P energy: -105.177 tors. eta vs tors. theta energy: -208.973 Dist. restrs. and SS energy: 0.000 (S_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: 90 Temperature: 1.150000 Total energy: -2550.508080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.508080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.508080 (E_RNA) where: Base-Base interactions energy: -1820.952 where: short stacking energy: -720.974 Base-Backbone interact. energy: -0.056 local terms energy: -729.499987 where: bonds (distance) C4'-P energy: -111.922 bonds (distance) P-C4' energy: -147.187 flat angles C4'-P-C4' energy: -151.606 flat angles P-C4'-P energy: -99.519 tors. eta vs tors. theta energy: -219.266 Dist. restrs. and SS energy: 0.000 (S_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: 90 Temperature: 1.200000 Total energy: -2410.653316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.653316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.653316 (E_RNA) where: Base-Base interactions energy: -1698.045 where: short stacking energy: -702.293 Base-Backbone interact. energy: -0.795 local terms energy: -711.812978 where: bonds (distance) C4'-P energy: -121.990 bonds (distance) P-C4' energy: -145.964 flat angles C4'-P-C4' energy: -144.590 flat angles P-C4'-P energy: -88.683 tors. eta vs tors. theta energy: -210.586 Dist. restrs. and SS energy: 0.000 (S_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: 90 Temperature: 1.250000 Total energy: -2270.566178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.566178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.566178 (E_RNA) where: Base-Base interactions energy: -1600.333 where: short stacking energy: -642.271 Base-Backbone interact. energy: -0.192 local terms energy: -670.040806 where: bonds (distance) C4'-P energy: -98.552 bonds (distance) P-C4' energy: -145.781 flat angles C4'-P-C4' energy: -144.944 flat angles P-C4'-P energy: -92.111 tors. eta vs tors. theta energy: -188.654 Dist. restrs. and SS energy: 0.000 (S_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: 90 Temperature: 1.300000 Total energy: -2253.811377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.811377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.811377 (E_RNA) where: Base-Base interactions energy: -1587.714 where: short stacking energy: -645.431 Base-Backbone interact. energy: -2.036 local terms energy: -664.060815 where: bonds (distance) C4'-P energy: -104.050 bonds (distance) P-C4' energy: -131.924 flat angles C4'-P-C4' energy: -149.603 flat angles P-C4'-P energy: -91.697 tors. eta vs tors. theta energy: -186.787 Dist. restrs. and SS energy: 0.000 (S_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: 90 Temperature: 1.350000 Total energy: -2032.164002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.164002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.164002 (E_RNA) where: Base-Base interactions energy: -1387.218 where: short stacking energy: -589.526 Base-Backbone interact. energy: -0.437 local terms energy: -644.509331 where: bonds (distance) C4'-P energy: -102.952 bonds (distance) P-C4' energy: -138.640 flat angles C4'-P-C4' energy: -137.371 flat angles P-C4'-P energy: -93.687 tors. eta vs tors. theta energy: -171.859 Dist. restrs. and SS energy: 0.000 (S_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: 91 Temperature: 0.900000 Total energy: -2698.371094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.371094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.371094 (E_RNA) where: Base-Base interactions energy: -1933.457 where: short stacking energy: -768.651 Base-Backbone interact. energy: -1.168 local terms energy: -763.746458 where: bonds (distance) C4'-P energy: -128.078 bonds (distance) P-C4' energy: -151.418 flat angles C4'-P-C4' energy: -154.342 flat angles P-C4'-P energy: -106.539 tors. eta vs tors. theta energy: -223.369 Dist. restrs. and SS energy: 0.000 (S_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: 91 Temperature: 0.950000 Total energy: -2678.855124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.855124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.855124 (E_RNA) where: Base-Base interactions energy: -1909.484 where: short stacking energy: -760.998 Base-Backbone interact. energy: -2.343 local terms energy: -767.028645 where: bonds (distance) C4'-P energy: -130.133 bonds (distance) P-C4' energy: -144.512 flat angles C4'-P-C4' energy: -153.960 flat angles P-C4'-P energy: -115.110 tors. eta vs tors. theta energy: -223.314 Dist. restrs. and SS energy: 0.000 (S_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: 91 Temperature: 1.000000 Total energy: -2647.717197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.717197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.717197 (E_RNA) where: Base-Base interactions energy: -1872.562 where: short stacking energy: -745.401 Base-Backbone interact. energy: -2.431 local terms energy: -772.724153 where: bonds (distance) C4'-P energy: -117.760 bonds (distance) P-C4' energy: -147.519 flat angles C4'-P-C4' energy: -165.424 flat angles P-C4'-P energy: -117.543 tors. eta vs tors. theta energy: -224.479 Dist. restrs. and SS energy: 0.000 (S_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: 91 Temperature: 1.050000 Total energy: -2587.206263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.206263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.206263 (E_RNA) where: Base-Base interactions energy: -1840.372 where: short stacking energy: -734.687 Base-Backbone interact. energy: -0.878 local terms energy: -745.956261 where: bonds (distance) C4'-P energy: -112.135 bonds (distance) P-C4' energy: -154.371 flat angles C4'-P-C4' energy: -153.614 flat angles P-C4'-P energy: -104.058 tors. eta vs tors. theta energy: -221.779 Dist. restrs. and SS energy: 0.000 (S_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: 91 Temperature: 1.100000 Total energy: -2567.782477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.782477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.782477 (E_RNA) where: Base-Base interactions energy: -1819.088 where: short stacking energy: -737.969 Base-Backbone interact. energy: -1.199 local terms energy: -747.495181 where: bonds (distance) C4'-P energy: -123.869 bonds (distance) P-C4' energy: -143.614 flat angles C4'-P-C4' energy: -156.228 flat angles P-C4'-P energy: -108.773 tors. eta vs tors. theta energy: -215.012 Dist. restrs. and SS energy: 0.000 (S_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: 91 Temperature: 1.150000 Total energy: -2533.173525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.173525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.173525 (E_RNA) where: Base-Base interactions energy: -1817.778 where: short stacking energy: -713.176 Base-Backbone interact. energy: -1.671 local terms energy: -713.724480 where: bonds (distance) C4'-P energy: -106.223 bonds (distance) P-C4' energy: -135.303 flat angles C4'-P-C4' energy: -148.394 flat angles P-C4'-P energy: -106.676 tors. eta vs tors. theta energy: -217.129 Dist. restrs. and SS energy: 0.000 (S_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: 91 Temperature: 1.200000 Total energy: -2450.739520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.739520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.739520 (E_RNA) where: Base-Base interactions energy: -1753.820 where: short stacking energy: -712.335 Base-Backbone interact. energy: -1.510 local terms energy: -695.409659 where: bonds (distance) C4'-P energy: -103.096 bonds (distance) P-C4' energy: -131.639 flat angles C4'-P-C4' energy: -150.472 flat angles P-C4'-P energy: -95.389 tors. eta vs tors. theta energy: -214.814 Dist. restrs. and SS energy: 0.000 (S_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: 91 Temperature: 1.250000 Total energy: -2305.404046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.404046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.404046 (E_RNA) where: Base-Base interactions energy: -1596.162 where: short stacking energy: -646.050 Base-Backbone interact. energy: -1.052 local terms energy: -708.190363 where: bonds (distance) C4'-P energy: -115.327 bonds (distance) P-C4' energy: -148.419 flat angles C4'-P-C4' energy: -152.489 flat angles P-C4'-P energy: -104.433 tors. eta vs tors. theta energy: -187.522 Dist. restrs. and SS energy: 0.000 (S_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: 91 Temperature: 1.300000 Total energy: -2281.642241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.642241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.642241 (E_RNA) where: Base-Base interactions energy: -1605.855 where: short stacking energy: -657.408 Base-Backbone interact. energy: -1.349 local terms energy: -674.437854 where: bonds (distance) C4'-P energy: -104.145 bonds (distance) P-C4' energy: -140.837 flat angles C4'-P-C4' energy: -145.580 flat angles P-C4'-P energy: -100.523 tors. eta vs tors. theta energy: -183.353 Dist. restrs. and SS energy: 0.000 (S_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: 91 Temperature: 1.350000 Total energy: -2048.310956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.310956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.310956 (E_RNA) where: Base-Base interactions energy: -1432.015 where: short stacking energy: -601.102 Base-Backbone interact. energy: 0.225 local terms energy: -616.521850 where: bonds (distance) C4'-P energy: -104.679 bonds (distance) P-C4' energy: -139.294 flat angles C4'-P-C4' energy: -130.869 flat angles P-C4'-P energy: -81.687 tors. eta vs tors. theta energy: -159.994 Dist. restrs. and SS energy: 0.000 (S_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: 92 Temperature: 0.900000 Total energy: -2696.900615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.900615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.900615 (E_RNA) where: Base-Base interactions energy: -1936.005 where: short stacking energy: -770.830 Base-Backbone interact. energy: -0.121 local terms energy: -760.774731 where: bonds (distance) C4'-P energy: -120.864 bonds (distance) P-C4' energy: -150.950 flat angles C4'-P-C4' energy: -154.941 flat angles P-C4'-P energy: -107.134 tors. eta vs tors. theta energy: -226.886 Dist. restrs. and SS energy: 0.000 (S_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: 92 Temperature: 0.950000 Total energy: -2686.668475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.668475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.668475 (E_RNA) where: Base-Base interactions energy: -1914.626 where: short stacking energy: -745.440 Base-Backbone interact. energy: 0.911 local terms energy: -772.953232 where: bonds (distance) C4'-P energy: -125.389 bonds (distance) P-C4' energy: -150.905 flat angles C4'-P-C4' energy: -162.319 flat angles P-C4'-P energy: -111.636 tors. eta vs tors. theta energy: -222.703 Dist. restrs. and SS energy: 0.000 (S_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: 92 Temperature: 1.000000 Total energy: -2629.175295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.175295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.175295 (E_RNA) where: Base-Base interactions energy: -1875.712 where: short stacking energy: -739.576 Base-Backbone interact. energy: -1.448 local terms energy: -752.015363 where: bonds (distance) C4'-P energy: -113.815 bonds (distance) P-C4' energy: -148.796 flat angles C4'-P-C4' energy: -156.035 flat angles P-C4'-P energy: -110.968 tors. eta vs tors. theta energy: -222.401 Dist. restrs. and SS energy: 0.000 (S_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: 92 Temperature: 1.050000 Total energy: -2603.161725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.161725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.161725 (E_RNA) where: Base-Base interactions energy: -1862.295 where: short stacking energy: -742.921 Base-Backbone interact. energy: -1.145 local terms energy: -739.722183 where: bonds (distance) C4'-P energy: -118.406 bonds (distance) P-C4' energy: -137.551 flat angles C4'-P-C4' energy: -161.709 flat angles P-C4'-P energy: -107.018 tors. eta vs tors. theta energy: -215.038 Dist. restrs. and SS energy: 0.000 (S_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: 92 Temperature: 1.100000 Total energy: -2557.780738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.780738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.780738 (E_RNA) where: Base-Base interactions energy: -1829.075 where: short stacking energy: -749.365 Base-Backbone interact. energy: 1.408 local terms energy: -730.113731 where: bonds (distance) C4'-P energy: -111.735 bonds (distance) P-C4' energy: -143.404 flat angles C4'-P-C4' energy: -148.960 flat angles P-C4'-P energy: -101.911 tors. eta vs tors. theta energy: -224.104 Dist. restrs. and SS energy: 0.000 (S_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: -2556.700786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.700786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.700786 (E_RNA) where: Base-Base interactions energy: -1837.789 where: short stacking energy: -739.637 Base-Backbone interact. energy: -3.190 local terms energy: -715.721925 where: bonds (distance) C4'-P energy: -98.627 bonds (distance) P-C4' energy: -142.485 flat angles C4'-P-C4' energy: -149.732 flat angles P-C4'-P energy: -104.907 tors. eta vs tors. theta energy: -219.971 Dist. restrs. and SS energy: 0.000 (S_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: 92 Temperature: 1.200000 Total energy: -2461.588091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.588091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.588091 (E_RNA) where: Base-Base interactions energy: -1744.193 where: short stacking energy: -710.340 Base-Backbone interact. energy: -0.119 local terms energy: -717.276277 where: bonds (distance) C4'-P energy: -117.253 bonds (distance) P-C4' energy: -132.769 flat angles C4'-P-C4' energy: -151.473 flat angles P-C4'-P energy: -100.819 tors. eta vs tors. theta energy: -214.962 Dist. restrs. and SS energy: 0.000 (S_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: 92 Temperature: 1.250000 Total energy: -2240.150847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.150847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.150847 (E_RNA) where: Base-Base interactions energy: -1589.622 where: short stacking energy: -629.588 Base-Backbone interact. energy: -2.129 local terms energy: -648.400380 where: bonds (distance) C4'-P energy: -101.555 bonds (distance) P-C4' energy: -125.467 flat angles C4'-P-C4' energy: -147.500 flat angles P-C4'-P energy: -91.378 tors. eta vs tors. theta energy: -182.501 Dist. restrs. and SS energy: 0.000 (S_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: 92 Temperature: 1.300000 Total energy: -2274.953739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.953739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.953739 (E_RNA) where: Base-Base interactions energy: -1606.537 where: short stacking energy: -652.545 Base-Backbone interact. energy: -1.049 local terms energy: -667.368387 where: bonds (distance) C4'-P energy: -104.749 bonds (distance) P-C4' energy: -144.646 flat angles C4'-P-C4' energy: -129.444 flat angles P-C4'-P energy: -96.097 tors. eta vs tors. theta energy: -192.432 Dist. restrs. and SS energy: 0.000 (S_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: 92 Temperature: 1.350000 Total energy: -2112.419919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.419919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.419919 (E_RNA) where: Base-Base interactions energy: -1486.031 where: short stacking energy: -596.163 Base-Backbone interact. energy: -0.415 local terms energy: -625.974141 where: bonds (distance) C4'-P energy: -101.830 bonds (distance) P-C4' energy: -135.289 flat angles C4'-P-C4' energy: -140.197 flat angles P-C4'-P energy: -77.164 tors. eta vs tors. theta energy: -171.495 Dist. restrs. and SS energy: 0.000 (S_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: 93 Temperature: 0.900000 Total energy: -2693.707952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.707952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.707952 (E_RNA) where: Base-Base interactions energy: -1925.665 where: short stacking energy: -774.077 Base-Backbone interact. energy: -3.829 local terms energy: -764.213887 where: bonds (distance) C4'-P energy: -115.579 bonds (distance) P-C4' energy: -150.557 flat angles C4'-P-C4' energy: -161.281 flat angles P-C4'-P energy: -112.315 tors. eta vs tors. theta energy: -224.481 Dist. restrs. and SS energy: 0.000 (S_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: 93 Temperature: 0.950000 Total energy: -2690.727342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.727342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.727342 (E_RNA) where: Base-Base interactions energy: -1933.952 where: short stacking energy: -763.361 Base-Backbone interact. energy: -3.323 local terms energy: -753.452526 where: bonds (distance) C4'-P energy: -113.075 bonds (distance) P-C4' energy: -151.497 flat angles C4'-P-C4' energy: -161.503 flat angles P-C4'-P energy: -103.828 tors. eta vs tors. theta energy: -223.550 Dist. restrs. and SS energy: 0.000 (S_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: 93 Temperature: 1.000000 Total energy: -2644.462241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.462241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.462241 (E_RNA) where: Base-Base interactions energy: -1894.364 where: short stacking energy: -746.634 Base-Backbone interact. energy: -2.607 local terms energy: -747.491928 where: bonds (distance) C4'-P energy: -114.667 bonds (distance) P-C4' energy: -138.292 flat angles C4'-P-C4' energy: -165.925 flat angles P-C4'-P energy: -101.598 tors. eta vs tors. theta energy: -227.009 Dist. restrs. and SS energy: 0.000 (S_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: 93 Temperature: 1.050000 Total energy: -2598.334558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.334558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.334558 (E_RNA) where: Base-Base interactions energy: -1853.602 where: short stacking energy: -761.882 Base-Backbone interact. energy: -1.553 local terms energy: -743.179786 where: bonds (distance) C4'-P energy: -106.428 bonds (distance) P-C4' energy: -143.186 flat angles C4'-P-C4' energy: -154.682 flat angles P-C4'-P energy: -115.230 tors. eta vs tors. theta energy: -223.653 Dist. restrs. and SS energy: 0.000 (S_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: 93 Temperature: 1.100000 Total energy: -2584.216635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.216635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.216635 (E_RNA) where: Base-Base interactions energy: -1835.605 where: short stacking energy: -720.835 Base-Backbone interact. energy: -2.226 local terms energy: -746.385019 where: bonds (distance) C4'-P energy: -118.440 bonds (distance) P-C4' energy: -145.018 flat angles C4'-P-C4' energy: -162.746 flat angles P-C4'-P energy: -105.217 tors. eta vs tors. theta energy: -214.964 Dist. restrs. and SS energy: 0.000 (S_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: 93 Temperature: 1.150000 Total energy: -2560.166657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.166657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.166657 (E_RNA) where: Base-Base interactions energy: -1822.224 where: short stacking energy: -712.990 Base-Backbone interact. energy: -0.918 local terms energy: -737.024451 where: bonds (distance) C4'-P energy: -110.575 bonds (distance) P-C4' energy: -138.235 flat angles C4'-P-C4' energy: -154.800 flat angles P-C4'-P energy: -111.372 tors. eta vs tors. theta energy: -222.042 Dist. restrs. and SS energy: 0.000 (S_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: 93 Temperature: 1.200000 Total energy: -2425.530216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.530216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.530216 (E_RNA) where: Base-Base interactions energy: -1740.101 where: short stacking energy: -687.216 Base-Backbone interact. energy: -2.574 local terms energy: -682.854882 where: bonds (distance) C4'-P energy: -101.548 bonds (distance) P-C4' energy: -129.063 flat angles C4'-P-C4' energy: -138.385 flat angles P-C4'-P energy: -108.975 tors. eta vs tors. theta energy: -204.884 Dist. restrs. and SS energy: 0.000 (S_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: 93 Temperature: 1.250000 Total energy: -2284.216929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.216929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.216929 (E_RNA) where: Base-Base interactions energy: -1607.504 where: short stacking energy: -673.230 Base-Backbone interact. energy: -1.531 local terms energy: -675.180974 where: bonds (distance) C4'-P energy: -116.149 bonds (distance) P-C4' energy: -137.041 flat angles C4'-P-C4' energy: -131.859 flat angles P-C4'-P energy: -101.773 tors. eta vs tors. theta energy: -188.359 Dist. restrs. and SS energy: 0.000 (S_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: 93 Temperature: 1.300000 Total energy: -2265.151383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.151383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.151383 (E_RNA) where: Base-Base interactions energy: -1599.979 where: short stacking energy: -647.064 Base-Backbone interact. energy: 2.853 local terms energy: -668.025417 where: bonds (distance) C4'-P energy: -112.998 bonds (distance) P-C4' energy: -121.999 flat angles C4'-P-C4' energy: -151.403 flat angles P-C4'-P energy: -94.289 tors. eta vs tors. theta energy: -187.336 Dist. restrs. and SS energy: 0.000 (S_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: 93 Temperature: 1.350000 Total energy: -2097.363943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.363943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.363943 (E_RNA) where: Base-Base interactions energy: -1463.086 where: short stacking energy: -605.075 Base-Backbone interact. energy: 0.560 local terms energy: -634.837967 where: bonds (distance) C4'-P energy: -110.744 bonds (distance) P-C4' energy: -151.267 flat angles C4'-P-C4' energy: -132.620 flat angles P-C4'-P energy: -75.288 tors. eta vs tors. theta energy: -164.919 Dist. restrs. and SS energy: 0.000 (S_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: 94 Temperature: 0.900000 Total energy: -2711.204785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.204785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.204785 (E_RNA) where: Base-Base interactions energy: -1930.742 where: short stacking energy: -763.317 Base-Backbone interact. energy: -2.624 local terms energy: -777.839133 where: bonds (distance) C4'-P energy: -128.610 bonds (distance) P-C4' energy: -145.669 flat angles C4'-P-C4' energy: -156.170 flat angles P-C4'-P energy: -120.438 tors. eta vs tors. theta energy: -226.952 Dist. restrs. and SS energy: 0.000 (S_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: 94 Temperature: 0.950000 Total energy: -2711.831987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.831987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.831987 (E_RNA) where: Base-Base interactions energy: -1948.381 where: short stacking energy: -755.950 Base-Backbone interact. energy: 0.422 local terms energy: -763.872934 where: bonds (distance) C4'-P energy: -123.430 bonds (distance) P-C4' energy: -152.495 flat angles C4'-P-C4' energy: -154.110 flat angles P-C4'-P energy: -107.506 tors. eta vs tors. theta energy: -226.331 Dist. restrs. and SS energy: 0.000 (S_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: 94 Temperature: 1.000000 Total energy: -2641.776893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.776893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.776893 (E_RNA) where: Base-Base interactions energy: -1863.779 where: short stacking energy: -754.813 Base-Backbone interact. energy: -1.207 local terms energy: -776.790617 where: bonds (distance) C4'-P energy: -112.556 bonds (distance) P-C4' energy: -164.261 flat angles C4'-P-C4' energy: -160.309 flat angles P-C4'-P energy: -109.487 tors. eta vs tors. theta energy: -230.179 Dist. restrs. and SS energy: 0.000 (S_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: 94 Temperature: 1.050000 Total energy: -2604.379017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.379017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.379017 (E_RNA) where: Base-Base interactions energy: -1858.636 where: short stacking energy: -746.430 Base-Backbone interact. energy: 0.185 local terms energy: -745.927276 where: bonds (distance) C4'-P energy: -114.438 bonds (distance) P-C4' energy: -143.608 flat angles C4'-P-C4' energy: -155.187 flat angles P-C4'-P energy: -109.940 tors. eta vs tors. theta energy: -222.754 Dist. restrs. and SS energy: 0.000 (S_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: 94 Temperature: 1.100000 Total energy: -2571.367460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.367460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.367460 (E_RNA) where: Base-Base interactions energy: -1830.617 where: short stacking energy: -733.533 Base-Backbone interact. energy: -2.385 local terms energy: -738.365319 where: bonds (distance) C4'-P energy: -118.165 bonds (distance) P-C4' energy: -138.401 flat angles C4'-P-C4' energy: -154.449 flat angles P-C4'-P energy: -111.846 tors. eta vs tors. theta energy: -215.506 Dist. restrs. and SS energy: 0.000 (S_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: 94 Temperature: 1.150000 Total energy: -2546.364735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.364735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.364735 (E_RNA) where: Base-Base interactions energy: -1819.605 where: short stacking energy: -712.141 Base-Backbone interact. energy: 0.655 local terms energy: -727.415236 where: bonds (distance) C4'-P energy: -112.810 bonds (distance) P-C4' energy: -155.304 flat angles C4'-P-C4' energy: -156.730 flat angles P-C4'-P energy: -97.236 tors. eta vs tors. theta energy: -205.335 Dist. restrs. and SS energy: 0.000 (S_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: 94 Temperature: 1.200000 Total energy: -2398.036503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.036503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.036503 (E_RNA) where: Base-Base interactions energy: -1714.403 where: short stacking energy: -698.536 Base-Backbone interact. energy: -0.570 local terms energy: -683.063253 where: bonds (distance) C4'-P energy: -105.370 bonds (distance) P-C4' energy: -133.724 flat angles C4'-P-C4' energy: -141.424 flat angles P-C4'-P energy: -93.488 tors. eta vs tors. theta energy: -209.057 Dist. restrs. and SS energy: 0.000 (S_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: 94 Temperature: 1.250000 Total energy: -2280.306549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.306549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.306549 (E_RNA) where: Base-Base interactions energy: -1608.399 where: short stacking energy: -648.572 Base-Backbone interact. energy: -1.229 local terms energy: -670.678313 where: bonds (distance) C4'-P energy: -99.632 bonds (distance) P-C4' energy: -142.774 flat angles C4'-P-C4' energy: -143.129 flat angles P-C4'-P energy: -98.511 tors. eta vs tors. theta energy: -186.633 Dist. restrs. and SS energy: 0.000 (S_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: 94 Temperature: 1.300000 Total energy: -2266.686625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.686625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.686625 (E_RNA) where: Base-Base interactions energy: -1603.586 where: short stacking energy: -651.441 Base-Backbone interact. energy: -2.867 local terms energy: -660.233810 where: bonds (distance) C4'-P energy: -79.036 bonds (distance) P-C4' energy: -134.779 flat angles C4'-P-C4' energy: -147.199 flat angles P-C4'-P energy: -105.045 tors. eta vs tors. theta energy: -194.174 Dist. restrs. and SS energy: 0.000 (S_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: 94 Temperature: 1.350000 Total energy: -2108.442500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.442500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.442500 (E_RNA) where: Base-Base interactions energy: -1444.899 where: short stacking energy: -594.738 Base-Backbone interact. energy: -2.313 local terms energy: -661.229585 where: bonds (distance) C4'-P energy: -116.886 bonds (distance) P-C4' energy: -144.702 flat angles C4'-P-C4' energy: -139.605 flat angles P-C4'-P energy: -85.558 tors. eta vs tors. theta energy: -174.478 Dist. restrs. and SS energy: 0.000 (S_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: 95 Temperature: 0.900000 Total energy: -2699.111730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.111730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.111730 (E_RNA) where: Base-Base interactions energy: -1944.041 where: short stacking energy: -760.448 Base-Backbone interact. energy: -1.585 local terms energy: -753.485962 where: bonds (distance) C4'-P energy: -120.108 bonds (distance) P-C4' energy: -147.691 flat angles C4'-P-C4' energy: -164.195 flat angles P-C4'-P energy: -104.091 tors. eta vs tors. theta energy: -217.401 Dist. restrs. and SS energy: 0.000 (S_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: 95 Temperature: 0.950000 Total energy: -2700.579680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.579680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.579680 (E_RNA) where: Base-Base interactions energy: -1935.902 where: short stacking energy: -754.209 Base-Backbone interact. energy: -4.182 local terms energy: -760.495755 where: bonds (distance) C4'-P energy: -120.217 bonds (distance) P-C4' energy: -151.165 flat angles C4'-P-C4' energy: -157.969 flat angles P-C4'-P energy: -108.505 tors. eta vs tors. theta energy: -222.640 Dist. restrs. and SS energy: 0.000 (S_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: 95 Temperature: 1.000000 Total energy: -2613.468406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.468406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.468406 (E_RNA) where: Base-Base interactions energy: -1849.836 where: short stacking energy: -749.476 Base-Backbone interact. energy: 0.062 local terms energy: -763.694392 where: bonds (distance) C4'-P energy: -124.829 bonds (distance) P-C4' energy: -137.250 flat angles C4'-P-C4' energy: -168.882 flat angles P-C4'-P energy: -107.907 tors. eta vs tors. theta energy: -224.827 Dist. restrs. and SS energy: 0.000 (S_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: 95 Temperature: 1.050000 Total energy: -2617.365818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.365818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.365818 (E_RNA) where: Base-Base interactions energy: -1863.126 where: short stacking energy: -755.713 Base-Backbone interact. energy: -1.813 local terms energy: -752.426515 where: bonds (distance) C4'-P energy: -117.257 bonds (distance) P-C4' energy: -138.779 flat angles C4'-P-C4' energy: -158.238 flat angles P-C4'-P energy: -111.346 tors. eta vs tors. theta energy: -226.807 Dist. restrs. and SS energy: 0.000 (S_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: 95 Temperature: 1.100000 Total energy: -2590.047541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.047541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.047541 (E_RNA) where: Base-Base interactions energy: -1838.198 where: short stacking energy: -729.042 Base-Backbone interact. energy: -1.934 local terms energy: -749.915665 where: bonds (distance) C4'-P energy: -118.220 bonds (distance) P-C4' energy: -153.672 flat angles C4'-P-C4' energy: -155.146 flat angles P-C4'-P energy: -99.714 tors. eta vs tors. theta energy: -223.163 Dist. restrs. and SS energy: 0.000 (S_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: -2592.774173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.774173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.774173 (E_RNA) where: Base-Base interactions energy: -1854.165 where: short stacking energy: -720.145 Base-Backbone interact. energy: -2.547 local terms energy: -736.061697 where: bonds (distance) C4'-P energy: -127.848 bonds (distance) P-C4' energy: -149.693 flat angles C4'-P-C4' energy: -139.567 flat angles P-C4'-P energy: -101.562 tors. eta vs tors. theta energy: -217.390 Dist. restrs. and SS energy: 0.000 (S_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: 95 Temperature: 1.200000 Total energy: -2458.216413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.216413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.216413 (E_RNA) where: Base-Base interactions energy: -1731.565 where: short stacking energy: -698.288 Base-Backbone interact. energy: -1.899 local terms energy: -724.751820 where: bonds (distance) C4'-P energy: -106.780 bonds (distance) P-C4' energy: -142.795 flat angles C4'-P-C4' energy: -146.180 flat angles P-C4'-P energy: -112.791 tors. eta vs tors. theta energy: -216.206 Dist. restrs. and SS energy: 0.000 (S_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: 95 Temperature: 1.250000 Total energy: -2285.814401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.814401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.814401 (E_RNA) where: Base-Base interactions energy: -1589.600 where: short stacking energy: -641.157 Base-Backbone interact. energy: 1.118 local terms energy: -697.331546 where: bonds (distance) C4'-P energy: -104.441 bonds (distance) P-C4' energy: -150.051 flat angles C4'-P-C4' energy: -146.359 flat angles P-C4'-P energy: -104.385 tors. eta vs tors. theta energy: -192.096 Dist. restrs. and SS energy: 0.000 (S_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: 95 Temperature: 1.300000 Total energy: -2267.345001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.345001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.345001 (E_RNA) where: Base-Base interactions energy: -1594.648 where: short stacking energy: -636.474 Base-Backbone interact. energy: -1.199 local terms energy: -671.498049 where: bonds (distance) C4'-P energy: -106.928 bonds (distance) P-C4' energy: -143.262 flat angles C4'-P-C4' energy: -129.184 flat angles P-C4'-P energy: -101.295 tors. eta vs tors. theta energy: -190.829 Dist. restrs. and SS energy: 0.000 (S_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: 95 Temperature: 1.350000 Total energy: -2098.451305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.451305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.451305 (E_RNA) where: Base-Base interactions energy: -1464.192 where: short stacking energy: -580.927 Base-Backbone interact. energy: -2.890 local terms energy: -631.369057 where: bonds (distance) C4'-P energy: -91.620 bonds (distance) P-C4' energy: -137.460 flat angles C4'-P-C4' energy: -141.080 flat angles P-C4'-P energy: -90.601 tors. eta vs tors. theta energy: -170.608 Dist. restrs. and SS energy: 0.000 (S_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: 96 Temperature: 0.900000 Total energy: -2693.918986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.918986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.918986 (E_RNA) where: Base-Base interactions energy: -1920.767 where: short stacking energy: -762.699 Base-Backbone interact. energy: -0.853 local terms energy: -772.299671 where: bonds (distance) C4'-P energy: -129.081 bonds (distance) P-C4' energy: -150.569 flat angles C4'-P-C4' energy: -158.308 flat angles P-C4'-P energy: -111.991 tors. eta vs tors. theta energy: -222.351 Dist. restrs. and SS energy: 0.000 (S_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: 96 Temperature: 0.950000 Total energy: -2677.598101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.598101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.598101 (E_RNA) where: Base-Base interactions energy: -1942.582 where: short stacking energy: -760.882 Base-Backbone interact. energy: -0.640 local terms energy: -734.375678 where: bonds (distance) C4'-P energy: -120.213 bonds (distance) P-C4' energy: -132.739 flat angles C4'-P-C4' energy: -153.865 flat angles P-C4'-P energy: -108.181 tors. eta vs tors. theta energy: -219.378 Dist. restrs. and SS energy: 0.000 (S_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: 96 Temperature: 1.000000 Total energy: -2632.103480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.103480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.103480 (E_RNA) where: Base-Base interactions energy: -1855.355 where: short stacking energy: -755.644 Base-Backbone interact. energy: 3.087 local terms energy: -779.835688 where: bonds (distance) C4'-P energy: -124.199 bonds (distance) P-C4' energy: -157.047 flat angles C4'-P-C4' energy: -160.086 flat angles P-C4'-P energy: -110.399 tors. eta vs tors. theta energy: -228.105 Dist. restrs. and SS energy: 0.000 (S_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: 96 Temperature: 1.050000 Total energy: -2625.107178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.107178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.107178 (E_RNA) where: Base-Base interactions energy: -1887.218 where: short stacking energy: -766.864 Base-Backbone interact. energy: -4.161 local terms energy: -733.728257 where: bonds (distance) C4'-P energy: -107.199 bonds (distance) P-C4' energy: -147.323 flat angles C4'-P-C4' energy: -150.300 flat angles P-C4'-P energy: -96.809 tors. eta vs tors. theta energy: -232.097 Dist. restrs. and SS energy: 0.000 (S_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: -2583.186668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.186668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.186668 (E_RNA) where: Base-Base interactions energy: -1847.291 where: short stacking energy: -726.008 Base-Backbone interact. energy: -0.744 local terms energy: -735.151747 where: bonds (distance) C4'-P energy: -109.526 bonds (distance) P-C4' energy: -141.304 flat angles C4'-P-C4' energy: -153.970 flat angles P-C4'-P energy: -115.632 tors. eta vs tors. theta energy: -214.719 Dist. restrs. and SS energy: 0.000 (S_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: 96 Temperature: 1.150000 Total energy: -2523.631852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.631852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.631852 (E_RNA) where: Base-Base interactions energy: -1798.769 where: short stacking energy: -719.088 Base-Backbone interact. energy: -2.573 local terms energy: -722.290253 where: bonds (distance) C4'-P energy: -103.592 bonds (distance) P-C4' energy: -146.934 flat angles C4'-P-C4' energy: -149.441 flat angles P-C4'-P energy: -100.476 tors. eta vs tors. theta energy: -221.847 Dist. restrs. and SS energy: 0.000 (S_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: 96 Temperature: 1.200000 Total energy: -2485.882248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.882248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.882248 (E_RNA) where: Base-Base interactions energy: -1772.056 where: short stacking energy: -706.215 Base-Backbone interact. energy: -1.208 local terms energy: -712.617536 where: bonds (distance) C4'-P energy: -96.025 bonds (distance) P-C4' energy: -142.180 flat angles C4'-P-C4' energy: -157.884 flat angles P-C4'-P energy: -97.591 tors. eta vs tors. theta energy: -218.938 Dist. restrs. and SS energy: 0.000 (S_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: 96 Temperature: 1.250000 Total energy: -2277.224107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.224107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.224107 (E_RNA) where: Base-Base interactions energy: -1606.367 where: short stacking energy: -653.200 Base-Backbone interact. energy: -1.132 local terms energy: -669.726012 where: bonds (distance) C4'-P energy: -101.325 bonds (distance) P-C4' energy: -138.673 flat angles C4'-P-C4' energy: -155.384 flat angles P-C4'-P energy: -90.076 tors. eta vs tors. theta energy: -184.268 Dist. restrs. and SS energy: 0.000 (S_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: 96 Temperature: 1.300000 Total energy: -2142.156193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.156193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.156193 (E_RNA) where: Base-Base interactions energy: -1478.877 where: short stacking energy: -621.241 Base-Backbone interact. energy: -2.171 local terms energy: -661.108403 where: bonds (distance) C4'-P energy: -104.871 bonds (distance) P-C4' energy: -152.956 flat angles C4'-P-C4' energy: -139.856 flat angles P-C4'-P energy: -99.135 tors. eta vs tors. theta energy: -164.291 Dist. restrs. and SS energy: 0.000 (S_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: 96 Temperature: 1.350000 Total energy: -2143.424555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.424555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.424555 (E_RNA) where: Base-Base interactions energy: -1507.384 where: short stacking energy: -610.958 Base-Backbone interact. energy: -1.913 local terms energy: -634.127211 where: bonds (distance) C4'-P energy: -99.880 bonds (distance) P-C4' energy: -141.675 flat angles C4'-P-C4' energy: -126.424 flat angles P-C4'-P energy: -87.206 tors. eta vs tors. theta energy: -178.942 Dist. restrs. and SS energy: 0.000 (S_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: 97 Temperature: 0.900000 Total energy: -2720.606096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.606096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.606096 (E_RNA) where: Base-Base interactions energy: -1952.510 where: short stacking energy: -772.774 Base-Backbone interact. energy: 0.017 local terms energy: -768.112654 where: bonds (distance) C4'-P energy: -123.280 bonds (distance) P-C4' energy: -143.720 flat angles C4'-P-C4' energy: -161.912 flat angles P-C4'-P energy: -109.694 tors. eta vs tors. theta energy: -229.506 Dist. restrs. and SS energy: 0.000 (S_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: 97 Temperature: 0.950000 Total energy: -2689.913593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.913593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.913593 (E_RNA) where: Base-Base interactions energy: -1934.428 where: short stacking energy: -752.184 Base-Backbone interact. energy: -3.270 local terms energy: -752.215408 where: bonds (distance) C4'-P energy: -117.916 bonds (distance) P-C4' energy: -150.755 flat angles C4'-P-C4' energy: -158.904 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -217.976 Dist. restrs. and SS energy: 0.000 (S_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: 97 Temperature: 1.000000 Total energy: -2630.709710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.709710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.709710 (E_RNA) where: Base-Base interactions energy: -1880.529 where: short stacking energy: -747.840 Base-Backbone interact. energy: -2.412 local terms energy: -747.768274 where: bonds (distance) C4'-P energy: -101.025 bonds (distance) P-C4' energy: -147.130 flat angles C4'-P-C4' energy: -164.487 flat angles P-C4'-P energy: -108.305 tors. eta vs tors. theta energy: -226.822 Dist. restrs. and SS energy: 0.000 (S_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: 97 Temperature: 1.050000 Total energy: -2622.420480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.420480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.420480 (E_RNA) where: Base-Base interactions energy: -1867.496 where: short stacking energy: -751.236 Base-Backbone interact. energy: -1.752 local terms energy: -753.171951 where: bonds (distance) C4'-P energy: -116.090 bonds (distance) P-C4' energy: -144.590 flat angles C4'-P-C4' energy: -157.150 flat angles P-C4'-P energy: -111.943 tors. eta vs tors. theta energy: -223.399 Dist. restrs. and SS energy: 0.000 (S_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: 97 Temperature: 1.100000 Total energy: -2572.799679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.799679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.799679 (E_RNA) where: Base-Base interactions energy: -1847.962 where: short stacking energy: -733.786 Base-Backbone interact. energy: 3.277 local terms energy: -728.114485 where: bonds (distance) C4'-P energy: -104.176 bonds (distance) P-C4' energy: -140.760 flat angles C4'-P-C4' energy: -158.704 flat angles P-C4'-P energy: -104.104 tors. eta vs tors. theta energy: -220.370 Dist. restrs. and SS energy: 0.000 (S_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: 97 Temperature: 1.150000 Total energy: -2492.926683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.926683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.926683 (E_RNA) where: Base-Base interactions energy: -1775.794 where: short stacking energy: -698.502 Base-Backbone interact. energy: -0.894 local terms energy: -716.238832 where: bonds (distance) C4'-P energy: -102.898 bonds (distance) P-C4' energy: -134.550 flat angles C4'-P-C4' energy: -157.364 flat angles P-C4'-P energy: -104.291 tors. eta vs tors. theta energy: -217.137 Dist. restrs. and SS energy: 0.000 (S_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: 97 Temperature: 1.200000 Total energy: -2487.029732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.029732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.029732 (E_RNA) where: Base-Base interactions energy: -1761.910 where: short stacking energy: -707.162 Base-Backbone interact. energy: -1.728 local terms energy: -723.391781 where: bonds (distance) C4'-P energy: -105.876 bonds (distance) P-C4' energy: -150.501 flat angles C4'-P-C4' energy: -151.100 flat angles P-C4'-P energy: -96.865 tors. eta vs tors. theta energy: -219.049 Dist. restrs. and SS energy: 0.000 (S_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: 97 Temperature: 1.250000 Total energy: -2291.981529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.981529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.981529 (E_RNA) where: Base-Base interactions energy: -1614.307 where: short stacking energy: -649.984 Base-Backbone interact. energy: -2.645 local terms energy: -675.029339 where: bonds (distance) C4'-P energy: -103.877 bonds (distance) P-C4' energy: -142.449 flat angles C4'-P-C4' energy: -152.535 flat angles P-C4'-P energy: -85.444 tors. eta vs tors. theta energy: -190.725 Dist. restrs. and SS energy: 0.000 (S_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: 97 Temperature: 1.300000 Total energy: -2124.288941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.288941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.288941 (E_RNA) where: Base-Base interactions energy: -1471.705 where: short stacking energy: -615.115 Base-Backbone interact. energy: -0.654 local terms energy: -651.929738 where: bonds (distance) C4'-P energy: -100.944 bonds (distance) P-C4' energy: -139.757 flat angles C4'-P-C4' energy: -145.032 flat angles P-C4'-P energy: -95.845 tors. eta vs tors. theta energy: -170.352 Dist. restrs. and SS energy: 0.000 (S_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: 97 Temperature: 1.350000 Total energy: -2125.954723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.954723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.954723 (E_RNA) where: Base-Base interactions energy: -1492.518 where: short stacking energy: -618.820 Base-Backbone interact. energy: -0.333 local terms energy: -633.103644 where: bonds (distance) C4'-P energy: -104.166 bonds (distance) P-C4' energy: -124.923 flat angles C4'-P-C4' energy: -140.734 flat angles P-C4'-P energy: -92.370 tors. eta vs tors. theta energy: -170.911 Dist. restrs. and SS energy: 0.000 (S_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: 98 Temperature: 0.900000 Total energy: -2731.350958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.350958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.350958 (E_RNA) where: Base-Base interactions energy: -1962.867 where: short stacking energy: -787.482 Base-Backbone interact. energy: -3.515 local terms energy: -764.968794 where: bonds (distance) C4'-P energy: -109.196 bonds (distance) P-C4' energy: -161.731 flat angles C4'-P-C4' energy: -163.210 flat angles P-C4'-P energy: -97.985 tors. eta vs tors. theta energy: -232.847 Dist. restrs. and SS energy: 0.000 (S_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: 98 Temperature: 0.950000 Total energy: -2668.501676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.501676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.501676 (E_RNA) where: Base-Base interactions energy: -1915.965 where: short stacking energy: -753.995 Base-Backbone interact. energy: -2.777 local terms energy: -749.758799 where: bonds (distance) C4'-P energy: -120.802 bonds (distance) P-C4' energy: -142.555 flat angles C4'-P-C4' energy: -155.577 flat angles P-C4'-P energy: -107.701 tors. eta vs tors. theta energy: -223.124 Dist. restrs. and SS energy: 0.000 (S_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: 98 Temperature: 1.000000 Total energy: -2643.211585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.211585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.211585 (E_RNA) where: Base-Base interactions energy: -1900.696 where: short stacking energy: -735.298 Base-Backbone interact. energy: -2.583 local terms energy: -739.931840 where: bonds (distance) C4'-P energy: -114.246 bonds (distance) P-C4' energy: -140.786 flat angles C4'-P-C4' energy: -162.191 flat angles P-C4'-P energy: -96.242 tors. eta vs tors. theta energy: -226.467 Dist. restrs. and SS energy: 0.000 (S_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: 98 Temperature: 1.050000 Total energy: -2604.473344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.473344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.473344 (E_RNA) where: Base-Base interactions energy: -1846.760 where: short stacking energy: -749.038 Base-Backbone interact. energy: -0.992 local terms energy: -756.720884 where: bonds (distance) C4'-P energy: -119.844 bonds (distance) P-C4' energy: -150.653 flat angles C4'-P-C4' energy: -158.896 flat angles P-C4'-P energy: -101.147 tors. eta vs tors. theta energy: -226.181 Dist. restrs. and SS energy: 0.000 (S_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: 98 Temperature: 1.100000 Total energy: -2592.205392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.205392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.205392 (E_RNA) where: Base-Base interactions energy: -1862.239 where: short stacking energy: -733.039 Base-Backbone interact. energy: -0.328 local terms energy: -729.638017 where: bonds (distance) C4'-P energy: -98.688 bonds (distance) P-C4' energy: -140.799 flat angles C4'-P-C4' energy: -159.114 flat angles P-C4'-P energy: -107.033 tors. eta vs tors. theta energy: -224.004 Dist. restrs. and SS energy: 0.000 (S_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: -2534.082437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.082437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.082437 (E_RNA) where: Base-Base interactions energy: -1795.184 where: short stacking energy: -739.965 Base-Backbone interact. energy: 0.234 local terms energy: -739.131936 where: bonds (distance) C4'-P energy: -116.111 bonds (distance) P-C4' energy: -142.013 flat angles C4'-P-C4' energy: -154.446 flat angles P-C4'-P energy: -103.407 tors. eta vs tors. theta energy: -223.155 Dist. restrs. and SS energy: 0.000 (S_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: 98 Temperature: 1.200000 Total energy: -2441.480221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.480221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.480221 (E_RNA) where: Base-Base interactions energy: -1737.845 where: short stacking energy: -696.694 Base-Backbone interact. energy: -2.546 local terms energy: -701.088969 where: bonds (distance) C4'-P energy: -101.800 bonds (distance) P-C4' energy: -141.808 flat angles C4'-P-C4' energy: -147.305 flat angles P-C4'-P energy: -100.506 tors. eta vs tors. theta energy: -209.670 Dist. restrs. and SS energy: 0.000 (S_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: 98 Temperature: 1.250000 Total energy: -2293.723517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.723517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.723517 (E_RNA) where: Base-Base interactions energy: -1610.869 where: short stacking energy: -647.176 Base-Backbone interact. energy: 2.630 local terms energy: -685.484499 where: bonds (distance) C4'-P energy: -117.361 bonds (distance) P-C4' energy: -123.507 flat angles C4'-P-C4' energy: -149.360 flat angles P-C4'-P energy: -112.049 tors. eta vs tors. theta energy: -183.207 Dist. restrs. and SS energy: 0.000 (S_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: 98 Temperature: 1.300000 Total energy: -2203.138038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.138038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.138038 (E_RNA) where: Base-Base interactions energy: -1534.603 where: short stacking energy: -611.603 Base-Backbone interact. energy: -0.045 local terms energy: -668.490093 where: bonds (distance) C4'-P energy: -109.611 bonds (distance) P-C4' energy: -136.416 flat angles C4'-P-C4' energy: -148.768 flat angles P-C4'-P energy: -85.998 tors. eta vs tors. theta energy: -187.697 Dist. restrs. and SS energy: 0.000 (S_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: 98 Temperature: 1.350000 Total energy: -2095.900737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.900737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.900737 (E_RNA) where: Base-Base interactions energy: -1448.592 where: short stacking energy: -582.324 Base-Backbone interact. energy: -1.980 local terms energy: -645.329176 where: bonds (distance) C4'-P energy: -106.601 bonds (distance) P-C4' energy: -143.317 flat angles C4'-P-C4' energy: -132.826 flat angles P-C4'-P energy: -94.092 tors. eta vs tors. theta energy: -168.493 Dist. restrs. and SS energy: 0.000 (S_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: 99 Temperature: 0.900000 Total energy: -2710.564380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.564380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.564380 (E_RNA) where: Base-Base interactions energy: -1932.348 where: short stacking energy: -753.487 Base-Backbone interact. energy: -3.408 local terms energy: -774.808486 where: bonds (distance) C4'-P energy: -120.103 bonds (distance) P-C4' energy: -154.611 flat angles C4'-P-C4' energy: -160.953 flat angles P-C4'-P energy: -112.884 tors. eta vs tors. theta energy: -226.257 Dist. restrs. and SS energy: 0.000 (S_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: 99 Temperature: 0.950000 Total energy: -2671.118266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.118266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.118266 (E_RNA) where: Base-Base interactions energy: -1900.539 where: short stacking energy: -737.684 Base-Backbone interact. energy: -2.464 local terms energy: -768.114790 where: bonds (distance) C4'-P energy: -126.203 bonds (distance) P-C4' energy: -150.762 flat angles C4'-P-C4' energy: -158.936 flat angles P-C4'-P energy: -114.801 tors. eta vs tors. theta energy: -217.412 Dist. restrs. and SS energy: 0.000 (S_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: 99 Temperature: 1.000000 Total energy: -2626.174966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.174966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.174966 (E_RNA) where: Base-Base interactions energy: -1876.019 where: short stacking energy: -735.798 Base-Backbone interact. energy: -2.780 local terms energy: -747.376503 where: bonds (distance) C4'-P energy: -112.213 bonds (distance) P-C4' energy: -155.297 flat angles C4'-P-C4' energy: -151.782 flat angles P-C4'-P energy: -112.931 tors. eta vs tors. theta energy: -215.153 Dist. restrs. and SS energy: 0.000 (S_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: 99 Temperature: 1.050000 Total energy: -2617.267319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.267319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.267319 (E_RNA) where: Base-Base interactions energy: -1874.126 where: short stacking energy: -747.958 Base-Backbone interact. energy: -2.735 local terms energy: -740.406792 where: bonds (distance) C4'-P energy: -107.888 bonds (distance) P-C4' energy: -144.474 flat angles C4'-P-C4' energy: -159.496 flat angles P-C4'-P energy: -107.068 tors. eta vs tors. theta energy: -221.481 Dist. restrs. and SS energy: 0.000 (S_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: 99 Temperature: 1.100000 Total energy: -2580.855601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.855601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.855601 (E_RNA) where: Base-Base interactions energy: -1847.615 where: short stacking energy: -739.003 Base-Backbone interact. energy: -1.802 local terms energy: -731.439256 where: bonds (distance) C4'-P energy: -99.586 bonds (distance) P-C4' energy: -146.105 flat angles C4'-P-C4' energy: -160.321 flat angles P-C4'-P energy: -103.490 tors. eta vs tors. theta energy: -221.937 Dist. restrs. and SS energy: 0.000 (S_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: 99 Temperature: 1.150000 Total energy: -2509.148317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.148317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.148317 (E_RNA) where: Base-Base interactions energy: -1781.561 where: short stacking energy: -725.848 Base-Backbone interact. energy: -3.661 local terms energy: -723.926710 where: bonds (distance) C4'-P energy: -108.453 bonds (distance) P-C4' energy: -131.519 flat angles C4'-P-C4' energy: -161.207 flat angles P-C4'-P energy: -105.489 tors. eta vs tors. theta energy: -217.258 Dist. restrs. and SS energy: 0.000 (S_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: 99 Temperature: 1.200000 Total energy: -2481.487238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.487238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.487238 (E_RNA) where: Base-Base interactions energy: -1771.088 where: short stacking energy: -726.630 Base-Backbone interact. energy: -1.396 local terms energy: -709.003197 where: bonds (distance) C4'-P energy: -101.763 bonds (distance) P-C4' energy: -142.207 flat angles C4'-P-C4' energy: -151.455 flat angles P-C4'-P energy: -98.948 tors. eta vs tors. theta energy: -214.631 Dist. restrs. and SS energy: 0.000 (S_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: 99 Temperature: 1.250000 Total energy: -2291.285969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.285969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.285969 (E_RNA) where: Base-Base interactions energy: -1591.606 where: short stacking energy: -635.391 Base-Backbone interact. energy: -0.921 local terms energy: -698.758917 where: bonds (distance) C4'-P energy: -109.829 bonds (distance) P-C4' energy: -144.757 flat angles C4'-P-C4' energy: -152.928 flat angles P-C4'-P energy: -97.296 tors. eta vs tors. theta energy: -193.950 Dist. restrs. and SS energy: 0.000 (S_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: 99 Temperature: 1.300000 Total energy: -2275.420898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.420898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.420898 (E_RNA) where: Base-Base interactions energy: -1607.525 where: short stacking energy: -642.661 Base-Backbone interact. energy: -0.643 local terms energy: -667.252423 where: bonds (distance) C4'-P energy: -107.581 bonds (distance) P-C4' energy: -133.172 flat angles C4'-P-C4' energy: -141.339 flat angles P-C4'-P energy: -94.168 tors. eta vs tors. theta energy: -190.993 Dist. restrs. and SS energy: 0.000 (S_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: 99 Temperature: 1.350000 Total energy: -2125.100526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.100526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.100526 (E_RNA) where: Base-Base interactions energy: -1470.302 where: short stacking energy: -614.884 Base-Backbone interact. energy: -1.584 local terms energy: -653.214571 where: bonds (distance) C4'-P energy: -89.004 bonds (distance) P-C4' energy: -139.557 flat angles C4'-P-C4' energy: -135.009 flat angles P-C4'-P energy: -103.144 tors. eta vs tors. theta energy: -186.501 Dist. restrs. and SS energy: 0.000 (S_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: 100 Temperature: 0.900000 Total energy: -2709.303985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.303985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.303985 (E_RNA) where: Base-Base interactions energy: -1945.750 where: short stacking energy: -759.861 Base-Backbone interact. energy: -2.486 local terms energy: -761.068738 where: bonds (distance) C4'-P energy: -116.126 bonds (distance) P-C4' energy: -143.003 flat angles C4'-P-C4' energy: -167.189 flat angles P-C4'-P energy: -108.905 tors. eta vs tors. theta energy: -225.846 Dist. restrs. and SS energy: 0.000 (S_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: 100 Temperature: 0.950000 Total energy: -2674.321206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.321206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.321206 (E_RNA) where: Base-Base interactions energy: -1924.564 where: short stacking energy: -756.555 Base-Backbone interact. energy: -0.565 local terms energy: -749.192673 where: bonds (distance) C4'-P energy: -119.303 bonds (distance) P-C4' energy: -145.900 flat angles C4'-P-C4' energy: -148.411 flat angles P-C4'-P energy: -113.141 tors. eta vs tors. theta energy: -222.437 Dist. restrs. and SS energy: 0.000 (S_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: 100 Temperature: 1.000000 Total energy: -2614.922473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.922473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.922473 (E_RNA) where: Base-Base interactions energy: -1854.013 where: short stacking energy: -756.162 Base-Backbone interact. energy: -0.679 local terms energy: -760.230617 where: bonds (distance) C4'-P energy: -106.374 bonds (distance) P-C4' energy: -154.046 flat angles C4'-P-C4' energy: -161.255 flat angles P-C4'-P energy: -112.729 tors. eta vs tors. theta energy: -225.827 Dist. restrs. and SS energy: 0.000 (S_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: 100 Temperature: 1.050000 Total energy: -2608.799348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.799348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.799348 (E_RNA) where: Base-Base interactions energy: -1870.928 where: short stacking energy: -734.953 Base-Backbone interact. energy: -1.994 local terms energy: -735.877647 where: bonds (distance) C4'-P energy: -124.365 bonds (distance) P-C4' energy: -131.187 flat angles C4'-P-C4' energy: -160.367 flat angles P-C4'-P energy: -107.822 tors. eta vs tors. theta energy: -212.137 Dist. restrs. and SS energy: 0.000 (S_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: 100 Temperature: 1.100000 Total energy: -2537.592631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.592631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.592631 (E_RNA) where: Base-Base interactions energy: -1811.059 where: short stacking energy: -732.731 Base-Backbone interact. energy: -2.221 local terms energy: -724.313080 where: bonds (distance) C4'-P energy: -104.418 bonds (distance) P-C4' energy: -141.909 flat angles C4'-P-C4' energy: -143.165 flat angles P-C4'-P energy: -111.231 tors. eta vs tors. theta energy: -223.590 Dist. restrs. and SS energy: 0.000 (S_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: 100 Temperature: 1.150000 Total energy: -2531.910526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.910526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.910526 (E_RNA) where: Base-Base interactions energy: -1806.816 where: short stacking energy: -713.614 Base-Backbone interact. energy: -0.526 local terms energy: -724.568814 where: bonds (distance) C4'-P energy: -108.307 bonds (distance) P-C4' energy: -139.144 flat angles C4'-P-C4' energy: -149.980 flat angles P-C4'-P energy: -107.033 tors. eta vs tors. theta energy: -220.105 Dist. restrs. and SS energy: 0.000 (S_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: 100 Temperature: 1.200000 Total energy: -2346.324731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.324731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.324731 (E_RNA) where: Base-Base interactions energy: -1665.884 where: short stacking energy: -653.980 Base-Backbone interact. energy: -2.450 local terms energy: -677.990065 where: bonds (distance) C4'-P energy: -99.185 bonds (distance) P-C4' energy: -138.642 flat angles C4'-P-C4' energy: -130.098 flat angles P-C4'-P energy: -103.938 tors. eta vs tors. theta energy: -206.127 Dist. restrs. and SS energy: 0.000 (S_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: 100 Temperature: 1.250000 Total energy: -2473.615693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.615693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.615693 (E_RNA) where: Base-Base interactions energy: -1768.147 where: short stacking energy: -710.604 Base-Backbone interact. energy: -0.623 local terms energy: -704.845773 where: bonds (distance) C4'-P energy: -102.463 bonds (distance) P-C4' energy: -145.277 flat angles C4'-P-C4' energy: -142.398 flat angles P-C4'-P energy: -94.506 tors. eta vs tors. theta energy: -220.203 Dist. restrs. and SS energy: 0.000 (S_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: 100 Temperature: 1.300000 Total energy: -2255.543203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.543203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.543203 (E_RNA) where: Base-Base interactions energy: -1582.688 where: short stacking energy: -633.604 Base-Backbone interact. energy: -1.756 local terms energy: -671.098778 where: bonds (distance) C4'-P energy: -109.802 bonds (distance) P-C4' energy: -138.929 flat angles C4'-P-C4' energy: -139.411 flat angles P-C4'-P energy: -97.194 tors. eta vs tors. theta energy: -185.763 Dist. restrs. and SS energy: 0.000 (S_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: -2144.390914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.390914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.390914 (E_RNA) where: Base-Base interactions energy: -1486.585 where: short stacking energy: -609.428 Base-Backbone interact. energy: -0.029 local terms energy: -657.776225 where: bonds (distance) C4'-P energy: -111.720 bonds (distance) P-C4' energy: -135.040 flat angles C4'-P-C4' energy: -138.659 flat angles P-C4'-P energy: -98.272 tors. eta vs tors. theta energy: -174.086 Dist. restrs. and SS energy: 0.000 (S_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: 101 Temperature: 0.900000 Total energy: -2690.327779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.327779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.327779 (E_RNA) where: Base-Base interactions energy: -1931.490 where: short stacking energy: -774.194 Base-Backbone interact. energy: -2.202 local terms energy: -756.635363 where: bonds (distance) C4'-P energy: -110.265 bonds (distance) P-C4' energy: -156.403 flat angles C4'-P-C4' energy: -156.892 flat angles P-C4'-P energy: -110.000 tors. eta vs tors. theta energy: -223.075 Dist. restrs. and SS energy: 0.000 (S_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: -2706.934249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.934249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.934249 (E_RNA) where: Base-Base interactions energy: -1937.608 where: short stacking energy: -758.902 Base-Backbone interact. energy: -0.841 local terms energy: -768.484796 where: bonds (distance) C4'-P energy: -123.989 bonds (distance) P-C4' energy: -152.715 flat angles C4'-P-C4' energy: -155.545 flat angles P-C4'-P energy: -112.495 tors. eta vs tors. theta energy: -223.740 Dist. restrs. and SS energy: 0.000 (S_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: 101 Temperature: 1.000000 Total energy: -2610.501863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.501863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.501863 (E_RNA) where: Base-Base interactions energy: -1857.833 where: short stacking energy: -752.556 Base-Backbone interact. energy: -0.678 local terms energy: -751.990848 where: bonds (distance) C4'-P energy: -113.177 bonds (distance) P-C4' energy: -147.372 flat angles C4'-P-C4' energy: -162.226 flat angles P-C4'-P energy: -106.247 tors. eta vs tors. theta energy: -222.969 Dist. restrs. and SS energy: 0.000 (S_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: 101 Temperature: 1.050000 Total energy: -2635.284822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.284822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.284822 (E_RNA) where: Base-Base interactions energy: -1887.632 where: short stacking energy: -755.255 Base-Backbone interact. energy: -2.022 local terms energy: -745.630834 where: bonds (distance) C4'-P energy: -111.210 bonds (distance) P-C4' energy: -141.371 flat angles C4'-P-C4' energy: -157.082 flat angles P-C4'-P energy: -108.616 tors. eta vs tors. theta energy: -227.352 Dist. restrs. and SS energy: 0.000 (S_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: 101 Temperature: 1.100000 Total energy: -2524.630341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.630341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.630341 (E_RNA) where: Base-Base interactions energy: -1785.384 where: short stacking energy: -709.969 Base-Backbone interact. energy: -1.242 local terms energy: -738.005009 where: bonds (distance) C4'-P energy: -115.647 bonds (distance) P-C4' energy: -152.165 flat angles C4'-P-C4' energy: -149.395 flat angles P-C4'-P energy: -112.151 tors. eta vs tors. theta energy: -208.646 Dist. restrs. and SS energy: 0.000 (S_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: 101 Temperature: 1.150000 Total energy: -2500.640910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.640910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.640910 (E_RNA) where: Base-Base interactions energy: -1776.631 where: short stacking energy: -720.591 Base-Backbone interact. energy: -0.103 local terms energy: -723.907809 where: bonds (distance) C4'-P energy: -109.448 bonds (distance) P-C4' energy: -139.754 flat angles C4'-P-C4' energy: -152.389 flat angles P-C4'-P energy: -109.663 tors. eta vs tors. theta energy: -212.654 Dist. restrs. and SS energy: 0.000 (S_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: -2403.785144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.785144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.785144 (E_RNA) where: Base-Base interactions energy: -1681.617 where: short stacking energy: -674.638 Base-Backbone interact. energy: -1.794 local terms energy: -720.373787 where: bonds (distance) C4'-P energy: -109.719 bonds (distance) P-C4' energy: -147.298 flat angles C4'-P-C4' energy: -162.264 flat angles P-C4'-P energy: -105.217 tors. eta vs tors. theta energy: -195.876 Dist. restrs. and SS energy: 0.000 (S_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: 101 Temperature: 1.250000 Total energy: -2450.940933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.940933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.940933 (E_RNA) where: Base-Base interactions energy: -1764.240 where: short stacking energy: -728.594 Base-Backbone interact. energy: -2.445 local terms energy: -684.255626 where: bonds (distance) C4'-P energy: -102.845 bonds (distance) P-C4' energy: -140.704 flat angles C4'-P-C4' energy: -139.785 flat angles P-C4'-P energy: -83.850 tors. eta vs tors. theta energy: -217.072 Dist. restrs. and SS energy: 0.000 (S_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: 101 Temperature: 1.300000 Total energy: -2238.582828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.582828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.582828 (E_RNA) where: Base-Base interactions energy: -1573.345 where: short stacking energy: -639.443 Base-Backbone interact. energy: -2.938 local terms energy: -662.300396 where: bonds (distance) C4'-P energy: -108.254 bonds (distance) P-C4' energy: -130.045 flat angles C4'-P-C4' energy: -139.202 flat angles P-C4'-P energy: -104.514 tors. eta vs tors. theta energy: -180.286 Dist. restrs. and SS energy: 0.000 (S_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: -2108.063406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.063406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.063406 (E_RNA) where: Base-Base interactions energy: -1469.493 where: short stacking energy: -607.275 Base-Backbone interact. energy: -1.611 local terms energy: -636.959377 where: bonds (distance) C4'-P energy: -95.237 bonds (distance) P-C4' energy: -139.769 flat angles C4'-P-C4' energy: -134.087 flat angles P-C4'-P energy: -91.647 tors. eta vs tors. theta energy: -176.220 Dist. restrs. and SS energy: 0.000 (S_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: 102 Temperature: 0.900000 Total energy: -2696.039167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.039167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.039167 (E_RNA) where: Base-Base interactions energy: -1932.571 where: short stacking energy: -757.523 Base-Backbone interact. energy: -0.346 local terms energy: -763.122415 where: bonds (distance) C4'-P energy: -129.117 bonds (distance) P-C4' energy: -147.552 flat angles C4'-P-C4' energy: -155.869 flat angles P-C4'-P energy: -106.729 tors. eta vs tors. theta energy: -223.855 Dist. restrs. and SS energy: 0.000 (S_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: 102 Temperature: 0.950000 Total energy: -2675.089079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.089079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.089079 (E_RNA) where: Base-Base interactions energy: -1926.500 where: short stacking energy: -756.777 Base-Backbone interact. energy: -4.000 local terms energy: -744.589720 where: bonds (distance) C4'-P energy: -116.604 bonds (distance) P-C4' energy: -152.020 flat angles C4'-P-C4' energy: -154.037 flat angles P-C4'-P energy: -100.612 tors. eta vs tors. theta energy: -221.317 Dist. restrs. and SS energy: 0.000 (S_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: 102 Temperature: 1.000000 Total energy: -2625.294411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.294411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.294411 (E_RNA) where: Base-Base interactions energy: -1857.815 where: short stacking energy: -745.100 Base-Backbone interact. energy: -2.476 local terms energy: -765.004212 where: bonds (distance) C4'-P energy: -117.767 bonds (distance) P-C4' energy: -153.454 flat angles C4'-P-C4' energy: -156.917 flat angles P-C4'-P energy: -109.195 tors. eta vs tors. theta energy: -227.671 Dist. restrs. and SS energy: 0.000 (S_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: 102 Temperature: 1.050000 Total energy: -2593.656531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.656531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.656531 (E_RNA) where: Base-Base interactions energy: -1852.324 where: short stacking energy: -749.020 Base-Backbone interact. energy: -1.982 local terms energy: -739.350950 where: bonds (distance) C4'-P energy: -104.215 bonds (distance) P-C4' energy: -138.025 flat angles C4'-P-C4' energy: -153.937 flat angles P-C4'-P energy: -116.708 tors. eta vs tors. theta energy: -226.466 Dist. restrs. and SS energy: 0.000 (S_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: 102 Temperature: 1.100000 Total energy: -2529.872961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.872961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.872961 (E_RNA) where: Base-Base interactions energy: -1777.704 where: short stacking energy: -738.073 Base-Backbone interact. energy: -2.105 local terms energy: -750.063298 where: bonds (distance) C4'-P energy: -115.714 bonds (distance) P-C4' energy: -148.284 flat angles C4'-P-C4' energy: -161.434 flat angles P-C4'-P energy: -100.608 tors. eta vs tors. theta energy: -224.023 Dist. restrs. and SS energy: 0.000 (S_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: 102 Temperature: 1.150000 Total energy: -2524.959592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.959592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.959592 (E_RNA) where: Base-Base interactions energy: -1795.736 where: short stacking energy: -728.994 Base-Backbone interact. energy: -2.409 local terms energy: -726.814404 where: bonds (distance) C4'-P energy: -120.691 bonds (distance) P-C4' energy: -141.332 flat angles C4'-P-C4' energy: -155.916 flat angles P-C4'-P energy: -94.419 tors. eta vs tors. theta energy: -214.456 Dist. restrs. and SS energy: 0.000 (S_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: 102 Temperature: 1.200000 Total energy: -2476.204984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.204984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.204984 (E_RNA) where: Base-Base interactions energy: -1779.470 where: short stacking energy: -700.563 Base-Backbone interact. energy: 0.050 local terms energy: -696.785540 where: bonds (distance) C4'-P energy: -97.668 bonds (distance) P-C4' energy: -132.565 flat angles C4'-P-C4' energy: -145.840 flat angles P-C4'-P energy: -99.608 tors. eta vs tors. theta energy: -221.104 Dist. restrs. and SS energy: 0.000 (S_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: -2368.814050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.814050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.814050 (E_RNA) where: Base-Base interactions energy: -1651.289 where: short stacking energy: -675.035 Base-Backbone interact. energy: -1.700 local terms energy: -715.824589 where: bonds (distance) C4'-P energy: -102.620 bonds (distance) P-C4' energy: -153.428 flat angles C4'-P-C4' energy: -146.786 flat angles P-C4'-P energy: -106.716 tors. eta vs tors. theta energy: -206.274 Dist. restrs. and SS energy: 0.000 (S_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: 102 Temperature: 1.300000 Total energy: -2251.935325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.935325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.935325 (E_RNA) where: Base-Base interactions energy: -1583.284 where: short stacking energy: -647.721 Base-Backbone interact. energy: -0.942 local terms energy: -667.709540 where: bonds (distance) C4'-P energy: -94.158 bonds (distance) P-C4' energy: -149.362 flat angles C4'-P-C4' energy: -143.308 flat angles P-C4'-P energy: -95.148 tors. eta vs tors. theta energy: -185.732 Dist. restrs. and SS energy: 0.000 (S_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: 102 Temperature: 1.350000 Total energy: -2097.368676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.368676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.368676 (E_RNA) where: Base-Base interactions energy: -1447.136 where: short stacking energy: -602.853 Base-Backbone interact. energy: -0.223 local terms energy: -650.010129 where: bonds (distance) C4'-P energy: -89.066 bonds (distance) P-C4' energy: -139.652 flat angles C4'-P-C4' energy: -147.208 flat angles P-C4'-P energy: -96.030 tors. eta vs tors. theta energy: -178.055 Dist. restrs. and SS energy: 0.000 (S_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: 103 Temperature: 0.900000 Total energy: -2714.431934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.431934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.431934 (E_RNA) where: Base-Base interactions energy: -1951.597 where: short stacking energy: -765.032 Base-Backbone interact. energy: 1.799 local terms energy: -764.634372 where: bonds (distance) C4'-P energy: -116.916 bonds (distance) P-C4' energy: -150.121 flat angles C4'-P-C4' energy: -158.685 flat angles P-C4'-P energy: -113.905 tors. eta vs tors. theta energy: -225.007 Dist. restrs. and SS energy: 0.000 (S_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: 103 Temperature: 0.950000 Total energy: -2694.955386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.955386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.955386 (E_RNA) where: Base-Base interactions energy: -1927.885 where: short stacking energy: -771.880 Base-Backbone interact. energy: -1.500 local terms energy: -765.570965 where: bonds (distance) C4'-P energy: -113.846 bonds (distance) P-C4' energy: -146.940 flat angles C4'-P-C4' energy: -165.161 flat angles P-C4'-P energy: -113.562 tors. eta vs tors. theta energy: -226.062 Dist. restrs. and SS energy: 0.000 (S_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: 103 Temperature: 1.000000 Total energy: -2667.743624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.743624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.743624 (E_RNA) where: Base-Base interactions energy: -1893.537 where: short stacking energy: -755.323 Base-Backbone interact. energy: -3.213 local terms energy: -770.994331 where: bonds (distance) C4'-P energy: -122.974 bonds (distance) P-C4' energy: -140.281 flat angles C4'-P-C4' energy: -159.415 flat angles P-C4'-P energy: -122.240 tors. eta vs tors. theta energy: -226.085 Dist. restrs. and SS energy: 0.000 (S_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: 103 Temperature: 1.050000 Total energy: -2588.650612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.650612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.650612 (E_RNA) where: Base-Base interactions energy: -1841.154 where: short stacking energy: -741.773 Base-Backbone interact. energy: -0.265 local terms energy: -747.231415 where: bonds (distance) C4'-P energy: -115.461 bonds (distance) P-C4' energy: -153.741 flat angles C4'-P-C4' energy: -155.375 flat angles P-C4'-P energy: -99.843 tors. eta vs tors. theta energy: -222.811 Dist. restrs. and SS energy: 0.000 (S_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: 103 Temperature: 1.100000 Total energy: -2523.620178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.620178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.620178 (E_RNA) where: Base-Base interactions energy: -1788.547 where: short stacking energy: -723.679 Base-Backbone interact. energy: -1.055 local terms energy: -734.018698 where: bonds (distance) C4'-P energy: -116.193 bonds (distance) P-C4' energy: -140.967 flat angles C4'-P-C4' energy: -158.412 flat angles P-C4'-P energy: -98.383 tors. eta vs tors. theta energy: -220.064 Dist. restrs. and SS energy: 0.000 (S_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: 103 Temperature: 1.150000 Total energy: -2507.170705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.170705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.170705 (E_RNA) where: Base-Base interactions energy: -1784.317 where: short stacking energy: -731.150 Base-Backbone interact. energy: -0.248 local terms energy: -722.605921 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -135.490 flat angles C4'-P-C4' energy: -159.232 flat angles P-C4'-P energy: -101.817 tors. eta vs tors. theta energy: -220.165 Dist. restrs. and SS energy: 0.000 (S_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: 103 Temperature: 1.200000 Total energy: -2489.615325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.615325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.615325 (E_RNA) where: Base-Base interactions energy: -1767.084 where: short stacking energy: -693.778 Base-Backbone interact. energy: 7.843 local terms energy: -730.374395 where: bonds (distance) C4'-P energy: -118.897 bonds (distance) P-C4' energy: -140.822 flat angles C4'-P-C4' energy: -150.661 flat angles P-C4'-P energy: -109.061 tors. eta vs tors. theta energy: -210.933 Dist. restrs. and SS energy: 0.000 (S_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: 103 Temperature: 1.250000 Total energy: -2352.723625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.723625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.723625 (E_RNA) where: Base-Base interactions energy: -1647.212 where: short stacking energy: -669.197 Base-Backbone interact. energy: -1.836 local terms energy: -703.675840 where: bonds (distance) C4'-P energy: -126.228 bonds (distance) P-C4' energy: -129.802 flat angles C4'-P-C4' energy: -150.116 flat angles P-C4'-P energy: -101.797 tors. eta vs tors. theta energy: -195.732 Dist. restrs. and SS energy: 0.000 (S_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: 103 Temperature: 1.300000 Total energy: -2170.073872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.073872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.073872 (E_RNA) where: Base-Base interactions energy: -1524.971 where: short stacking energy: -647.254 Base-Backbone interact. energy: -1.251 local terms energy: -643.851913 where: bonds (distance) C4'-P energy: -100.543 bonds (distance) P-C4' energy: -136.861 flat angles C4'-P-C4' energy: -135.397 flat angles P-C4'-P energy: -79.156 tors. eta vs tors. theta energy: -191.896 Dist. restrs. and SS energy: 0.000 (S_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: 103 Temperature: 1.350000 Total energy: -2056.292489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.292489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.292489 (E_RNA) where: Base-Base interactions energy: -1425.499 where: short stacking energy: -580.622 Base-Backbone interact. energy: 0.338 local terms energy: -631.131739 where: bonds (distance) C4'-P energy: -113.527 bonds (distance) P-C4' energy: -134.811 flat angles C4'-P-C4' energy: -136.861 flat angles P-C4'-P energy: -88.979 tors. eta vs tors. theta energy: -156.954 Dist. restrs. and SS energy: 0.000 (S_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: 104 Temperature: 0.900000 Total energy: -2721.885248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.885248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.885248 (E_RNA) where: Base-Base interactions energy: -1945.938 where: short stacking energy: -776.914 Base-Backbone interact. energy: -1.356 local terms energy: -774.591824 where: bonds (distance) C4'-P energy: -127.704 bonds (distance) P-C4' energy: -149.787 flat angles C4'-P-C4' energy: -159.639 flat angles P-C4'-P energy: -110.812 tors. eta vs tors. theta energy: -226.650 Dist. restrs. and SS energy: 0.000 (S_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: 104 Temperature: 0.950000 Total energy: -2688.932940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.932940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.932940 (E_RNA) where: Base-Base interactions energy: -1917.307 where: short stacking energy: -756.263 Base-Backbone interact. energy: -2.755 local terms energy: -768.871155 where: bonds (distance) C4'-P energy: -118.824 bonds (distance) P-C4' energy: -152.954 flat angles C4'-P-C4' energy: -160.906 flat angles P-C4'-P energy: -113.234 tors. eta vs tors. theta energy: -222.953 Dist. restrs. and SS energy: 0.000 (S_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: 104 Temperature: 1.000000 Total energy: -2617.596080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.596080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.596080 (E_RNA) where: Base-Base interactions energy: -1859.883 where: short stacking energy: -769.706 Base-Backbone interact. energy: -0.294 local terms energy: -757.419159 where: bonds (distance) C4'-P energy: -119.134 bonds (distance) P-C4' energy: -147.220 flat angles C4'-P-C4' energy: -153.838 flat angles P-C4'-P energy: -107.561 tors. eta vs tors. theta energy: -229.667 Dist. restrs. and SS energy: 0.000 (S_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: 104 Temperature: 1.050000 Total energy: -2603.046631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.046631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.046631 (E_RNA) where: Base-Base interactions energy: -1862.573 where: short stacking energy: -745.984 Base-Backbone interact. energy: 0.005 local terms energy: -740.478643 where: bonds (distance) C4'-P energy: -116.856 bonds (distance) P-C4' energy: -129.798 flat angles C4'-P-C4' energy: -159.048 flat angles P-C4'-P energy: -114.644 tors. eta vs tors. theta energy: -220.133 Dist. restrs. and SS energy: 0.000 (S_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: 104 Temperature: 1.100000 Total energy: -2529.263222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.263222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.263222 (E_RNA) where: Base-Base interactions energy: -1795.749 where: short stacking energy: -712.343 Base-Backbone interact. energy: -1.735 local terms energy: -731.779395 where: bonds (distance) C4'-P energy: -121.261 bonds (distance) P-C4' energy: -145.691 flat angles C4'-P-C4' energy: -149.043 flat angles P-C4'-P energy: -104.885 tors. eta vs tors. theta energy: -210.900 Dist. restrs. and SS energy: 0.000 (S_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: -2519.046808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.046808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.046808 (E_RNA) where: Base-Base interactions energy: -1788.171 where: short stacking energy: -729.639 Base-Backbone interact. energy: -2.844 local terms energy: -728.031965 where: bonds (distance) C4'-P energy: -114.277 bonds (distance) P-C4' energy: -144.949 flat angles C4'-P-C4' energy: -151.768 flat angles P-C4'-P energy: -104.779 tors. eta vs tors. theta energy: -212.259 Dist. restrs. and SS energy: 0.000 (S_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: 104 Temperature: 1.200000 Total energy: -2531.411631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.411631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.411631 (E_RNA) where: Base-Base interactions energy: -1804.348 where: short stacking energy: -725.815 Base-Backbone interact. energy: -2.207 local terms energy: -724.856466 where: bonds (distance) C4'-P energy: -113.063 bonds (distance) P-C4' energy: -142.925 flat angles C4'-P-C4' energy: -151.939 flat angles P-C4'-P energy: -103.343 tors. eta vs tors. theta energy: -213.587 Dist. restrs. and SS energy: 0.000 (S_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: 104 Temperature: 1.250000 Total energy: -2334.761080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.761080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.761080 (E_RNA) where: Base-Base interactions energy: -1660.564 where: short stacking energy: -664.795 Base-Backbone interact. energy: 1.546 local terms energy: -675.743665 where: bonds (distance) C4'-P energy: -111.653 bonds (distance) P-C4' energy: -133.714 flat angles C4'-P-C4' energy: -145.128 flat angles P-C4'-P energy: -95.187 tors. eta vs tors. theta energy: -190.061 Dist. restrs. and SS energy: 0.000 (S_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: 104 Temperature: 1.300000 Total energy: -2237.157197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.157197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.157197 (E_RNA) where: Base-Base interactions energy: -1560.372 where: short stacking energy: -634.536 Base-Backbone interact. energy: -1.155 local terms energy: -675.630538 where: bonds (distance) C4'-P energy: -117.781 bonds (distance) P-C4' energy: -133.703 flat angles C4'-P-C4' energy: -148.355 flat angles P-C4'-P energy: -93.277 tors. eta vs tors. theta energy: -182.514 Dist. restrs. and SS energy: 0.000 (S_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: 104 Temperature: 1.350000 Total energy: -2006.832844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.832844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.832844 (E_RNA) where: Base-Base interactions energy: -1394.071 where: short stacking energy: -569.292 Base-Backbone interact. energy: 0.424 local terms energy: -613.186520 where: bonds (distance) C4'-P energy: -96.901 bonds (distance) P-C4' energy: -129.582 flat angles C4'-P-C4' energy: -138.727 flat angles P-C4'-P energy: -96.784 tors. eta vs tors. theta energy: -151.192 Dist. restrs. and SS energy: 0.000 (S_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: 105 Temperature: 0.900000 Total energy: -2725.189282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.189282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.189282 (E_RNA) where: Base-Base interactions energy: -1945.891 where: short stacking energy: -775.003 Base-Backbone interact. energy: -1.430 local terms energy: -777.868944 where: bonds (distance) C4'-P energy: -129.861 bonds (distance) P-C4' energy: -150.814 flat angles C4'-P-C4' energy: -156.200 flat angles P-C4'-P energy: -116.863 tors. eta vs tors. theta energy: -224.131 Dist. restrs. and SS energy: 0.000 (S_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: -2685.103178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.103178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.103178 (E_RNA) where: Base-Base interactions energy: -1918.243 where: short stacking energy: -754.143 Base-Backbone interact. energy: -1.184 local terms energy: -765.676769 where: bonds (distance) C4'-P energy: -118.483 bonds (distance) P-C4' energy: -140.021 flat angles C4'-P-C4' energy: -159.382 flat angles P-C4'-P energy: -121.120 tors. eta vs tors. theta energy: -226.671 Dist. restrs. and SS energy: 0.000 (S_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: 105 Temperature: 1.000000 Total energy: -2604.536434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.536434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.536434 (E_RNA) where: Base-Base interactions energy: -1848.162 where: short stacking energy: -735.317 Base-Backbone interact. energy: -2.741 local terms energy: -753.632816 where: bonds (distance) C4'-P energy: -115.621 bonds (distance) P-C4' energy: -148.369 flat angles C4'-P-C4' energy: -157.910 flat angles P-C4'-P energy: -105.990 tors. eta vs tors. theta energy: -225.743 Dist. restrs. and SS energy: 0.000 (S_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: 105 Temperature: 1.050000 Total energy: -2613.437392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.437392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.437392 (E_RNA) where: Base-Base interactions energy: -1870.276 where: short stacking energy: -747.380 Base-Backbone interact. energy: 1.221 local terms energy: -744.382322 where: bonds (distance) C4'-P energy: -112.038 bonds (distance) P-C4' energy: -141.105 flat angles C4'-P-C4' energy: -159.891 flat angles P-C4'-P energy: -110.663 tors. eta vs tors. theta energy: -220.685 Dist. restrs. and SS energy: 0.000 (S_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: 105 Temperature: 1.100000 Total energy: -2513.302626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.302626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.302626 (E_RNA) where: Base-Base interactions energy: -1772.449 where: short stacking energy: -736.610 Base-Backbone interact. energy: -0.275 local terms energy: -740.578349 where: bonds (distance) C4'-P energy: -105.442 bonds (distance) P-C4' energy: -150.801 flat angles C4'-P-C4' energy: -156.955 flat angles P-C4'-P energy: -103.848 tors. eta vs tors. theta energy: -223.533 Dist. restrs. and SS energy: 0.000 (S_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: 105 Temperature: 1.150000 Total energy: -2554.897164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.897164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.897164 (E_RNA) where: Base-Base interactions energy: -1819.654 where: short stacking energy: -726.604 Base-Backbone interact. energy: -1.671 local terms energy: -733.571742 where: bonds (distance) C4'-P energy: -100.451 bonds (distance) P-C4' energy: -147.706 flat angles C4'-P-C4' energy: -154.912 flat angles P-C4'-P energy: -103.699 tors. eta vs tors. theta energy: -226.803 Dist. restrs. and SS energy: 0.000 (S_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: -2504.326468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.326468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.326468 (E_RNA) where: Base-Base interactions energy: -1762.149 where: short stacking energy: -718.125 Base-Backbone interact. energy: -0.253 local terms energy: -741.925112 where: bonds (distance) C4'-P energy: -122.564 bonds (distance) P-C4' energy: -139.390 flat angles C4'-P-C4' energy: -154.914 flat angles P-C4'-P energy: -106.696 tors. eta vs tors. theta energy: -218.361 Dist. restrs. and SS energy: 0.000 (S_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: 105 Temperature: 1.250000 Total energy: -2300.474864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.474864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.474864 (E_RNA) where: Base-Base interactions energy: -1618.541 where: short stacking energy: -656.814 Base-Backbone interact. energy: -1.251 local terms energy: -680.682640 where: bonds (distance) C4'-P energy: -102.550 bonds (distance) P-C4' energy: -130.320 flat angles C4'-P-C4' energy: -157.997 flat angles P-C4'-P energy: -96.836 tors. eta vs tors. theta energy: -192.980 Dist. restrs. and SS energy: 0.000 (S_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: 105 Temperature: 1.300000 Total energy: -2340.860844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.860844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.860844 (E_RNA) where: Base-Base interactions energy: -1655.671 where: short stacking energy: -675.736 Base-Backbone interact. energy: -1.927 local terms energy: -683.262828 where: bonds (distance) C4'-P energy: -102.372 bonds (distance) P-C4' energy: -136.536 flat angles C4'-P-C4' energy: -143.934 flat angles P-C4'-P energy: -96.719 tors. eta vs tors. theta energy: -203.702 Dist. restrs. and SS energy: 0.000 (S_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: 105 Temperature: 1.350000 Total energy: -2054.977663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.977663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.977663 (E_RNA) where: Base-Base interactions energy: -1420.720 where: short stacking energy: -604.497 Base-Backbone interact. energy: 0.474 local terms energy: -634.731182 where: bonds (distance) C4'-P energy: -109.447 bonds (distance) P-C4' energy: -122.727 flat angles C4'-P-C4' energy: -132.440 flat angles P-C4'-P energy: -89.299 tors. eta vs tors. theta energy: -180.818 Dist. restrs. and SS energy: 0.000 (S_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: 106 Temperature: 0.900000 Total energy: -2702.212372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.212372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.212372 (E_RNA) where: Base-Base interactions energy: -1925.808 where: short stacking energy: -757.609 Base-Backbone interact. energy: -4.598 local terms energy: -771.805929 where: bonds (distance) C4'-P energy: -122.241 bonds (distance) P-C4' energy: -152.399 flat angles C4'-P-C4' energy: -158.849 flat angles P-C4'-P energy: -114.274 tors. eta vs tors. theta energy: -224.043 Dist. restrs. and SS energy: 0.000 (S_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: 106 Temperature: 0.950000 Total energy: -2663.392303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.392303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.392303 (E_RNA) where: Base-Base interactions energy: -1905.042 where: short stacking energy: -740.000 Base-Backbone interact. energy: -3.698 local terms energy: -754.652256 where: bonds (distance) C4'-P energy: -126.903 bonds (distance) P-C4' energy: -146.440 flat angles C4'-P-C4' energy: -153.882 flat angles P-C4'-P energy: -111.123 tors. eta vs tors. theta energy: -216.305 Dist. restrs. and SS energy: 0.000 (S_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: 106 Temperature: 1.000000 Total energy: -2647.819607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.819607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.819607 (E_RNA) where: Base-Base interactions energy: -1877.662 where: short stacking energy: -748.088 Base-Backbone interact. energy: 1.581 local terms energy: -771.738492 where: bonds (distance) C4'-P energy: -122.020 bonds (distance) P-C4' energy: -146.642 flat angles C4'-P-C4' energy: -162.487 flat angles P-C4'-P energy: -114.157 tors. eta vs tors. theta energy: -226.432 Dist. restrs. and SS energy: 0.000 (S_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: 106 Temperature: 1.050000 Total energy: -2560.860374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.860374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.860374 (E_RNA) where: Base-Base interactions energy: -1822.322 where: short stacking energy: -712.457 Base-Backbone interact. energy: -1.099 local terms energy: -737.438445 where: bonds (distance) C4'-P energy: -115.281 bonds (distance) P-C4' energy: -143.375 flat angles C4'-P-C4' energy: -154.609 flat angles P-C4'-P energy: -106.617 tors. eta vs tors. theta energy: -217.557 Dist. restrs. and SS energy: 0.000 (S_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: 106 Temperature: 1.100000 Total energy: -2589.774072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.774072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.774072 (E_RNA) where: Base-Base interactions energy: -1846.160 where: short stacking energy: -735.612 Base-Backbone interact. energy: -3.111 local terms energy: -740.502645 where: bonds (distance) C4'-P energy: -107.206 bonds (distance) P-C4' energy: -146.109 flat angles C4'-P-C4' energy: -157.349 flat angles P-C4'-P energy: -113.490 tors. eta vs tors. theta energy: -216.349 Dist. restrs. and SS energy: 0.000 (S_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: 106 Temperature: 1.150000 Total energy: -2496.047225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.047225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.047225 (E_RNA) where: Base-Base interactions energy: -1761.952 where: short stacking energy: -706.614 Base-Backbone interact. energy: -0.721 local terms energy: -733.374086 where: bonds (distance) C4'-P energy: -107.725 bonds (distance) P-C4' energy: -141.903 flat angles C4'-P-C4' energy: -157.640 flat angles P-C4'-P energy: -106.932 tors. eta vs tors. theta energy: -219.174 Dist. restrs. and SS energy: 0.000 (S_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: 106 Temperature: 1.200000 Total energy: -2466.563814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.563814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.563814 (E_RNA) where: Base-Base interactions energy: -1780.557 where: short stacking energy: -701.217 Base-Backbone interact. energy: -2.371 local terms energy: -683.635477 where: bonds (distance) C4'-P energy: -92.340 bonds (distance) P-C4' energy: -150.497 flat angles C4'-P-C4' energy: -144.339 flat angles P-C4'-P energy: -85.754 tors. eta vs tors. theta energy: -210.705 Dist. restrs. and SS energy: 0.000 (S_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: 106 Temperature: 1.250000 Total energy: -2299.311515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.311515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.311515 (E_RNA) where: Base-Base interactions energy: -1626.344 where: short stacking energy: -650.000 Base-Backbone interact. energy: -1.801 local terms energy: -671.166959 where: bonds (distance) C4'-P energy: -109.057 bonds (distance) P-C4' energy: -126.240 flat angles C4'-P-C4' energy: -138.131 flat angles P-C4'-P energy: -102.411 tors. eta vs tors. theta energy: -195.328 Dist. restrs. and SS energy: 0.000 (S_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: -2350.927493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.927493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.927493 (E_RNA) where: Base-Base interactions energy: -1653.402 where: short stacking energy: -666.573 Base-Backbone interact. energy: -0.119 local terms energy: -697.406861 where: bonds (distance) C4'-P energy: -112.319 bonds (distance) P-C4' energy: -142.552 flat angles C4'-P-C4' energy: -149.796 flat angles P-C4'-P energy: -99.421 tors. eta vs tors. theta energy: -193.320 Dist. restrs. and SS energy: 0.000 (S_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: 106 Temperature: 1.350000 Total energy: -2097.534421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.534421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.534421 (E_RNA) where: Base-Base interactions energy: -1441.318 where: short stacking energy: -585.835 Base-Backbone interact. energy: 2.807 local terms energy: -659.023479 where: bonds (distance) C4'-P energy: -119.668 bonds (distance) P-C4' energy: -138.940 flat angles C4'-P-C4' energy: -135.874 flat angles P-C4'-P energy: -92.280 tors. eta vs tors. theta energy: -172.261 Dist. restrs. and SS energy: 0.000 (S_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: 107 Temperature: 0.900000 Total energy: -2730.354562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.354562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.354562 (E_RNA) where: Base-Base interactions energy: -1949.951 where: short stacking energy: -760.933 Base-Backbone interact. energy: -2.197 local terms energy: -778.206637 where: bonds (distance) C4'-P energy: -127.474 bonds (distance) P-C4' energy: -156.907 flat angles C4'-P-C4' energy: -162.155 flat angles P-C4'-P energy: -103.731 tors. eta vs tors. theta energy: -227.940 Dist. restrs. and SS energy: 0.000 (S_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: 107 Temperature: 0.950000 Total energy: -2650.384660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.384660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.384660 (E_RNA) where: Base-Base interactions energy: -1883.303 where: short stacking energy: -757.201 Base-Backbone interact. energy: -3.252 local terms energy: -763.829560 where: bonds (distance) C4'-P energy: -109.963 bonds (distance) P-C4' energy: -153.764 flat angles C4'-P-C4' energy: -162.841 flat angles P-C4'-P energy: -113.894 tors. eta vs tors. theta energy: -223.367 Dist. restrs. and SS energy: 0.000 (S_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: 107 Temperature: 1.000000 Total energy: -2647.628561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.628561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.628561 (E_RNA) where: Base-Base interactions energy: -1867.098 where: short stacking energy: -747.936 Base-Backbone interact. energy: -1.123 local terms energy: -779.407360 where: bonds (distance) C4'-P energy: -115.440 bonds (distance) P-C4' energy: -165.283 flat angles C4'-P-C4' energy: -162.383 flat angles P-C4'-P energy: -115.685 tors. eta vs tors. theta energy: -220.616 Dist. restrs. and SS energy: 0.000 (S_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: 107 Temperature: 1.050000 Total energy: -2600.935535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.935535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.935535 (E_RNA) where: Base-Base interactions energy: -1825.276 where: short stacking energy: -726.580 Base-Backbone interact. energy: -2.894 local terms energy: -772.765674 where: bonds (distance) C4'-P energy: -119.520 bonds (distance) P-C4' energy: -154.535 flat angles C4'-P-C4' energy: -158.078 flat angles P-C4'-P energy: -119.653 tors. eta vs tors. theta energy: -220.979 Dist. restrs. and SS energy: 0.000 (S_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: 107 Temperature: 1.100000 Total energy: -2562.562929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.562929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.562929 (E_RNA) where: Base-Base interactions energy: -1811.992 where: short stacking energy: -736.248 Base-Backbone interact. energy: -1.635 local terms energy: -748.935607 where: bonds (distance) C4'-P energy: -124.280 bonds (distance) P-C4' energy: -141.737 flat angles C4'-P-C4' energy: -154.572 flat angles P-C4'-P energy: -107.172 tors. eta vs tors. theta energy: -221.175 Dist. restrs. and SS energy: 0.000 (S_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: -2504.610351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.610351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.610351 (E_RNA) where: Base-Base interactions energy: -1779.814 where: short stacking energy: -725.240 Base-Backbone interact. energy: -1.411 local terms energy: -723.385897 where: bonds (distance) C4'-P energy: -109.503 bonds (distance) P-C4' energy: -135.280 flat angles C4'-P-C4' energy: -161.714 flat angles P-C4'-P energy: -97.694 tors. eta vs tors. theta energy: -219.195 Dist. restrs. and SS energy: 0.000 (S_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: 107 Temperature: 1.200000 Total energy: -2488.321624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.321624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.321624 (E_RNA) where: Base-Base interactions energy: -1790.051 where: short stacking energy: -701.693 Base-Backbone interact. energy: -2.555 local terms energy: -695.715770 where: bonds (distance) C4'-P energy: -99.979 bonds (distance) P-C4' energy: -150.715 flat angles C4'-P-C4' energy: -144.800 flat angles P-C4'-P energy: -97.861 tors. eta vs tors. theta energy: -202.361 Dist. restrs. and SS energy: 0.000 (S_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: -2381.881742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.881742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.881742 (E_RNA) where: Base-Base interactions energy: -1678.416 where: short stacking energy: -689.163 Base-Backbone interact. energy: -1.762 local terms energy: -701.703879 where: bonds (distance) C4'-P energy: -116.698 bonds (distance) P-C4' energy: -132.566 flat angles C4'-P-C4' energy: -144.092 flat angles P-C4'-P energy: -104.874 tors. eta vs tors. theta energy: -203.474 Dist. restrs. and SS energy: 0.000 (S_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: 107 Temperature: 1.300000 Total energy: -2251.224310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.224310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.224310 (E_RNA) where: Base-Base interactions energy: -1564.373 where: short stacking energy: -637.677 Base-Backbone interact. energy: -1.978 local terms energy: -684.872951 where: bonds (distance) C4'-P energy: -109.002 bonds (distance) P-C4' energy: -141.842 flat angles C4'-P-C4' energy: -143.481 flat angles P-C4'-P energy: -98.748 tors. eta vs tors. theta energy: -191.800 Dist. restrs. and SS energy: 0.000 (S_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: 107 Temperature: 1.350000 Total energy: -2055.383058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.383058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.383058 (E_RNA) where: Base-Base interactions energy: -1418.687 where: short stacking energy: -582.631 Base-Backbone interact. energy: 0.442 local terms energy: -637.138376 where: bonds (distance) C4'-P energy: -110.697 bonds (distance) P-C4' energy: -140.789 flat angles C4'-P-C4' energy: -129.961 flat angles P-C4'-P energy: -86.076 tors. eta vs tors. theta energy: -169.616 Dist. restrs. and SS energy: 0.000 (S_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: -2736.978943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.978943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.978943 (E_RNA) where: Base-Base interactions energy: -1950.719 where: short stacking energy: -775.401 Base-Backbone interact. energy: -2.113 local terms energy: -784.147020 where: bonds (distance) C4'-P energy: -136.410 bonds (distance) P-C4' energy: -152.564 flat angles C4'-P-C4' energy: -166.329 flat angles P-C4'-P energy: -110.241 tors. eta vs tors. theta energy: -218.603 Dist. restrs. and SS energy: 0.000 (S_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: 108 Temperature: 0.950000 Total energy: -2658.183349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.183349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.183349 (E_RNA) where: Base-Base interactions energy: -1912.003 where: short stacking energy: -749.407 Base-Backbone interact. energy: 1.188 local terms energy: -747.368665 where: bonds (distance) C4'-P energy: -113.794 bonds (distance) P-C4' energy: -144.476 flat angles C4'-P-C4' energy: -157.125 flat angles P-C4'-P energy: -111.870 tors. eta vs tors. theta energy: -220.103 Dist. restrs. and SS energy: 0.000 (S_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: 108 Temperature: 1.000000 Total energy: -2604.476665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.476665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.476665 (E_RNA) where: Base-Base interactions energy: -1849.439 where: short stacking energy: -751.124 Base-Backbone interact. energy: -3.497 local terms energy: -751.541354 where: bonds (distance) C4'-P energy: -120.959 bonds (distance) P-C4' energy: -134.932 flat angles C4'-P-C4' energy: -157.210 flat angles P-C4'-P energy: -110.447 tors. eta vs tors. theta energy: -227.994 Dist. restrs. and SS energy: 0.000 (S_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: 108 Temperature: 1.050000 Total energy: -2620.886929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.886929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.886929 (E_RNA) where: Base-Base interactions energy: -1876.245 where: short stacking energy: -747.576 Base-Backbone interact. energy: 0.928 local terms energy: -745.569834 where: bonds (distance) C4'-P energy: -113.579 bonds (distance) P-C4' energy: -141.620 flat angles C4'-P-C4' energy: -155.994 flat angles P-C4'-P energy: -115.659 tors. eta vs tors. theta energy: -218.717 Dist. restrs. and SS energy: 0.000 (S_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: 108 Temperature: 1.100000 Total energy: -2546.834715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.834715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.834715 (E_RNA) where: Base-Base interactions energy: -1821.302 where: short stacking energy: -714.134 Base-Backbone interact. energy: 0.307 local terms energy: -725.840135 where: bonds (distance) C4'-P energy: -126.693 bonds (distance) P-C4' energy: -126.155 flat angles C4'-P-C4' energy: -148.066 flat angles P-C4'-P energy: -101.205 tors. eta vs tors. theta energy: -223.722 Dist. restrs. and SS energy: 0.000 (S_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: 108 Temperature: 1.150000 Total energy: -2536.532984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.532984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.532984 (E_RNA) where: Base-Base interactions energy: -1797.238 where: short stacking energy: -729.579 Base-Backbone interact. energy: -0.971 local terms energy: -738.324420 where: bonds (distance) C4'-P energy: -103.913 bonds (distance) P-C4' energy: -139.307 flat angles C4'-P-C4' energy: -157.638 flat angles P-C4'-P energy: -114.804 tors. eta vs tors. theta energy: -222.662 Dist. restrs. and SS energy: 0.000 (S_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: 108 Temperature: 1.200000 Total energy: -2541.743684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.743684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.743684 (E_RNA) where: Base-Base interactions energy: -1828.834 where: short stacking energy: -728.367 Base-Backbone interact. energy: -1.679 local terms energy: -711.229954 where: bonds (distance) C4'-P energy: -100.591 bonds (distance) P-C4' energy: -148.216 flat angles C4'-P-C4' energy: -153.453 flat angles P-C4'-P energy: -89.938 tors. eta vs tors. theta energy: -219.032 Dist. restrs. and SS energy: 0.000 (S_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: 108 Temperature: 1.250000 Total energy: -2338.255580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.255580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.255580 (E_RNA) where: Base-Base interactions energy: -1645.464 where: short stacking energy: -667.415 Base-Backbone interact. energy: 1.593 local terms energy: -694.384347 where: bonds (distance) C4'-P energy: -106.328 bonds (distance) P-C4' energy: -140.516 flat angles C4'-P-C4' energy: -149.321 flat angles P-C4'-P energy: -101.042 tors. eta vs tors. theta energy: -197.177 Dist. restrs. and SS energy: 0.000 (S_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: -2274.376998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.376998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.376998 (E_RNA) where: Base-Base interactions energy: -1602.666 where: short stacking energy: -647.956 Base-Backbone interact. energy: -1.698 local terms energy: -670.012175 where: bonds (distance) C4'-P energy: -108.180 bonds (distance) P-C4' energy: -126.984 flat angles C4'-P-C4' energy: -148.112 flat angles P-C4'-P energy: -98.719 tors. eta vs tors. theta energy: -188.018 Dist. restrs. and SS energy: 0.000 (S_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: 108 Temperature: 1.350000 Total energy: -2080.469949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.469949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.469949 (E_RNA) where: Base-Base interactions energy: -1457.862 where: short stacking energy: -594.398 Base-Backbone interact. energy: -2.376 local terms energy: -620.231955 where: bonds (distance) C4'-P energy: -111.087 bonds (distance) P-C4' energy: -128.928 flat angles C4'-P-C4' energy: -134.295 flat angles P-C4'-P energy: -74.688 tors. eta vs tors. theta energy: -171.233 Dist. restrs. and SS energy: 0.000 (S_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: -2724.288030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.288030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.288030 (E_RNA) where: Base-Base interactions energy: -1938.452 where: short stacking energy: -768.441 Base-Backbone interact. energy: -3.051 local terms energy: -782.785428 where: bonds (distance) C4'-P energy: -126.615 bonds (distance) P-C4' energy: -158.794 flat angles C4'-P-C4' energy: -162.968 flat angles P-C4'-P energy: -108.666 tors. eta vs tors. theta energy: -225.743 Dist. restrs. and SS energy: 0.000 (S_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: 109 Temperature: 0.950000 Total energy: -2663.363480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.363480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.363480 (E_RNA) where: Base-Base interactions energy: -1885.500 where: short stacking energy: -755.289 Base-Backbone interact. energy: 1.181 local terms energy: -779.045097 where: bonds (distance) C4'-P energy: -124.113 bonds (distance) P-C4' energy: -155.890 flat angles C4'-P-C4' energy: -159.627 flat angles P-C4'-P energy: -114.176 tors. eta vs tors. theta energy: -225.239 Dist. restrs. and SS energy: 0.000 (S_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: -2640.546238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.546238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.546238 (E_RNA) where: Base-Base interactions energy: -1879.988 where: short stacking energy: -762.336 Base-Backbone interact. energy: -1.465 local terms energy: -759.093131 where: bonds (distance) C4'-P energy: -118.672 bonds (distance) P-C4' energy: -157.903 flat angles C4'-P-C4' energy: -157.842 flat angles P-C4'-P energy: -102.332 tors. eta vs tors. theta energy: -222.345 Dist. restrs. and SS energy: 0.000 (S_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: 109 Temperature: 1.050000 Total energy: -2613.625863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.625863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.625863 (E_RNA) where: Base-Base interactions energy: -1860.830 where: short stacking energy: -739.335 Base-Backbone interact. energy: -0.968 local terms energy: -751.828102 where: bonds (distance) C4'-P energy: -125.505 bonds (distance) P-C4' energy: -141.248 flat angles C4'-P-C4' energy: -157.430 flat angles P-C4'-P energy: -100.149 tors. eta vs tors. theta energy: -227.496 Dist. restrs. and SS energy: 0.000 (S_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: -2549.654453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.654453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.654453 (E_RNA) where: Base-Base interactions energy: -1810.742 where: short stacking energy: -728.172 Base-Backbone interact. energy: -1.651 local terms energy: -737.262088 where: bonds (distance) C4'-P energy: -117.082 bonds (distance) P-C4' energy: -143.182 flat angles C4'-P-C4' energy: -160.443 flat angles P-C4'-P energy: -94.936 tors. eta vs tors. theta energy: -221.620 Dist. restrs. and SS energy: 0.000 (S_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: 109 Temperature: 1.150000 Total energy: -2502.579149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.579149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.579149 (E_RNA) where: Base-Base interactions energy: -1771.169 where: short stacking energy: -704.589 Base-Backbone interact. energy: -1.698 local terms energy: -729.712345 where: bonds (distance) C4'-P energy: -117.782 bonds (distance) P-C4' energy: -137.602 flat angles C4'-P-C4' energy: -156.592 flat angles P-C4'-P energy: -104.816 tors. eta vs tors. theta energy: -212.921 Dist. restrs. and SS energy: 0.000 (S_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: 109 Temperature: 1.200000 Total energy: -2498.094146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.094146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.094146 (E_RNA) where: Base-Base interactions energy: -1779.402 where: short stacking energy: -715.823 Base-Backbone interact. energy: -1.782 local terms energy: -716.909743 where: bonds (distance) C4'-P energy: -102.304 bonds (distance) P-C4' energy: -144.714 flat angles C4'-P-C4' energy: -153.431 flat angles P-C4'-P energy: -103.174 tors. eta vs tors. theta energy: -213.287 Dist. restrs. and SS energy: 0.000 (S_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: 109 Temperature: 1.250000 Total energy: -2359.611238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.611238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.611238 (E_RNA) where: Base-Base interactions energy: -1644.039 where: short stacking energy: -658.970 Base-Backbone interact. energy: -2.586 local terms energy: -712.985824 where: bonds (distance) C4'-P energy: -122.141 bonds (distance) P-C4' energy: -144.439 flat angles C4'-P-C4' energy: -149.729 flat angles P-C4'-P energy: -97.152 tors. eta vs tors. theta energy: -199.525 Dist. restrs. and SS energy: 0.000 (S_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: 109 Temperature: 1.300000 Total energy: -2279.003024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.003024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.003024 (E_RNA) where: Base-Base interactions energy: -1602.794 where: short stacking energy: -653.542 Base-Backbone interact. energy: -0.533 local terms energy: -675.676322 where: bonds (distance) C4'-P energy: -114.024 bonds (distance) P-C4' energy: -128.866 flat angles C4'-P-C4' energy: -141.321 flat angles P-C4'-P energy: -100.607 tors. eta vs tors. theta energy: -190.858 Dist. restrs. and SS energy: 0.000 (S_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: 109 Temperature: 1.350000 Total energy: -2081.205235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.205235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.205235 (E_RNA) where: Base-Base interactions energy: -1449.202 where: short stacking energy: -616.075 Base-Backbone interact. energy: 0.849 local terms energy: -632.851596 where: bonds (distance) C4'-P energy: -94.966 bonds (distance) P-C4' energy: -142.357 flat angles C4'-P-C4' energy: -142.214 flat angles P-C4'-P energy: -88.258 tors. eta vs tors. theta energy: -165.057 Dist. restrs. and SS energy: 0.000 (S_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: 110 Temperature: 0.900000 Total energy: -2725.978783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.978783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.978783 (E_RNA) where: Base-Base interactions energy: -1955.937 where: short stacking energy: -767.707 Base-Backbone interact. energy: -0.743 local terms energy: -769.298712 where: bonds (distance) C4'-P energy: -115.080 bonds (distance) P-C4' energy: -157.844 flat angles C4'-P-C4' energy: -155.264 flat angles P-C4'-P energy: -110.931 tors. eta vs tors. theta energy: -230.180 Dist. restrs. and SS energy: 0.000 (S_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: 110 Temperature: 0.950000 Total energy: -2674.978347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.978347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.978347 (E_RNA) where: Base-Base interactions energy: -1898.293 where: short stacking energy: -745.920 Base-Backbone interact. energy: -2.224 local terms energy: -774.461053 where: bonds (distance) C4'-P energy: -127.124 bonds (distance) P-C4' energy: -145.933 flat angles C4'-P-C4' energy: -166.387 flat angles P-C4'-P energy: -114.472 tors. eta vs tors. theta energy: -220.544 Dist. restrs. and SS energy: 0.000 (S_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: 110 Temperature: 1.000000 Total energy: -2635.453125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.453125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.453125 (E_RNA) where: Base-Base interactions energy: -1880.092 where: short stacking energy: -737.148 Base-Backbone interact. energy: -1.524 local terms energy: -753.837194 where: bonds (distance) C4'-P energy: -104.341 bonds (distance) P-C4' energy: -147.206 flat angles C4'-P-C4' energy: -162.406 flat angles P-C4'-P energy: -119.491 tors. eta vs tors. theta energy: -220.393 Dist. restrs. and SS energy: 0.000 (S_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: -2607.416651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.416651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.416651 (E_RNA) where: Base-Base interactions energy: -1853.843 where: short stacking energy: -743.608 Base-Backbone interact. energy: -2.803 local terms energy: -750.770186 where: bonds (distance) C4'-P energy: -112.145 bonds (distance) P-C4' energy: -146.657 flat angles C4'-P-C4' energy: -160.149 flat angles P-C4'-P energy: -104.406 tors. eta vs tors. theta energy: -227.414 Dist. restrs. and SS energy: 0.000 (S_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: 110 Temperature: 1.100000 Total energy: -2532.092209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.092209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.092209 (E_RNA) where: Base-Base interactions energy: -1797.418 where: short stacking energy: -719.237 Base-Backbone interact. energy: -0.937 local terms energy: -733.737197 where: bonds (distance) C4'-P energy: -113.712 bonds (distance) P-C4' energy: -140.828 flat angles C4'-P-C4' energy: -152.766 flat angles P-C4'-P energy: -112.731 tors. eta vs tors. theta energy: -213.701 Dist. restrs. and SS energy: 0.000 (S_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: 110 Temperature: 1.150000 Total energy: -2486.863290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.863290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.863290 (E_RNA) where: Base-Base interactions energy: -1755.726 where: short stacking energy: -714.867 Base-Backbone interact. energy: -2.690 local terms energy: -728.447484 where: bonds (distance) C4'-P energy: -120.356 bonds (distance) P-C4' energy: -141.867 flat angles C4'-P-C4' energy: -151.126 flat angles P-C4'-P energy: -103.808 tors. eta vs tors. theta energy: -211.289 Dist. restrs. and SS energy: 0.000 (S_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: 110 Temperature: 1.200000 Total energy: -2490.665412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.665412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.665412 (E_RNA) where: Base-Base interactions energy: -1782.208 where: short stacking energy: -708.775 Base-Backbone interact. energy: 0.543 local terms energy: -709.000020 where: bonds (distance) C4'-P energy: -109.426 bonds (distance) P-C4' energy: -141.078 flat angles C4'-P-C4' energy: -155.811 flat angles P-C4'-P energy: -93.385 tors. eta vs tors. theta energy: -209.300 Dist. restrs. and SS energy: 0.000 (S_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: 110 Temperature: 1.250000 Total energy: -2345.886074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.886074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.886074 (E_RNA) where: Base-Base interactions energy: -1659.106 where: short stacking energy: -663.733 Base-Backbone interact. energy: -0.235 local terms energy: -686.545229 where: bonds (distance) C4'-P energy: -92.123 bonds (distance) P-C4' energy: -140.859 flat angles C4'-P-C4' energy: -155.395 flat angles P-C4'-P energy: -104.757 tors. eta vs tors. theta energy: -193.411 Dist. restrs. and SS energy: 0.000 (S_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: 110 Temperature: 1.300000 Total energy: -2252.398924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.398924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.398924 (E_RNA) where: Base-Base interactions energy: -1559.335 where: short stacking energy: -649.130 Base-Backbone interact. energy: -1.201 local terms energy: -691.862053 where: bonds (distance) C4'-P energy: -116.964 bonds (distance) P-C4' energy: -134.725 flat angles C4'-P-C4' energy: -148.033 flat angles P-C4'-P energy: -95.630 tors. eta vs tors. theta energy: -196.510 Dist. restrs. and SS energy: 0.000 (S_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: 110 Temperature: 1.350000 Total energy: -2105.005881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.005881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.005881 (E_RNA) where: Base-Base interactions energy: -1482.975 where: short stacking energy: -608.347 Base-Backbone interact. energy: -2.774 local terms energy: -619.256997 where: bonds (distance) C4'-P energy: -88.677 bonds (distance) P-C4' energy: -130.532 flat angles C4'-P-C4' energy: -135.903 flat angles P-C4'-P energy: -91.948 tors. eta vs tors. theta energy: -172.198 Dist. restrs. and SS energy: 0.000 (S_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: 111 Temperature: 0.900000 Total energy: -2723.434486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.434486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.434486 (E_RNA) where: Base-Base interactions energy: -1947.132 where: short stacking energy: -770.180 Base-Backbone interact. energy: -1.064 local terms energy: -775.238519 where: bonds (distance) C4'-P energy: -115.696 bonds (distance) P-C4' energy: -156.904 flat angles C4'-P-C4' energy: -161.876 flat angles P-C4'-P energy: -112.819 tors. eta vs tors. theta energy: -227.944 Dist. restrs. and SS energy: 0.000 (S_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: 111 Temperature: 0.950000 Total energy: -2687.064646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.064646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.064646 (E_RNA) where: Base-Base interactions energy: -1925.115 where: short stacking energy: -748.972 Base-Backbone interact. energy: 2.348 local terms energy: -764.297647 where: bonds (distance) C4'-P energy: -110.046 bonds (distance) P-C4' energy: -160.528 flat angles C4'-P-C4' energy: -161.395 flat angles P-C4'-P energy: -106.334 tors. eta vs tors. theta energy: -225.995 Dist. restrs. and SS energy: 0.000 (S_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: 111 Temperature: 1.000000 Total energy: -2648.145339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.145339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.145339 (E_RNA) where: Base-Base interactions energy: -1896.521 where: short stacking energy: -759.802 Base-Backbone interact. energy: 0.363 local terms energy: -751.987170 where: bonds (distance) C4'-P energy: -114.958 bonds (distance) P-C4' energy: -139.778 flat angles C4'-P-C4' energy: -166.638 flat angles P-C4'-P energy: -104.635 tors. eta vs tors. theta energy: -225.978 Dist. restrs. and SS energy: 0.000 (S_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: 111 Temperature: 1.050000 Total energy: -2585.903637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.903637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.903637 (E_RNA) where: Base-Base interactions energy: -1854.699 where: short stacking energy: -731.440 Base-Backbone interact. energy: -1.757 local terms energy: -729.446936 where: bonds (distance) C4'-P energy: -120.244 bonds (distance) P-C4' energy: -143.920 flat angles C4'-P-C4' energy: -151.212 flat angles P-C4'-P energy: -94.371 tors. eta vs tors. theta energy: -219.700 Dist. restrs. and SS energy: 0.000 (S_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: 111 Temperature: 1.100000 Total energy: -2538.310773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.310773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.310773 (E_RNA) where: Base-Base interactions energy: -1808.065 where: short stacking energy: -715.614 Base-Backbone interact. energy: -0.231 local terms energy: -730.014806 where: bonds (distance) C4'-P energy: -116.866 bonds (distance) P-C4' energy: -140.520 flat angles C4'-P-C4' energy: -156.541 flat angles P-C4'-P energy: -100.494 tors. eta vs tors. theta energy: -215.594 Dist. restrs. and SS energy: 0.000 (S_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: 111 Temperature: 1.150000 Total energy: -2535.092912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.092912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.092912 (E_RNA) where: Base-Base interactions energy: -1812.816 where: short stacking energy: -714.421 Base-Backbone interact. energy: -1.708 local terms energy: -720.568888 where: bonds (distance) C4'-P energy: -113.564 bonds (distance) P-C4' energy: -135.428 flat angles C4'-P-C4' energy: -155.904 flat angles P-C4'-P energy: -101.640 tors. eta vs tors. theta energy: -214.033 Dist. restrs. and SS energy: 0.000 (S_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: 111 Temperature: 1.200000 Total energy: -2407.576616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.576616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.576616 (E_RNA) where: Base-Base interactions energy: -1706.585 where: short stacking energy: -689.830 Base-Backbone interact. energy: -0.850 local terms energy: -700.141352 where: bonds (distance) C4'-P energy: -95.920 bonds (distance) P-C4' energy: -146.963 flat angles C4'-P-C4' energy: -153.951 flat angles P-C4'-P energy: -98.569 tors. eta vs tors. theta energy: -204.738 Dist. restrs. and SS energy: 0.000 (S_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: 111 Temperature: 1.250000 Total energy: -2348.116249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.116249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.116249 (E_RNA) where: Base-Base interactions energy: -1667.773 where: short stacking energy: -669.689 Base-Backbone interact. energy: -2.554 local terms energy: -677.789080 where: bonds (distance) C4'-P energy: -105.992 bonds (distance) P-C4' energy: -148.499 flat angles C4'-P-C4' energy: -142.293 flat angles P-C4'-P energy: -89.754 tors. eta vs tors. theta energy: -191.251 Dist. restrs. and SS energy: 0.000 (S_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: 111 Temperature: 1.300000 Total energy: -2237.433506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.433506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.433506 (E_RNA) where: Base-Base interactions energy: -1561.435 where: short stacking energy: -632.974 Base-Backbone interact. energy: -0.917 local terms energy: -675.081377 where: bonds (distance) C4'-P energy: -111.624 bonds (distance) P-C4' energy: -147.044 flat angles C4'-P-C4' energy: -147.875 flat angles P-C4'-P energy: -91.990 tors. eta vs tors. theta energy: -176.548 Dist. restrs. and SS energy: 0.000 (S_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: 111 Temperature: 1.350000 Total energy: -2106.011612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.011612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.011612 (E_RNA) where: Base-Base interactions energy: -1490.755 where: short stacking energy: -612.622 Base-Backbone interact. energy: -0.168 local terms energy: -615.088049 where: bonds (distance) C4'-P energy: -106.511 bonds (distance) P-C4' energy: -117.673 flat angles C4'-P-C4' energy: -133.468 flat angles P-C4'-P energy: -84.322 tors. eta vs tors. theta energy: -173.115 Dist. restrs. and SS energy: 0.000 (S_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: 112 Temperature: 0.900000 Total energy: -2733.834542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.834542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.834542 (E_RNA) where: Base-Base interactions energy: -1967.025 where: short stacking energy: -774.901 Base-Backbone interact. energy: -2.100 local terms energy: -764.710238 where: bonds (distance) C4'-P energy: -113.267 bonds (distance) P-C4' energy: -151.128 flat angles C4'-P-C4' energy: -162.515 flat angles P-C4'-P energy: -112.839 tors. eta vs tors. theta energy: -224.960 Dist. restrs. and SS energy: 0.000 (S_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: 112 Temperature: 0.950000 Total energy: -2688.057026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.057026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.057026 (E_RNA) where: Base-Base interactions energy: -1913.451 where: short stacking energy: -751.393 Base-Backbone interact. energy: -3.195 local terms energy: -771.410710 where: bonds (distance) C4'-P energy: -119.763 bonds (distance) P-C4' energy: -157.832 flat angles C4'-P-C4' energy: -159.221 flat angles P-C4'-P energy: -108.983 tors. eta vs tors. theta energy: -225.612 Dist. restrs. and SS energy: 0.000 (S_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: 112 Temperature: 1.000000 Total energy: -2655.356300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.356300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.356300 (E_RNA) where: Base-Base interactions energy: -1888.413 where: short stacking energy: -738.480 Base-Backbone interact. energy: -2.520 local terms energy: -764.423299 where: bonds (distance) C4'-P energy: -114.573 bonds (distance) P-C4' energy: -154.530 flat angles C4'-P-C4' energy: -162.846 flat angles P-C4'-P energy: -114.807 tors. eta vs tors. theta energy: -217.668 Dist. restrs. and SS energy: 0.000 (S_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: 112 Temperature: 1.050000 Total energy: -2618.501202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.501202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.501202 (E_RNA) where: Base-Base interactions energy: -1865.316 where: short stacking energy: -748.570 Base-Backbone interact. energy: -3.151 local terms energy: -750.035038 where: bonds (distance) C4'-P energy: -117.640 bonds (distance) P-C4' energy: -153.115 flat angles C4'-P-C4' energy: -158.066 flat angles P-C4'-P energy: -106.319 tors. eta vs tors. theta energy: -214.895 Dist. restrs. and SS energy: 0.000 (S_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: 112 Temperature: 1.100000 Total energy: -2546.609128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.609128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.609128 (E_RNA) where: Base-Base interactions energy: -1811.097 where: short stacking energy: -722.238 Base-Backbone interact. energy: -0.456 local terms energy: -735.056595 where: bonds (distance) C4'-P energy: -116.320 bonds (distance) P-C4' energy: -150.410 flat angles C4'-P-C4' energy: -149.309 flat angles P-C4'-P energy: -101.475 tors. eta vs tors. theta energy: -217.543 Dist. restrs. and SS energy: 0.000 (S_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: 112 Temperature: 1.150000 Total energy: -2529.514416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.514416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.514416 (E_RNA) where: Base-Base interactions energy: -1801.338 where: short stacking energy: -710.354 Base-Backbone interact. energy: -0.816 local terms energy: -727.360914 where: bonds (distance) C4'-P energy: -99.047 bonds (distance) P-C4' energy: -146.211 flat angles C4'-P-C4' energy: -154.419 flat angles P-C4'-P energy: -108.322 tors. eta vs tors. theta energy: -219.362 Dist. restrs. and SS energy: 0.000 (S_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: 112 Temperature: 1.200000 Total energy: -2454.404127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.404127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.404127 (E_RNA) where: Base-Base interactions energy: -1742.133 where: short stacking energy: -705.841 Base-Backbone interact. energy: -0.182 local terms energy: -712.089130 where: bonds (distance) C4'-P energy: -105.358 bonds (distance) P-C4' energy: -140.607 flat angles C4'-P-C4' energy: -145.643 flat angles P-C4'-P energy: -109.641 tors. eta vs tors. theta energy: -210.839 Dist. restrs. and SS energy: 0.000 (S_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: 112 Temperature: 1.250000 Total energy: -2358.688727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.688727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.688727 (E_RNA) where: Base-Base interactions energy: -1660.487 where: short stacking energy: -677.634 Base-Backbone interact. energy: -1.698 local terms energy: -696.504066 where: bonds (distance) C4'-P energy: -110.805 bonds (distance) P-C4' energy: -140.400 flat angles C4'-P-C4' energy: -154.528 flat angles P-C4'-P energy: -100.533 tors. eta vs tors. theta energy: -190.238 Dist. restrs. and SS energy: 0.000 (S_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: 112 Temperature: 1.300000 Total energy: -2229.224627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.224627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.224627 (E_RNA) where: Base-Base interactions energy: -1551.475 where: short stacking energy: -641.625 Base-Backbone interact. energy: -1.391 local terms energy: -676.358567 where: bonds (distance) C4'-P energy: -116.420 bonds (distance) P-C4' energy: -139.983 flat angles C4'-P-C4' energy: -144.137 flat angles P-C4'-P energy: -81.959 tors. eta vs tors. theta energy: -193.859 Dist. restrs. and SS energy: 0.000 (S_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: 112 Temperature: 1.350000 Total energy: -2087.928917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.928917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.928917 (E_RNA) where: Base-Base interactions energy: -1454.959 where: short stacking energy: -608.364 Base-Backbone interact. energy: -1.397 local terms energy: -631.573289 where: bonds (distance) C4'-P energy: -105.173 bonds (distance) P-C4' energy: -122.379 flat angles C4'-P-C4' energy: -148.323 flat angles P-C4'-P energy: -85.191 tors. eta vs tors. theta energy: -170.507 Dist. restrs. and SS energy: 0.000 (S_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: 113 Temperature: 0.900000 Total energy: -2732.399701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.399701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.399701 (E_RNA) where: Base-Base interactions energy: -1943.886 where: short stacking energy: -761.215 Base-Backbone interact. energy: -4.006 local terms energy: -784.507968 where: bonds (distance) C4'-P energy: -121.644 bonds (distance) P-C4' energy: -157.245 flat angles C4'-P-C4' energy: -166.470 flat angles P-C4'-P energy: -114.558 tors. eta vs tors. theta energy: -224.592 Dist. restrs. and SS energy: 0.000 (S_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: 113 Temperature: 0.950000 Total energy: -2680.491892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.491892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.491892 (E_RNA) where: Base-Base interactions energy: -1907.041 where: short stacking energy: -760.376 Base-Backbone interact. energy: -1.990 local terms energy: -771.461277 where: bonds (distance) C4'-P energy: -115.599 bonds (distance) P-C4' energy: -160.234 flat angles C4'-P-C4' energy: -160.195 flat angles P-C4'-P energy: -107.390 tors. eta vs tors. theta energy: -228.042 Dist. restrs. and SS energy: 0.000 (S_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: 113 Temperature: 1.000000 Total energy: -2639.039212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.039212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.039212 (E_RNA) where: Base-Base interactions energy: -1879.519 where: short stacking energy: -758.138 Base-Backbone interact. energy: -1.006 local terms energy: -758.514833 where: bonds (distance) C4'-P energy: -122.132 bonds (distance) P-C4' energy: -154.141 flat angles C4'-P-C4' energy: -145.539 flat angles P-C4'-P energy: -109.459 tors. eta vs tors. theta energy: -227.243 Dist. restrs. and SS energy: 0.000 (S_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: 113 Temperature: 1.050000 Total energy: -2591.088729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.088729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.088729 (E_RNA) where: Base-Base interactions energy: -1849.134 where: short stacking energy: -736.250 Base-Backbone interact. energy: -0.313 local terms energy: -741.641740 where: bonds (distance) C4'-P energy: -124.481 bonds (distance) P-C4' energy: -133.118 flat angles C4'-P-C4' energy: -156.623 flat angles P-C4'-P energy: -107.384 tors. eta vs tors. theta energy: -220.036 Dist. restrs. and SS energy: 0.000 (S_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: 113 Temperature: 1.100000 Total energy: -2553.197197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.197197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.197197 (E_RNA) where: Base-Base interactions energy: -1813.916 where: short stacking energy: -728.936 Base-Backbone interact. energy: 3.654 local terms energy: -742.935539 where: bonds (distance) C4'-P energy: -115.553 bonds (distance) P-C4' energy: -145.079 flat angles C4'-P-C4' energy: -154.096 flat angles P-C4'-P energy: -110.326 tors. eta vs tors. theta energy: -217.880 Dist. restrs. and SS energy: 0.000 (S_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: 113 Temperature: 1.150000 Total energy: -2493.346211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.346211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.346211 (E_RNA) where: Base-Base interactions energy: -1781.741 where: short stacking energy: -723.824 Base-Backbone interact. energy: -1.658 local terms energy: -709.946565 where: bonds (distance) C4'-P energy: -108.931 bonds (distance) P-C4' energy: -133.907 flat angles C4'-P-C4' energy: -145.400 flat angles P-C4'-P energy: -98.755 tors. eta vs tors. theta energy: -222.954 Dist. restrs. and SS energy: 0.000 (S_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: 113 Temperature: 1.200000 Total energy: -2465.948401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.948401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.948401 (E_RNA) where: Base-Base interactions energy: -1754.778 where: short stacking energy: -711.562 Base-Backbone interact. energy: 0.350 local terms energy: -711.520206 where: bonds (distance) C4'-P energy: -101.180 bonds (distance) P-C4' energy: -135.251 flat angles C4'-P-C4' energy: -146.355 flat angles P-C4'-P energy: -108.028 tors. eta vs tors. theta energy: -220.707 Dist. restrs. and SS energy: 0.000 (S_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: 113 Temperature: 1.250000 Total energy: -2342.591078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.591078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.591078 (E_RNA) where: Base-Base interactions energy: -1660.260 where: short stacking energy: -679.953 Base-Backbone interact. energy: -1.731 local terms energy: -680.600253 where: bonds (distance) C4'-P energy: -90.921 bonds (distance) P-C4' energy: -135.838 flat angles C4'-P-C4' energy: -147.223 flat angles P-C4'-P energy: -105.571 tors. eta vs tors. theta energy: -201.047 Dist. restrs. and SS energy: 0.000 (S_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: 113 Temperature: 1.300000 Total energy: -2240.516258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.516258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.516258 (E_RNA) where: Base-Base interactions energy: -1552.604 where: short stacking energy: -635.474 Base-Backbone interact. energy: -2.321 local terms energy: -685.590886 where: bonds (distance) C4'-P energy: -111.215 bonds (distance) P-C4' energy: -134.726 flat angles C4'-P-C4' energy: -151.781 flat angles P-C4'-P energy: -100.452 tors. eta vs tors. theta energy: -187.416 Dist. restrs. and SS energy: 0.000 (S_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: 113 Temperature: 1.350000 Total energy: -2095.808262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.808262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.808262 (E_RNA) where: Base-Base interactions energy: -1429.676 where: short stacking energy: -605.122 Base-Backbone interact. energy: -1.603 local terms energy: -664.529572 where: bonds (distance) C4'-P energy: -111.130 bonds (distance) P-C4' energy: -144.510 flat angles C4'-P-C4' energy: -141.635 flat angles P-C4'-P energy: -89.960 tors. eta vs tors. theta energy: -177.295 Dist. restrs. and SS energy: 0.000 (S_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: 114 Temperature: 0.900000 Total energy: -2725.111495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.111495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.111495 (E_RNA) where: Base-Base interactions energy: -1941.525 where: short stacking energy: -763.565 Base-Backbone interact. energy: -0.863 local terms energy: -782.723788 where: bonds (distance) C4'-P energy: -116.633 bonds (distance) P-C4' energy: -160.615 flat angles C4'-P-C4' energy: -162.037 flat angles P-C4'-P energy: -119.276 tors. eta vs tors. theta energy: -224.163 Dist. restrs. and SS energy: 0.000 (S_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: 114 Temperature: 0.950000 Total energy: -2674.038736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.038736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.038736 (E_RNA) where: Base-Base interactions energy: -1903.698 where: short stacking energy: -745.889 Base-Backbone interact. energy: -0.772 local terms energy: -769.568282 where: bonds (distance) C4'-P energy: -124.142 bonds (distance) P-C4' energy: -145.647 flat angles C4'-P-C4' energy: -159.646 flat angles P-C4'-P energy: -113.845 tors. eta vs tors. theta energy: -226.288 Dist. restrs. and SS energy: 0.000 (S_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: 114 Temperature: 1.000000 Total energy: -2659.328873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.328873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.328873 (E_RNA) where: Base-Base interactions energy: -1899.481 where: short stacking energy: -750.668 Base-Backbone interact. energy: -0.320 local terms energy: -759.528094 where: bonds (distance) C4'-P energy: -121.083 bonds (distance) P-C4' energy: -149.578 flat angles C4'-P-C4' energy: -151.924 flat angles P-C4'-P energy: -113.065 tors. eta vs tors. theta energy: -223.879 Dist. restrs. and SS energy: 0.000 (S_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: 114 Temperature: 1.050000 Total energy: -2633.438193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.438193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.438193 (E_RNA) where: Base-Base interactions energy: -1889.556 where: short stacking energy: -752.032 Base-Backbone interact. energy: -0.134 local terms energy: -743.748667 where: bonds (distance) C4'-P energy: -105.416 bonds (distance) P-C4' energy: -150.656 flat angles C4'-P-C4' energy: -159.068 flat angles P-C4'-P energy: -112.653 tors. eta vs tors. theta energy: -215.955 Dist. restrs. and SS energy: 0.000 (S_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: -2529.303831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.303831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.303831 (E_RNA) where: Base-Base interactions energy: -1812.275 where: short stacking energy: -741.383 Base-Backbone interact. energy: -0.569 local terms energy: -716.459609 where: bonds (distance) C4'-P energy: -110.480 bonds (distance) P-C4' energy: -136.419 flat angles C4'-P-C4' energy: -139.797 flat angles P-C4'-P energy: -105.521 tors. eta vs tors. theta energy: -224.244 Dist. restrs. and SS energy: 0.000 (S_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: 114 Temperature: 1.150000 Total energy: -2507.416145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.416145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.416145 (E_RNA) where: Base-Base interactions energy: -1790.720 where: short stacking energy: -704.006 Base-Backbone interact. energy: -1.259 local terms energy: -715.437130 where: bonds (distance) C4'-P energy: -118.870 bonds (distance) P-C4' energy: -138.140 flat angles C4'-P-C4' energy: -151.289 flat angles P-C4'-P energy: -100.620 tors. eta vs tors. theta energy: -206.519 Dist. restrs. and SS energy: 0.000 (S_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: 114 Temperature: 1.200000 Total energy: -2424.290673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.290673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.290673 (E_RNA) where: Base-Base interactions energy: -1705.277 where: short stacking energy: -692.268 Base-Backbone interact. energy: -2.103 local terms energy: -716.911145 where: bonds (distance) C4'-P energy: -110.536 bonds (distance) P-C4' energy: -154.210 flat angles C4'-P-C4' energy: -142.914 flat angles P-C4'-P energy: -101.033 tors. eta vs tors. theta energy: -208.218 Dist. restrs. and SS energy: 0.000 (S_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: 114 Temperature: 1.250000 Total energy: -2334.598792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.598792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.598792 (E_RNA) where: Base-Base interactions energy: -1662.554 where: short stacking energy: -658.576 Base-Backbone interact. energy: -1.067 local terms energy: -670.977118 where: bonds (distance) C4'-P energy: -112.725 bonds (distance) P-C4' energy: -147.891 flat angles C4'-P-C4' energy: -140.725 flat angles P-C4'-P energy: -85.029 tors. eta vs tors. theta energy: -184.607 Dist. restrs. and SS energy: 0.000 (S_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: 114 Temperature: 1.300000 Total energy: -2203.933005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.933005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.933005 (E_RNA) where: Base-Base interactions energy: -1541.496 where: short stacking energy: -623.397 Base-Backbone interact. energy: -1.045 local terms energy: -661.391894 where: bonds (distance) C4'-P energy: -106.238 bonds (distance) P-C4' energy: -140.821 flat angles C4'-P-C4' energy: -139.304 flat angles P-C4'-P energy: -99.218 tors. eta vs tors. theta energy: -175.810 Dist. restrs. and SS energy: 0.000 (S_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: 114 Temperature: 1.350000 Total energy: -2093.179397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.179397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.179397 (E_RNA) where: Base-Base interactions energy: -1433.629 where: short stacking energy: -600.004 Base-Backbone interact. energy: -1.370 local terms energy: -658.179807 where: bonds (distance) C4'-P energy: -113.980 bonds (distance) P-C4' energy: -142.144 flat angles C4'-P-C4' energy: -133.893 flat angles P-C4'-P energy: -94.285 tors. eta vs tors. theta energy: -173.877 Dist. restrs. and SS energy: 0.000 (S_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: 115 Temperature: 0.900000 Total energy: -2728.274462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.274462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.274462 (E_RNA) where: Base-Base interactions energy: -1942.860 where: short stacking energy: -760.518 Base-Backbone interact. energy: -0.724 local terms energy: -784.690503 where: bonds (distance) C4'-P energy: -137.531 bonds (distance) P-C4' energy: -154.848 flat angles C4'-P-C4' energy: -158.164 flat angles P-C4'-P energy: -111.393 tors. eta vs tors. theta energy: -222.755 Dist. restrs. and SS energy: 0.000 (S_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: 115 Temperature: 0.950000 Total energy: -2671.476247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.476247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.476247 (E_RNA) where: Base-Base interactions energy: -1889.667 where: short stacking energy: -745.344 Base-Backbone interact. energy: -2.425 local terms energy: -779.384701 where: bonds (distance) C4'-P energy: -128.896 bonds (distance) P-C4' energy: -158.436 flat angles C4'-P-C4' energy: -160.688 flat angles P-C4'-P energy: -110.753 tors. eta vs tors. theta energy: -220.612 Dist. restrs. and SS energy: 0.000 (S_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: 115 Temperature: 1.000000 Total energy: -2644.596024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.596024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.596024 (E_RNA) where: Base-Base interactions energy: -1886.723 where: short stacking energy: -759.462 Base-Backbone interact. energy: -1.769 local terms energy: -756.103689 where: bonds (distance) C4'-P energy: -113.269 bonds (distance) P-C4' energy: -143.404 flat angles C4'-P-C4' energy: -162.552 flat angles P-C4'-P energy: -109.745 tors. eta vs tors. theta energy: -227.134 Dist. restrs. and SS energy: 0.000 (S_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: 115 Temperature: 1.050000 Total energy: -2628.026751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.026751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.026751 (E_RNA) where: Base-Base interactions energy: -1885.229 where: short stacking energy: -750.738 Base-Backbone interact. energy: -0.512 local terms energy: -742.285426 where: bonds (distance) C4'-P energy: -112.521 bonds (distance) P-C4' energy: -147.163 flat angles C4'-P-C4' energy: -157.190 flat angles P-C4'-P energy: -104.992 tors. eta vs tors. theta energy: -220.419 Dist. restrs. and SS energy: 0.000 (S_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: 115 Temperature: 1.100000 Total energy: -2526.007107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.007107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.007107 (E_RNA) where: Base-Base interactions energy: -1797.938 where: short stacking energy: -723.596 Base-Backbone interact. energy: -0.817 local terms energy: -727.252117 where: bonds (distance) C4'-P energy: -108.306 bonds (distance) P-C4' energy: -147.179 flat angles C4'-P-C4' energy: -150.133 flat angles P-C4'-P energy: -108.161 tors. eta vs tors. theta energy: -213.474 Dist. restrs. and SS energy: 0.000 (S_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: 115 Temperature: 1.150000 Total energy: -2473.052783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.052783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.052783 (E_RNA) where: Base-Base interactions energy: -1772.689 where: short stacking energy: -711.772 Base-Backbone interact. energy: -2.867 local terms energy: -697.496438 where: bonds (distance) C4'-P energy: -111.972 bonds (distance) P-C4' energy: -128.303 flat angles C4'-P-C4' energy: -147.332 flat angles P-C4'-P energy: -94.033 tors. eta vs tors. theta energy: -215.856 Dist. restrs. and SS energy: 0.000 (S_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: 115 Temperature: 1.200000 Total energy: -2450.687151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.687151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.687151 (E_RNA) where: Base-Base interactions energy: -1733.481 where: short stacking energy: -695.717 Base-Backbone interact. energy: 0.254 local terms energy: -717.461000 where: bonds (distance) C4'-P energy: -116.414 bonds (distance) P-C4' energy: -144.906 flat angles C4'-P-C4' energy: -145.771 flat angles P-C4'-P energy: -101.431 tors. eta vs tors. theta energy: -208.939 Dist. restrs. and SS energy: 0.000 (S_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: 115 Temperature: 1.250000 Total energy: -2380.565589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.565589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.565589 (E_RNA) where: Base-Base interactions energy: -1681.296 where: short stacking energy: -671.273 Base-Backbone interact. energy: 0.778 local terms energy: -700.047775 where: bonds (distance) C4'-P energy: -103.142 bonds (distance) P-C4' energy: -146.462 flat angles C4'-P-C4' energy: -152.867 flat angles P-C4'-P energy: -101.051 tors. eta vs tors. theta energy: -196.526 Dist. restrs. and SS energy: 0.000 (S_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: 115 Temperature: 1.300000 Total energy: -2254.161737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.161737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.161737 (E_RNA) where: Base-Base interactions energy: -1584.263 where: short stacking energy: -647.817 Base-Backbone interact. energy: -1.253 local terms energy: -668.646037 where: bonds (distance) C4'-P energy: -106.457 bonds (distance) P-C4' energy: -131.420 flat angles C4'-P-C4' energy: -135.583 flat angles P-C4'-P energy: -96.908 tors. eta vs tors. theta energy: -198.278 Dist. restrs. and SS energy: 0.000 (S_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: 115 Temperature: 1.350000 Total energy: -2066.289797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.289797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.289797 (E_RNA) where: Base-Base interactions energy: -1457.294 where: short stacking energy: -601.937 Base-Backbone interact. energy: -1.440 local terms energy: -607.555126 where: bonds (distance) C4'-P energy: -97.383 bonds (distance) P-C4' energy: -134.401 flat angles C4'-P-C4' energy: -136.719 flat angles P-C4'-P energy: -77.750 tors. eta vs tors. theta energy: -161.302 Dist. restrs. and SS energy: 0.000 (S_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: 116 Temperature: 0.900000 Total energy: -2721.462393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.462393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.462393 (E_RNA) where: Base-Base interactions energy: -1964.908 where: short stacking energy: -760.234 Base-Backbone interact. energy: -3.456 local terms energy: -753.098476 where: bonds (distance) C4'-P energy: -106.042 bonds (distance) P-C4' energy: -151.262 flat angles C4'-P-C4' energy: -167.768 flat angles P-C4'-P energy: -105.195 tors. eta vs tors. theta energy: -222.831 Dist. restrs. and SS energy: 0.000 (S_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: 116 Temperature: 0.950000 Total energy: -2673.076424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.076424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.076424 (E_RNA) where: Base-Base interactions energy: -1925.871 where: short stacking energy: -766.343 Base-Backbone interact. energy: -2.233 local terms energy: -744.972423 where: bonds (distance) C4'-P energy: -107.699 bonds (distance) P-C4' energy: -152.768 flat angles C4'-P-C4' energy: -158.492 flat angles P-C4'-P energy: -99.113 tors. eta vs tors. theta energy: -226.900 Dist. restrs. and SS energy: 0.000 (S_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: 116 Temperature: 1.000000 Total energy: -2655.149142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.149142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.149142 (E_RNA) where: Base-Base interactions energy: -1880.791 where: short stacking energy: -770.721 Base-Backbone interact. energy: -0.718 local terms energy: -773.640236 where: bonds (distance) C4'-P energy: -118.866 bonds (distance) P-C4' energy: -149.839 flat angles C4'-P-C4' energy: -159.428 flat angles P-C4'-P energy: -113.394 tors. eta vs tors. theta energy: -232.114 Dist. restrs. and SS energy: 0.000 (S_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: 116 Temperature: 1.050000 Total energy: -2640.796961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.796961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.796961 (E_RNA) where: Base-Base interactions energy: -1879.240 where: short stacking energy: -742.742 Base-Backbone interact. energy: -1.675 local terms energy: -759.881937 where: bonds (distance) C4'-P energy: -111.779 bonds (distance) P-C4' energy: -148.719 flat angles C4'-P-C4' energy: -157.470 flat angles P-C4'-P energy: -117.222 tors. eta vs tors. theta energy: -224.692 Dist. restrs. and SS energy: 0.000 (S_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: 116 Temperature: 1.100000 Total energy: -2540.889157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.889157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.889157 (E_RNA) where: Base-Base interactions energy: -1832.795 where: short stacking energy: -746.507 Base-Backbone interact. energy: -2.361 local terms energy: -705.732828 where: bonds (distance) C4'-P energy: -106.929 bonds (distance) P-C4' energy: -143.430 flat angles C4'-P-C4' energy: -145.429 flat angles P-C4'-P energy: -94.762 tors. eta vs tors. theta energy: -215.183 Dist. restrs. and SS energy: 0.000 (S_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: 116 Temperature: 1.150000 Total energy: -2490.074732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.074732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.074732 (E_RNA) where: Base-Base interactions energy: -1740.898 where: short stacking energy: -707.900 Base-Backbone interact. energy: -1.131 local terms energy: -748.046567 where: bonds (distance) C4'-P energy: -114.600 bonds (distance) P-C4' energy: -148.216 flat angles C4'-P-C4' energy: -154.046 flat angles P-C4'-P energy: -120.393 tors. eta vs tors. theta energy: -210.791 Dist. restrs. and SS energy: 0.000 (S_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: 116 Temperature: 1.200000 Total energy: -2478.831126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.831126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.831126 (E_RNA) where: Base-Base interactions energy: -1754.512 where: short stacking energy: -688.806 Base-Backbone interact. energy: -1.705 local terms energy: -722.614245 where: bonds (distance) C4'-P energy: -111.129 bonds (distance) P-C4' energy: -145.703 flat angles C4'-P-C4' energy: -152.154 flat angles P-C4'-P energy: -101.049 tors. eta vs tors. theta energy: -212.580 Dist. restrs. and SS energy: 0.000 (S_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: 116 Temperature: 1.250000 Total energy: -2349.932487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.932487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.932487 (E_RNA) where: Base-Base interactions energy: -1683.245 where: short stacking energy: -678.899 Base-Backbone interact. energy: 1.025 local terms energy: -667.712450 where: bonds (distance) C4'-P energy: -108.093 bonds (distance) P-C4' energy: -135.307 flat angles C4'-P-C4' energy: -139.795 flat angles P-C4'-P energy: -93.822 tors. eta vs tors. theta energy: -190.695 Dist. restrs. and SS energy: 0.000 (S_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: 116 Temperature: 1.300000 Total energy: -2239.176262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.176262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.176262 (E_RNA) where: Base-Base interactions energy: -1570.283 where: short stacking energy: -644.052 Base-Backbone interact. energy: -2.295 local terms energy: -666.598247 where: bonds (distance) C4'-P energy: -105.831 bonds (distance) P-C4' energy: -131.621 flat angles C4'-P-C4' energy: -149.938 flat angles P-C4'-P energy: -84.771 tors. eta vs tors. theta energy: -194.437 Dist. restrs. and SS energy: 0.000 (S_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: 116 Temperature: 1.350000 Total energy: -2076.103590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.103590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.103590 (E_RNA) where: Base-Base interactions energy: -1436.896 where: short stacking energy: -582.121 Base-Backbone interact. energy: -2.782 local terms energy: -636.426009 where: bonds (distance) C4'-P energy: -101.274 bonds (distance) P-C4' energy: -138.065 flat angles C4'-P-C4' energy: -141.303 flat angles P-C4'-P energy: -90.422 tors. eta vs tors. theta energy: -165.362 Dist. restrs. and SS energy: 0.000 (S_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: 117 Temperature: 0.900000 Total energy: -2703.556851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.556851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.556851 (E_RNA) where: Base-Base interactions energy: -1915.289 where: short stacking energy: -759.126 Base-Backbone interact. energy: -3.863 local terms energy: -784.404506 where: bonds (distance) C4'-P energy: -119.908 bonds (distance) P-C4' energy: -159.194 flat angles C4'-P-C4' energy: -164.694 flat angles P-C4'-P energy: -116.452 tors. eta vs tors. theta energy: -224.156 Dist. restrs. and SS energy: 0.000 (S_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: 117 Temperature: 0.950000 Total energy: -2674.656852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.656852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.656852 (E_RNA) where: Base-Base interactions energy: -1910.137 where: short stacking energy: -759.924 Base-Backbone interact. energy: -1.712 local terms energy: -762.808587 where: bonds (distance) C4'-P energy: -120.516 bonds (distance) P-C4' energy: -147.862 flat angles C4'-P-C4' energy: -157.475 flat angles P-C4'-P energy: -112.642 tors. eta vs tors. theta energy: -224.314 Dist. restrs. and SS energy: 0.000 (S_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: 117 Temperature: 1.000000 Total energy: -2620.218356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.218356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.218356 (E_RNA) where: Base-Base interactions energy: -1855.379 where: short stacking energy: -733.289 Base-Backbone interact. energy: -1.665 local terms energy: -763.174760 where: bonds (distance) C4'-P energy: -112.336 bonds (distance) P-C4' energy: -160.449 flat angles C4'-P-C4' energy: -157.326 flat angles P-C4'-P energy: -115.806 tors. eta vs tors. theta energy: -217.258 Dist. restrs. and SS energy: 0.000 (S_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: 117 Temperature: 1.050000 Total energy: -2623.178264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.178264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.178264 (E_RNA) where: Base-Base interactions energy: -1870.397 where: short stacking energy: -744.000 Base-Backbone interact. energy: 1.348 local terms energy: -754.129268 where: bonds (distance) C4'-P energy: -113.183 bonds (distance) P-C4' energy: -149.905 flat angles C4'-P-C4' energy: -152.733 flat angles P-C4'-P energy: -111.991 tors. eta vs tors. theta energy: -226.317 Dist. restrs. and SS energy: 0.000 (S_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: 117 Temperature: 1.100000 Total energy: -2561.444903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.444903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.444903 (E_RNA) where: Base-Base interactions energy: -1827.411 where: short stacking energy: -735.654 Base-Backbone interact. energy: 0.023 local terms energy: -734.057360 where: bonds (distance) C4'-P energy: -118.165 bonds (distance) P-C4' energy: -144.160 flat angles C4'-P-C4' energy: -150.781 flat angles P-C4'-P energy: -102.100 tors. eta vs tors. theta energy: -218.851 Dist. restrs. and SS energy: 0.000 (S_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: 117 Temperature: 1.150000 Total energy: -2485.514489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.514489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.514489 (E_RNA) where: Base-Base interactions energy: -1768.846 where: short stacking energy: -723.869 Base-Backbone interact. energy: -1.571 local terms energy: -715.097603 where: bonds (distance) C4'-P energy: -102.681 bonds (distance) P-C4' energy: -144.196 flat angles C4'-P-C4' energy: -147.622 flat angles P-C4'-P energy: -102.146 tors. eta vs tors. theta energy: -218.454 Dist. restrs. and SS energy: 0.000 (S_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: 117 Temperature: 1.200000 Total energy: -2437.419832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.419832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.419832 (E_RNA) where: Base-Base interactions energy: -1749.029 where: short stacking energy: -690.332 Base-Backbone interact. energy: -0.932 local terms energy: -687.458905 where: bonds (distance) C4'-P energy: -102.232 bonds (distance) P-C4' energy: -148.820 flat angles C4'-P-C4' energy: -131.569 flat angles P-C4'-P energy: -96.025 tors. eta vs tors. theta energy: -208.812 Dist. restrs. and SS energy: 0.000 (S_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: 117 Temperature: 1.250000 Total energy: -2324.019791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.019791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.019791 (E_RNA) where: Base-Base interactions energy: -1654.416 where: short stacking energy: -669.149 Base-Backbone interact. energy: -3.070 local terms energy: -666.534163 where: bonds (distance) C4'-P energy: -103.670 bonds (distance) P-C4' energy: -129.690 flat angles C4'-P-C4' energy: -149.264 flat angles P-C4'-P energy: -91.475 tors. eta vs tors. theta energy: -192.435 Dist. restrs. and SS energy: 0.000 (S_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: 117 Temperature: 1.300000 Total energy: -2233.775758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.775758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.775758 (E_RNA) where: Base-Base interactions energy: -1576.864 where: short stacking energy: -633.096 Base-Backbone interact. energy: -0.244 local terms energy: -656.667404 where: bonds (distance) C4'-P energy: -114.222 bonds (distance) P-C4' energy: -126.841 flat angles C4'-P-C4' energy: -152.048 flat angles P-C4'-P energy: -90.224 tors. eta vs tors. theta energy: -173.332 Dist. restrs. and SS energy: 0.000 (S_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: 117 Temperature: 1.350000 Total energy: -2058.723292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.723292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.723292 (E_RNA) where: Base-Base interactions energy: -1413.947 where: short stacking energy: -588.022 Base-Backbone interact. energy: 0.429 local terms energy: -645.205592 where: bonds (distance) C4'-P energy: -105.042 bonds (distance) P-C4' energy: -148.380 flat angles C4'-P-C4' energy: -138.554 flat angles P-C4'-P energy: -87.769 tors. eta vs tors. theta energy: -165.460 Dist. restrs. and SS energy: 0.000 (S_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: 118 Temperature: 0.900000 Total energy: -2720.455677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.455677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.455677 (E_RNA) where: Base-Base interactions energy: -1934.950 where: short stacking energy: -771.802 Base-Backbone interact. energy: -0.625 local terms energy: -784.880471 where: bonds (distance) C4'-P energy: -118.292 bonds (distance) P-C4' energy: -156.671 flat angles C4'-P-C4' energy: -165.806 flat angles P-C4'-P energy: -113.295 tors. eta vs tors. theta energy: -230.817 Dist. restrs. and SS energy: 0.000 (S_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: 118 Temperature: 0.950000 Total energy: -2686.961938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.961938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.961938 (E_RNA) where: Base-Base interactions energy: -1911.153 where: short stacking energy: -756.008 Base-Backbone interact. energy: -3.153 local terms energy: -772.656127 where: bonds (distance) C4'-P energy: -130.640 bonds (distance) P-C4' energy: -155.638 flat angles C4'-P-C4' energy: -151.947 flat angles P-C4'-P energy: -110.630 tors. eta vs tors. theta energy: -223.801 Dist. restrs. and SS energy: 0.000 (S_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: 118 Temperature: 1.000000 Total energy: -2675.391136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.391136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.391136 (E_RNA) where: Base-Base interactions energy: -1907.533 where: short stacking energy: -754.818 Base-Backbone interact. energy: -3.362 local terms energy: -764.495736 where: bonds (distance) C4'-P energy: -116.673 bonds (distance) P-C4' energy: -148.213 flat angles C4'-P-C4' energy: -167.053 flat angles P-C4'-P energy: -104.573 tors. eta vs tors. theta energy: -227.985 Dist. restrs. and SS energy: 0.000 (S_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: 118 Temperature: 1.050000 Total energy: -2594.856856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.856856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.856856 (E_RNA) where: Base-Base interactions energy: -1840.184 where: short stacking energy: -730.443 Base-Backbone interact. energy: -1.467 local terms energy: -753.205336 where: bonds (distance) C4'-P energy: -105.494 bonds (distance) P-C4' energy: -159.817 flat angles C4'-P-C4' energy: -160.475 flat angles P-C4'-P energy: -109.577 tors. eta vs tors. theta energy: -217.841 Dist. restrs. and SS energy: 0.000 (S_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: 118 Temperature: 1.100000 Total energy: -2560.659005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.659005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.659005 (E_RNA) where: Base-Base interactions energy: -1824.405 where: short stacking energy: -733.110 Base-Backbone interact. energy: -1.250 local terms energy: -735.004371 where: bonds (distance) C4'-P energy: -116.631 bonds (distance) P-C4' energy: -142.749 flat angles C4'-P-C4' energy: -156.632 flat angles P-C4'-P energy: -95.640 tors. eta vs tors. theta energy: -223.352 Dist. restrs. and SS energy: 0.000 (S_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: 118 Temperature: 1.150000 Total energy: -2495.516262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.516262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.516262 (E_RNA) where: Base-Base interactions energy: -1767.306 where: short stacking energy: -725.071 Base-Backbone interact. energy: -1.041 local terms energy: -727.169299 where: bonds (distance) C4'-P energy: -115.480 bonds (distance) P-C4' energy: -137.916 flat angles C4'-P-C4' energy: -149.823 flat angles P-C4'-P energy: -104.465 tors. eta vs tors. theta energy: -219.486 Dist. restrs. and SS energy: 0.000 (S_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: 118 Temperature: 1.200000 Total energy: -2436.183373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.183373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.183373 (E_RNA) where: Base-Base interactions energy: -1714.210 where: short stacking energy: -710.950 Base-Backbone interact. energy: -1.401 local terms energy: -720.572406 where: bonds (distance) C4'-P energy: -111.011 bonds (distance) P-C4' energy: -153.894 flat angles C4'-P-C4' energy: -138.153 flat angles P-C4'-P energy: -105.282 tors. eta vs tors. theta energy: -212.231 Dist. restrs. and SS energy: 0.000 (S_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: 118 Temperature: 1.250000 Total energy: -2291.251274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.251274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.251274 (E_RNA) where: Base-Base interactions energy: -1616.709 where: short stacking energy: -653.218 Base-Backbone interact. energy: 3.598 local terms energy: -678.140340 where: bonds (distance) C4'-P energy: -113.697 bonds (distance) P-C4' energy: -138.589 flat angles C4'-P-C4' energy: -148.583 flat angles P-C4'-P energy: -85.525 tors. eta vs tors. theta energy: -191.747 Dist. restrs. and SS energy: 0.000 (S_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: 118 Temperature: 1.300000 Total energy: -2235.316662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.316662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.316662 (E_RNA) where: Base-Base interactions energy: -1570.464 where: short stacking energy: -646.303 Base-Backbone interact. energy: -1.253 local terms energy: -663.599573 where: bonds (distance) C4'-P energy: -106.870 bonds (distance) P-C4' energy: -139.908 flat angles C4'-P-C4' energy: -140.727 flat angles P-C4'-P energy: -90.519 tors. eta vs tors. theta energy: -185.575 Dist. restrs. and SS energy: 0.000 (S_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: 118 Temperature: 1.350000 Total energy: -2119.383013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.383013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.383013 (E_RNA) where: Base-Base interactions energy: -1478.538 where: short stacking energy: -601.450 Base-Backbone interact. energy: 3.253 local terms energy: -644.098706 where: bonds (distance) C4'-P energy: -107.410 bonds (distance) P-C4' energy: -132.086 flat angles C4'-P-C4' energy: -132.413 flat angles P-C4'-P energy: -102.187 tors. eta vs tors. theta energy: -170.004 Dist. restrs. and SS energy: 0.000 (S_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: 119 Temperature: 0.900000 Total energy: -2715.882540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.882540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.882540 (E_RNA) where: Base-Base interactions energy: -1958.436 where: short stacking energy: -781.015 Base-Backbone interact. energy: -1.188 local terms energy: -756.259037 where: bonds (distance) C4'-P energy: -106.736 bonds (distance) P-C4' energy: -148.896 flat angles C4'-P-C4' energy: -156.213 flat angles P-C4'-P energy: -113.855 tors. eta vs tors. theta energy: -230.559 Dist. restrs. and SS energy: 0.000 (S_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: 119 Temperature: 0.950000 Total energy: -2691.536492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.536492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.536492 (E_RNA) where: Base-Base interactions energy: -1932.927 where: short stacking energy: -768.950 Base-Backbone interact. energy: -0.654 local terms energy: -757.955918 where: bonds (distance) C4'-P energy: -113.002 bonds (distance) P-C4' energy: -149.387 flat angles C4'-P-C4' energy: -160.150 flat angles P-C4'-P energy: -101.521 tors. eta vs tors. theta energy: -233.896 Dist. restrs. and SS energy: 0.000 (S_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: 119 Temperature: 1.000000 Total energy: -2649.606764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.606764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.606764 (E_RNA) where: Base-Base interactions energy: -1885.584 where: short stacking energy: -752.041 Base-Backbone interact. energy: -3.454 local terms energy: -760.568029 where: bonds (distance) C4'-P energy: -116.234 bonds (distance) P-C4' energy: -142.856 flat angles C4'-P-C4' energy: -162.833 flat angles P-C4'-P energy: -110.991 tors. eta vs tors. theta energy: -227.655 Dist. restrs. and SS energy: 0.000 (S_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: 119 Temperature: 1.050000 Total energy: -2603.089473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.089473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.089473 (E_RNA) where: Base-Base interactions energy: -1865.621 where: short stacking energy: -735.453 Base-Backbone interact. energy: 0.225 local terms energy: -737.694165 where: bonds (distance) C4'-P energy: -123.894 bonds (distance) P-C4' energy: -151.752 flat angles C4'-P-C4' energy: -151.091 flat angles P-C4'-P energy: -89.392 tors. eta vs tors. theta energy: -221.565 Dist. restrs. and SS energy: 0.000 (S_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: 119 Temperature: 1.100000 Total energy: -2538.058410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.058410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.058410 (E_RNA) where: Base-Base interactions energy: -1822.469 where: short stacking energy: -742.549 Base-Backbone interact. energy: -1.444 local terms energy: -714.145573 where: bonds (distance) C4'-P energy: -98.484 bonds (distance) P-C4' energy: -148.808 flat angles C4'-P-C4' energy: -147.234 flat angles P-C4'-P energy: -100.683 tors. eta vs tors. theta energy: -218.937 Dist. restrs. and SS energy: 0.000 (S_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: -2514.835070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.835070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.835070 (E_RNA) where: Base-Base interactions energy: -1795.222 where: short stacking energy: -718.633 Base-Backbone interact. energy: -2.150 local terms energy: -717.462708 where: bonds (distance) C4'-P energy: -119.486 bonds (distance) P-C4' energy: -139.406 flat angles C4'-P-C4' energy: -146.927 flat angles P-C4'-P energy: -98.551 tors. eta vs tors. theta energy: -213.092 Dist. restrs. and SS energy: 0.000 (S_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: -2451.815461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.815461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.815461 (E_RNA) where: Base-Base interactions energy: -1729.929 where: short stacking energy: -718.237 Base-Backbone interact. energy: -1.204 local terms energy: -720.682542 where: bonds (distance) C4'-P energy: -118.266 bonds (distance) P-C4' energy: -142.341 flat angles C4'-P-C4' energy: -153.571 flat angles P-C4'-P energy: -98.203 tors. eta vs tors. theta energy: -208.302 Dist. restrs. and SS energy: 0.000 (S_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: 119 Temperature: 1.250000 Total energy: -2355.441129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.441129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.441129 (E_RNA) where: Base-Base interactions energy: -1646.071 where: short stacking energy: -671.722 Base-Backbone interact. energy: -2.665 local terms energy: -706.705163 where: bonds (distance) C4'-P energy: -106.374 bonds (distance) P-C4' energy: -152.079 flat angles C4'-P-C4' energy: -155.945 flat angles P-C4'-P energy: -85.655 tors. eta vs tors. theta energy: -206.652 Dist. restrs. and SS energy: 0.000 (S_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: 119 Temperature: 1.300000 Total energy: -2226.115114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.115114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.115114 (E_RNA) where: Base-Base interactions energy: -1545.572 where: short stacking energy: -636.231 Base-Backbone interact. energy: -1.441 local terms energy: -679.101991 where: bonds (distance) C4'-P energy: -114.943 bonds (distance) P-C4' energy: -146.502 flat angles C4'-P-C4' energy: -132.848 flat angles P-C4'-P energy: -97.266 tors. eta vs tors. theta energy: -187.544 Dist. restrs. and SS energy: 0.000 (S_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: 119 Temperature: 1.350000 Total energy: -2077.501288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.501288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.501288 (E_RNA) where: Base-Base interactions energy: -1438.801 where: short stacking energy: -608.307 Base-Backbone interact. energy: -0.523 local terms energy: -638.177274 where: bonds (distance) C4'-P energy: -123.519 bonds (distance) P-C4' energy: -113.986 flat angles C4'-P-C4' energy: -135.684 flat angles P-C4'-P energy: -91.908 tors. eta vs tors. theta energy: -173.080 Dist. restrs. and SS energy: 0.000 (S_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: 120 Temperature: 0.900000 Total energy: -2697.041960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.041960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.041960 (E_RNA) where: Base-Base interactions energy: -1929.524 where: short stacking energy: -759.899 Base-Backbone interact. energy: -4.631 local terms energy: -762.887400 where: bonds (distance) C4'-P energy: -121.278 bonds (distance) P-C4' energy: -154.514 flat angles C4'-P-C4' energy: -156.258 flat angles P-C4'-P energy: -108.720 tors. eta vs tors. theta energy: -222.116 Dist. restrs. and SS energy: 0.000 (S_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: 120 Temperature: 0.950000 Total energy: -2689.869265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.869265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.869265 (E_RNA) where: Base-Base interactions energy: -1916.918 where: short stacking energy: -761.617 Base-Backbone interact. energy: -2.077 local terms energy: -770.873793 where: bonds (distance) C4'-P energy: -118.543 bonds (distance) P-C4' energy: -156.693 flat angles C4'-P-C4' energy: -162.217 flat angles P-C4'-P energy: -110.479 tors. eta vs tors. theta energy: -222.942 Dist. restrs. and SS energy: 0.000 (S_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: -2640.067086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.067086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.067086 (E_RNA) where: Base-Base interactions energy: -1899.638 where: short stacking energy: -753.881 Base-Backbone interact. energy: -4.020 local terms energy: -736.409377 where: bonds (distance) C4'-P energy: -115.810 bonds (distance) P-C4' energy: -132.466 flat angles C4'-P-C4' energy: -156.507 flat angles P-C4'-P energy: -103.847 tors. eta vs tors. theta energy: -227.779 Dist. restrs. and SS energy: 0.000 (S_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: 120 Temperature: 1.050000 Total energy: -2609.542872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.542872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.542872 (E_RNA) where: Base-Base interactions energy: -1872.428 where: short stacking energy: -751.846 Base-Backbone interact. energy: -2.024 local terms energy: -735.091472 where: bonds (distance) C4'-P energy: -105.602 bonds (distance) P-C4' energy: -151.295 flat angles C4'-P-C4' energy: -154.626 flat angles P-C4'-P energy: -103.378 tors. eta vs tors. theta energy: -220.190 Dist. restrs. and SS energy: 0.000 (S_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: 120 Temperature: 1.100000 Total energy: -2547.868418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.868418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.868418 (E_RNA) where: Base-Base interactions energy: -1795.164 where: short stacking energy: -713.289 Base-Backbone interact. energy: -1.033 local terms energy: -751.671706 where: bonds (distance) C4'-P energy: -108.289 bonds (distance) P-C4' energy: -153.265 flat angles C4'-P-C4' energy: -158.151 flat angles P-C4'-P energy: -111.155 tors. eta vs tors. theta energy: -220.812 Dist. restrs. and SS energy: 0.000 (S_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: 120 Temperature: 1.150000 Total energy: -2459.307852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.307852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.307852 (E_RNA) where: Base-Base interactions energy: -1731.696 where: short stacking energy: -697.949 Base-Backbone interact. energy: -3.022 local terms energy: -724.589332 where: bonds (distance) C4'-P energy: -118.953 bonds (distance) P-C4' energy: -151.576 flat angles C4'-P-C4' energy: -141.528 flat angles P-C4'-P energy: -100.635 tors. eta vs tors. theta energy: -211.898 Dist. restrs. and SS energy: 0.000 (S_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: 120 Temperature: 1.200000 Total energy: -2471.693710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.693710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.693710 (E_RNA) where: Base-Base interactions energy: -1768.668 where: short stacking energy: -712.745 Base-Backbone interact. energy: -0.019 local terms energy: -703.006466 where: bonds (distance) C4'-P energy: -99.040 bonds (distance) P-C4' energy: -131.947 flat angles C4'-P-C4' energy: -152.675 flat angles P-C4'-P energy: -103.379 tors. eta vs tors. theta energy: -215.966 Dist. restrs. and SS energy: 0.000 (S_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: 120 Temperature: 1.250000 Total energy: -2362.508936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.508936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.508936 (E_RNA) where: Base-Base interactions energy: -1671.570 where: short stacking energy: -676.276 Base-Backbone interact. energy: -1.264 local terms energy: -689.675548 where: bonds (distance) C4'-P energy: -100.293 bonds (distance) P-C4' energy: -129.514 flat angles C4'-P-C4' energy: -149.096 flat angles P-C4'-P energy: -106.218 tors. eta vs tors. theta energy: -204.555 Dist. restrs. and SS energy: 0.000 (S_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: 120 Temperature: 1.300000 Total energy: -2234.207536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.207536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.207536 (E_RNA) where: Base-Base interactions energy: -1558.962 where: short stacking energy: -634.370 Base-Backbone interact. energy: -1.759 local terms energy: -673.487031 where: bonds (distance) C4'-P energy: -109.573 bonds (distance) P-C4' energy: -142.060 flat angles C4'-P-C4' energy: -142.750 flat angles P-C4'-P energy: -95.707 tors. eta vs tors. theta energy: -183.398 Dist. restrs. and SS energy: 0.000 (S_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: -2030.916353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.916353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.916353 (E_RNA) where: Base-Base interactions energy: -1398.874 where: short stacking energy: -582.541 Base-Backbone interact. energy: 0.040 local terms energy: -632.082312 where: bonds (distance) C4'-P energy: -114.397 bonds (distance) P-C4' energy: -137.299 flat angles C4'-P-C4' energy: -137.607 flat angles P-C4'-P energy: -89.290 tors. eta vs tors. theta energy: -153.490 Dist. restrs. and SS energy: 0.000 (S_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: 121 Temperature: 0.900000 Total energy: -2689.892626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.892626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.892626 (E_RNA) where: Base-Base interactions energy: -1916.905 where: short stacking energy: -751.671 Base-Backbone interact. energy: -2.728 local terms energy: -770.259592 where: bonds (distance) C4'-P energy: -127.849 bonds (distance) P-C4' energy: -152.149 flat angles C4'-P-C4' energy: -148.564 flat angles P-C4'-P energy: -117.512 tors. eta vs tors. theta energy: -224.186 Dist. restrs. and SS energy: 0.000 (S_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: 121 Temperature: 0.950000 Total energy: -2690.244719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.244719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.244719 (E_RNA) where: Base-Base interactions energy: -1936.013 where: short stacking energy: -776.589 Base-Backbone interact. energy: -1.598 local terms energy: -752.634228 where: bonds (distance) C4'-P energy: -118.255 bonds (distance) P-C4' energy: -141.980 flat angles C4'-P-C4' energy: -165.433 flat angles P-C4'-P energy: -105.671 tors. eta vs tors. theta energy: -221.294 Dist. restrs. and SS energy: 0.000 (S_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: 121 Temperature: 1.000000 Total energy: -2664.424307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.424307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.424307 (E_RNA) where: Base-Base interactions energy: -1896.696 where: short stacking energy: -743.986 Base-Backbone interact. energy: -4.554 local terms energy: -763.175133 where: bonds (distance) C4'-P energy: -117.535 bonds (distance) P-C4' energy: -149.147 flat angles C4'-P-C4' energy: -165.120 flat angles P-C4'-P energy: -109.552 tors. eta vs tors. theta energy: -221.821 Dist. restrs. and SS energy: 0.000 (S_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: 121 Temperature: 1.050000 Total energy: -2566.437474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.437474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.437474 (E_RNA) where: Base-Base interactions energy: -1799.733 where: short stacking energy: -719.262 Base-Backbone interact. energy: -1.930 local terms energy: -764.774731 where: bonds (distance) C4'-P energy: -121.003 bonds (distance) P-C4' energy: -154.378 flat angles C4'-P-C4' energy: -160.238 flat angles P-C4'-P energy: -104.920 tors. eta vs tors. theta energy: -224.236 Dist. restrs. and SS energy: 0.000 (S_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: 121 Temperature: 1.100000 Total energy: -2546.031027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.031027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.031027 (E_RNA) where: Base-Base interactions energy: -1802.747 where: short stacking energy: -710.959 Base-Backbone interact. energy: -2.396 local terms energy: -740.888332 where: bonds (distance) C4'-P energy: -115.102 bonds (distance) P-C4' energy: -149.210 flat angles C4'-P-C4' energy: -151.109 flat angles P-C4'-P energy: -107.923 tors. eta vs tors. theta energy: -217.545 Dist. restrs. and SS energy: 0.000 (S_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: 121 Temperature: 1.150000 Total energy: -2480.194853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.194853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.194853 (E_RNA) where: Base-Base interactions energy: -1750.439 where: short stacking energy: -703.860 Base-Backbone interact. energy: -1.880 local terms energy: -727.876474 where: bonds (distance) C4'-P energy: -106.470 bonds (distance) P-C4' energy: -148.898 flat angles C4'-P-C4' energy: -147.623 flat angles P-C4'-P energy: -103.845 tors. eta vs tors. theta energy: -221.041 Dist. restrs. and SS energy: 0.000 (S_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: 121 Temperature: 1.200000 Total energy: -2436.337988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.337988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.337988 (E_RNA) where: Base-Base interactions energy: -1738.696 where: short stacking energy: -695.215 Base-Backbone interact. energy: -2.100 local terms energy: -695.541779 where: bonds (distance) C4'-P energy: -103.499 bonds (distance) P-C4' energy: -133.286 flat angles C4'-P-C4' energy: -147.236 flat angles P-C4'-P energy: -105.484 tors. eta vs tors. theta energy: -206.037 Dist. restrs. and SS energy: 0.000 (S_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: 121 Temperature: 1.250000 Total energy: -2280.617791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.617791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.617791 (E_RNA) where: Base-Base interactions energy: -1586.982 where: short stacking energy: -645.613 Base-Backbone interact. energy: -2.367 local terms energy: -691.269402 where: bonds (distance) C4'-P energy: -110.296 bonds (distance) P-C4' energy: -150.560 flat angles C4'-P-C4' energy: -145.297 flat angles P-C4'-P energy: -90.434 tors. eta vs tors. theta energy: -194.683 Dist. restrs. and SS energy: 0.000 (S_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: 121 Temperature: 1.300000 Total energy: -2315.301459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.301459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.301459 (E_RNA) where: Base-Base interactions energy: -1646.205 where: short stacking energy: -654.116 Base-Backbone interact. energy: 1.038 local terms energy: -670.134207 where: bonds (distance) C4'-P energy: -101.103 bonds (distance) P-C4' energy: -136.205 flat angles C4'-P-C4' energy: -138.626 flat angles P-C4'-P energy: -100.359 tors. eta vs tors. theta energy: -193.841 Dist. restrs. and SS energy: 0.000 (S_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: -2048.031121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.031121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.031121 (E_RNA) where: Base-Base interactions energy: -1414.388 where: short stacking energy: -584.280 Base-Backbone interact. energy: -1.081 local terms energy: -632.562213 where: bonds (distance) C4'-P energy: -100.755 bonds (distance) P-C4' energy: -138.391 flat angles C4'-P-C4' energy: -137.999 flat angles P-C4'-P energy: -93.574 tors. eta vs tors. theta energy: -161.843 Dist. restrs. and SS energy: 0.000 (S_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: 122 Temperature: 0.900000 Total energy: -2720.316228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.316228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.316228 (E_RNA) where: Base-Base interactions energy: -1949.269 where: short stacking energy: -769.289 Base-Backbone interact. energy: -1.856 local terms energy: -769.191307 where: bonds (distance) C4'-P energy: -119.776 bonds (distance) P-C4' energy: -152.808 flat angles C4'-P-C4' energy: -160.019 flat angles P-C4'-P energy: -116.189 tors. eta vs tors. theta energy: -220.399 Dist. restrs. and SS energy: 0.000 (S_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: 122 Temperature: 0.950000 Total energy: -2693.474270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.474270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.474270 (E_RNA) where: Base-Base interactions energy: -1921.962 where: short stacking energy: -760.639 Base-Backbone interact. energy: -0.961 local terms energy: -770.550712 where: bonds (distance) C4'-P energy: -119.019 bonds (distance) P-C4' energy: -151.463 flat angles C4'-P-C4' energy: -160.876 flat angles P-C4'-P energy: -113.877 tors. eta vs tors. theta energy: -225.316 Dist. restrs. and SS energy: 0.000 (S_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: 122 Temperature: 1.000000 Total energy: -2655.654600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.654600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.654600 (E_RNA) where: Base-Base interactions energy: -1899.086 where: short stacking energy: -746.159 Base-Backbone interact. energy: -3.479 local terms energy: -753.089816 where: bonds (distance) C4'-P energy: -114.670 bonds (distance) P-C4' energy: -145.998 flat angles C4'-P-C4' energy: -156.698 flat angles P-C4'-P energy: -109.610 tors. eta vs tors. theta energy: -226.114 Dist. restrs. and SS energy: 0.000 (S_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: -2571.984513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.984513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.984513 (E_RNA) where: Base-Base interactions energy: -1805.475 where: short stacking energy: -731.717 Base-Backbone interact. energy: -3.095 local terms energy: -763.414522 where: bonds (distance) C4'-P energy: -114.379 bonds (distance) P-C4' energy: -155.181 flat angles C4'-P-C4' energy: -159.386 flat angles P-C4'-P energy: -116.673 tors. eta vs tors. theta energy: -217.795 Dist. restrs. and SS energy: 0.000 (S_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: 122 Temperature: 1.100000 Total energy: -2560.454124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.454124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.454124 (E_RNA) where: Base-Base interactions energy: -1829.860 where: short stacking energy: -742.144 Base-Backbone interact. energy: 0.615 local terms energy: -731.208933 where: bonds (distance) C4'-P energy: -116.944 bonds (distance) P-C4' energy: -138.593 flat angles C4'-P-C4' energy: -149.992 flat angles P-C4'-P energy: -102.597 tors. eta vs tors. theta energy: -223.083 Dist. restrs. and SS energy: 0.000 (S_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: 122 Temperature: 1.150000 Total energy: -2472.277954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.277954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.277954 (E_RNA) where: Base-Base interactions energy: -1753.835 where: short stacking energy: -711.715 Base-Backbone interact. energy: -1.529 local terms energy: -716.913420 where: bonds (distance) C4'-P energy: -115.809 bonds (distance) P-C4' energy: -141.924 flat angles C4'-P-C4' energy: -153.737 flat angles P-C4'-P energy: -103.799 tors. eta vs tors. theta energy: -201.645 Dist. restrs. and SS energy: 0.000 (S_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: 122 Temperature: 1.200000 Total energy: -2427.866600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.866600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.866600 (E_RNA) where: Base-Base interactions energy: -1716.822 where: short stacking energy: -686.379 Base-Backbone interact. energy: -2.817 local terms energy: -708.227084 where: bonds (distance) C4'-P energy: -105.260 bonds (distance) P-C4' energy: -148.221 flat angles C4'-P-C4' energy: -153.735 flat angles P-C4'-P energy: -93.568 tors. eta vs tors. theta energy: -207.443 Dist. restrs. and SS energy: 0.000 (S_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: 122 Temperature: 1.250000 Total energy: -2292.711935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.711935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.711935 (E_RNA) where: Base-Base interactions energy: -1590.062 where: short stacking energy: -663.938 Base-Backbone interact. energy: -1.535 local terms energy: -701.114918 where: bonds (distance) C4'-P energy: -107.535 bonds (distance) P-C4' energy: -132.828 flat angles C4'-P-C4' energy: -148.001 flat angles P-C4'-P energy: -111.847 tors. eta vs tors. theta energy: -200.904 Dist. restrs. and SS energy: 0.000 (S_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: 122 Temperature: 1.300000 Total energy: -2335.115089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.115089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.115089 (E_RNA) where: Base-Base interactions energy: -1670.057 where: short stacking energy: -677.558 Base-Backbone interact. energy: -0.375 local terms energy: -664.683271 where: bonds (distance) C4'-P energy: -95.347 bonds (distance) P-C4' energy: -137.705 flat angles C4'-P-C4' energy: -147.622 flat angles P-C4'-P energy: -93.375 tors. eta vs tors. theta energy: -190.635 Dist. restrs. and SS energy: 0.000 (S_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: 122 Temperature: 1.350000 Total energy: -2049.292089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.292089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.292089 (E_RNA) where: Base-Base interactions energy: -1398.754 where: short stacking energy: -573.858 Base-Backbone interact. energy: -1.596 local terms energy: -648.942402 where: bonds (distance) C4'-P energy: -100.769 bonds (distance) P-C4' energy: -137.137 flat angles C4'-P-C4' energy: -150.866 flat angles P-C4'-P energy: -97.305 tors. eta vs tors. theta energy: -162.865 Dist. restrs. and SS energy: 0.000 (S_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: 123 Temperature: 0.900000 Total energy: -2717.879321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.879321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.879321 (E_RNA) where: Base-Base interactions energy: -1938.700 where: short stacking energy: -761.672 Base-Backbone interact. energy: -2.084 local terms energy: -777.094909 where: bonds (distance) C4'-P energy: -125.958 bonds (distance) P-C4' energy: -152.333 flat angles C4'-P-C4' energy: -164.816 flat angles P-C4'-P energy: -108.052 tors. eta vs tors. theta energy: -225.936 Dist. restrs. and SS energy: 0.000 (S_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: 123 Temperature: 0.950000 Total energy: -2656.996465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.996465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.996465 (E_RNA) where: Base-Base interactions energy: -1891.846 where: short stacking energy: -752.679 Base-Backbone interact. energy: -2.328 local terms energy: -762.821822 where: bonds (distance) C4'-P energy: -116.233 bonds (distance) P-C4' energy: -153.682 flat angles C4'-P-C4' energy: -162.874 flat angles P-C4'-P energy: -112.459 tors. eta vs tors. theta energy: -217.574 Dist. restrs. and SS energy: 0.000 (S_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: 123 Temperature: 1.000000 Total energy: -2640.320895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.320895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.320895 (E_RNA) where: Base-Base interactions energy: -1868.671 where: short stacking energy: -742.645 Base-Backbone interact. energy: -0.184 local terms energy: -771.466058 where: bonds (distance) C4'-P energy: -116.234 bonds (distance) P-C4' energy: -152.568 flat angles C4'-P-C4' energy: -164.451 flat angles P-C4'-P energy: -116.995 tors. eta vs tors. theta energy: -221.218 Dist. restrs. and SS energy: 0.000 (S_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: 123 Temperature: 1.050000 Total energy: -2601.145160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.145160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.145160 (E_RNA) where: Base-Base interactions energy: -1883.689 where: short stacking energy: -753.888 Base-Backbone interact. energy: 2.744 local terms energy: -720.200026 where: bonds (distance) C4'-P energy: -97.886 bonds (distance) P-C4' energy: -144.988 flat angles C4'-P-C4' energy: -150.146 flat angles P-C4'-P energy: -109.985 tors. eta vs tors. theta energy: -217.195 Dist. restrs. and SS energy: 0.000 (S_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: -2548.818961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.818961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.818961 (E_RNA) where: Base-Base interactions energy: -1818.591 where: short stacking energy: -740.518 Base-Backbone interact. energy: 0.573 local terms energy: -730.800228 where: bonds (distance) C4'-P energy: -114.581 bonds (distance) P-C4' energy: -139.321 flat angles C4'-P-C4' energy: -153.776 flat angles P-C4'-P energy: -107.205 tors. eta vs tors. theta energy: -215.917 Dist. restrs. and SS energy: 0.000 (S_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: 123 Temperature: 1.150000 Total energy: -2473.687566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.687566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.687566 (E_RNA) where: Base-Base interactions energy: -1760.000 where: short stacking energy: -708.831 Base-Backbone interact. energy: -1.668 local terms energy: -712.019938 where: bonds (distance) C4'-P energy: -112.577 bonds (distance) P-C4' energy: -143.190 flat angles C4'-P-C4' energy: -139.282 flat angles P-C4'-P energy: -105.345 tors. eta vs tors. theta energy: -211.626 Dist. restrs. and SS energy: 0.000 (S_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: 123 Temperature: 1.200000 Total energy: -2430.130002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.130002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.130002 (E_RNA) where: Base-Base interactions energy: -1720.839 where: short stacking energy: -698.077 Base-Backbone interact. energy: 1.833 local terms energy: -711.123486 where: bonds (distance) C4'-P energy: -98.706 bonds (distance) P-C4' energy: -142.937 flat angles C4'-P-C4' energy: -153.459 flat angles P-C4'-P energy: -104.773 tors. eta vs tors. theta energy: -211.248 Dist. restrs. and SS energy: 0.000 (S_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: 123 Temperature: 1.250000 Total energy: -2332.990606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.990606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.990606 (E_RNA) where: Base-Base interactions energy: -1650.550 where: short stacking energy: -676.155 Base-Backbone interact. energy: -2.145 local terms energy: -680.295769 where: bonds (distance) C4'-P energy: -105.671 bonds (distance) P-C4' energy: -142.791 flat angles C4'-P-C4' energy: -138.986 flat angles P-C4'-P energy: -97.320 tors. eta vs tors. theta energy: -195.528 Dist. restrs. and SS energy: 0.000 (S_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: 123 Temperature: 1.300000 Total energy: -2268.670674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.670674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.670674 (E_RNA) where: Base-Base interactions energy: -1602.989 where: short stacking energy: -669.746 Base-Backbone interact. energy: -1.577 local terms energy: -664.103999 where: bonds (distance) C4'-P energy: -99.168 bonds (distance) P-C4' energy: -119.610 flat angles C4'-P-C4' energy: -155.900 flat angles P-C4'-P energy: -89.821 tors. eta vs tors. theta energy: -199.605 Dist. restrs. and SS energy: 0.000 (S_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: 123 Temperature: 1.350000 Total energy: -2034.712845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.712845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.712845 (E_RNA) where: Base-Base interactions energy: -1418.558 where: short stacking energy: -577.908 Base-Backbone interact. energy: 0.651 local terms energy: -616.805195 where: bonds (distance) C4'-P energy: -111.602 bonds (distance) P-C4' energy: -140.516 flat angles C4'-P-C4' energy: -123.573 flat angles P-C4'-P energy: -89.347 tors. eta vs tors. theta energy: -151.766 Dist. restrs. and SS energy: 0.000 (S_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: 124 Temperature: 0.900000 Total energy: -2691.596417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.596417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.596417 (E_RNA) where: Base-Base interactions energy: -1919.461 where: short stacking energy: -753.526 Base-Backbone interact. energy: -1.508 local terms energy: -770.626938 where: bonds (distance) C4'-P energy: -125.584 bonds (distance) P-C4' energy: -160.912 flat angles C4'-P-C4' energy: -157.236 flat angles P-C4'-P energy: -110.017 tors. eta vs tors. theta energy: -216.878 Dist. restrs. and SS energy: 0.000 (S_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: 124 Temperature: 0.950000 Total energy: -2685.928860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.928860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.928860 (E_RNA) where: Base-Base interactions energy: -1917.374 where: short stacking energy: -740.616 Base-Backbone interact. energy: -1.098 local terms energy: -767.456297 where: bonds (distance) C4'-P energy: -114.185 bonds (distance) P-C4' energy: -158.225 flat angles C4'-P-C4' energy: -160.274 flat angles P-C4'-P energy: -114.705 tors. eta vs tors. theta energy: -220.067 Dist. restrs. and SS energy: 0.000 (S_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: 124 Temperature: 1.000000 Total energy: -2652.144213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.144213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.144213 (E_RNA) where: Base-Base interactions energy: -1907.314 where: short stacking energy: -750.590 Base-Backbone interact. energy: -1.618 local terms energy: -743.212020 where: bonds (distance) C4'-P energy: -114.873 bonds (distance) P-C4' energy: -142.520 flat angles C4'-P-C4' energy: -151.469 flat angles P-C4'-P energy: -108.929 tors. eta vs tors. theta energy: -225.421 Dist. restrs. and SS energy: 0.000 (S_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: -2587.044932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.044932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.044932 (E_RNA) where: Base-Base interactions energy: -1839.325 where: short stacking energy: -725.331 Base-Backbone interact. energy: -0.654 local terms energy: -747.065708 where: bonds (distance) C4'-P energy: -123.260 bonds (distance) P-C4' energy: -150.518 flat angles C4'-P-C4' energy: -155.935 flat angles P-C4'-P energy: -98.126 tors. eta vs tors. theta energy: -219.227 Dist. restrs. and SS energy: 0.000 (S_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: 124 Temperature: 1.100000 Total energy: -2538.991519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.991519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.991519 (E_RNA) where: Base-Base interactions energy: -1787.865 where: short stacking energy: -728.810 Base-Backbone interact. energy: -1.191 local terms energy: -749.936097 where: bonds (distance) C4'-P energy: -111.234 bonds (distance) P-C4' energy: -148.105 flat angles C4'-P-C4' energy: -159.460 flat angles P-C4'-P energy: -107.663 tors. eta vs tors. theta energy: -223.474 Dist. restrs. and SS energy: 0.000 (S_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: 124 Temperature: 1.150000 Total energy: -2494.213921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.213921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.213921 (E_RNA) where: Base-Base interactions energy: -1765.861 where: short stacking energy: -713.598 Base-Backbone interact. energy: -1.971 local terms energy: -726.381738 where: bonds (distance) C4'-P energy: -104.238 bonds (distance) P-C4' energy: -144.002 flat angles C4'-P-C4' energy: -154.436 flat angles P-C4'-P energy: -109.112 tors. eta vs tors. theta energy: -214.595 Dist. restrs. and SS energy: 0.000 (S_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: 124 Temperature: 1.200000 Total energy: -2413.185422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.185422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.185422 (E_RNA) where: Base-Base interactions energy: -1716.307 where: short stacking energy: -690.345 Base-Backbone interact. energy: -1.903 local terms energy: -694.975137 where: bonds (distance) C4'-P energy: -115.826 bonds (distance) P-C4' energy: -149.670 flat angles C4'-P-C4' energy: -145.119 flat angles P-C4'-P energy: -88.249 tors. eta vs tors. theta energy: -196.110 Dist. restrs. and SS energy: 0.000 (S_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: 124 Temperature: 1.250000 Total energy: -2323.950492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.950492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.950492 (E_RNA) where: Base-Base interactions energy: -1640.678 where: short stacking energy: -673.944 Base-Backbone interact. energy: -1.284 local terms energy: -681.989306 where: bonds (distance) C4'-P energy: -99.326 bonds (distance) P-C4' energy: -134.622 flat angles C4'-P-C4' energy: -148.305 flat angles P-C4'-P energy: -103.894 tors. eta vs tors. theta energy: -195.842 Dist. restrs. and SS energy: 0.000 (S_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: 124 Temperature: 1.300000 Total energy: -2235.370752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.370752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.370752 (E_RNA) where: Base-Base interactions energy: -1564.325 where: short stacking energy: -653.368 Base-Backbone interact. energy: -1.463 local terms energy: -669.582553 where: bonds (distance) C4'-P energy: -99.586 bonds (distance) P-C4' energy: -141.377 flat angles C4'-P-C4' energy: -151.094 flat angles P-C4'-P energy: -86.201 tors. eta vs tors. theta energy: -191.325 Dist. restrs. and SS energy: 0.000 (S_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: 124 Temperature: 1.350000 Total energy: -1978.765580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.765580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.765580 (E_RNA) where: Base-Base interactions energy: -1364.838 where: short stacking energy: -565.583 Base-Backbone interact. energy: -0.711 local terms energy: -613.216524 where: bonds (distance) C4'-P energy: -114.003 bonds (distance) P-C4' energy: -116.825 flat angles C4'-P-C4' energy: -138.191 flat angles P-C4'-P energy: -87.608 tors. eta vs tors. theta energy: -156.589 Dist. restrs. and SS energy: 0.000 (S_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: 125 Temperature: 0.900000 Total energy: -2721.649161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.649161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.649161 (E_RNA) where: Base-Base interactions energy: -1951.596 where: short stacking energy: -773.106 Base-Backbone interact. energy: -0.594 local terms energy: -769.459140 where: bonds (distance) C4'-P energy: -117.675 bonds (distance) P-C4' energy: -152.854 flat angles C4'-P-C4' energy: -161.239 flat angles P-C4'-P energy: -116.639 tors. eta vs tors. theta energy: -221.051 Dist. restrs. and SS energy: 0.000 (S_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: 125 Temperature: 0.950000 Total energy: -2663.793785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.793785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.793785 (E_RNA) where: Base-Base interactions energy: -1895.186 where: short stacking energy: -761.941 Base-Backbone interact. energy: -1.773 local terms energy: -766.834426 where: bonds (distance) C4'-P energy: -117.342 bonds (distance) P-C4' energy: -146.692 flat angles C4'-P-C4' energy: -159.180 flat angles P-C4'-P energy: -111.482 tors. eta vs tors. theta energy: -232.139 Dist. restrs. and SS energy: 0.000 (S_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: 125 Temperature: 1.000000 Total energy: -2660.331756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.331756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.331756 (E_RNA) where: Base-Base interactions energy: -1902.039 where: short stacking energy: -751.944 Base-Backbone interact. energy: -2.638 local terms energy: -755.654538 where: bonds (distance) C4'-P energy: -113.222 bonds (distance) P-C4' energy: -144.672 flat angles C4'-P-C4' energy: -165.412 flat angles P-C4'-P energy: -111.579 tors. eta vs tors. theta energy: -220.771 Dist. restrs. and SS energy: 0.000 (S_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: 125 Temperature: 1.050000 Total energy: -2597.259595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.259595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.259595 (E_RNA) where: Base-Base interactions energy: -1830.948 where: short stacking energy: -732.068 Base-Backbone interact. energy: -1.892 local terms energy: -764.418951 where: bonds (distance) C4'-P energy: -108.650 bonds (distance) P-C4' energy: -147.872 flat angles C4'-P-C4' energy: -168.655 flat angles P-C4'-P energy: -114.670 tors. eta vs tors. theta energy: -224.571 Dist. restrs. and SS energy: 0.000 (S_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: 125 Temperature: 1.100000 Total energy: -2536.435525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.435525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.435525 (E_RNA) where: Base-Base interactions energy: -1809.180 where: short stacking energy: -735.074 Base-Backbone interact. energy: -1.252 local terms energy: -726.003926 where: bonds (distance) C4'-P energy: -109.940 bonds (distance) P-C4' energy: -152.315 flat angles C4'-P-C4' energy: -142.410 flat angles P-C4'-P energy: -102.652 tors. eta vs tors. theta energy: -218.687 Dist. restrs. and SS energy: 0.000 (S_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: 125 Temperature: 1.150000 Total energy: -2495.186533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.186533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.186533 (E_RNA) where: Base-Base interactions energy: -1760.745 where: short stacking energy: -692.837 Base-Backbone interact. energy: -2.260 local terms energy: -732.182062 where: bonds (distance) C4'-P energy: -105.767 bonds (distance) P-C4' energy: -144.633 flat angles C4'-P-C4' energy: -153.131 flat angles P-C4'-P energy: -108.454 tors. eta vs tors. theta energy: -220.197 Dist. restrs. and SS energy: 0.000 (S_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: 125 Temperature: 1.200000 Total energy: -2452.265374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.265374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.265374 (E_RNA) where: Base-Base interactions energy: -1755.086 where: short stacking energy: -708.431 Base-Backbone interact. energy: -0.929 local terms energy: -696.250998 where: bonds (distance) C4'-P energy: -98.859 bonds (distance) P-C4' energy: -127.804 flat angles C4'-P-C4' energy: -152.811 flat angles P-C4'-P energy: -104.488 tors. eta vs tors. theta energy: -212.289 Dist. restrs. and SS energy: 0.000 (S_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: 125 Temperature: 1.250000 Total energy: -2309.543653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.543653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.543653 (E_RNA) where: Base-Base interactions energy: -1624.247 where: short stacking energy: -644.472 Base-Backbone interact. energy: 3.226 local terms energy: -688.522644 where: bonds (distance) C4'-P energy: -101.940 bonds (distance) P-C4' energy: -149.330 flat angles C4'-P-C4' energy: -148.974 flat angles P-C4'-P energy: -98.318 tors. eta vs tors. theta energy: -189.962 Dist. restrs. and SS energy: 0.000 (S_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: -2246.133885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.133885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.133885 (E_RNA) where: Base-Base interactions energy: -1569.109 where: short stacking energy: -654.752 Base-Backbone interact. energy: -1.686 local terms energy: -675.338628 where: bonds (distance) C4'-P energy: -103.470 bonds (distance) P-C4' energy: -134.412 flat angles C4'-P-C4' energy: -146.401 flat angles P-C4'-P energy: -94.748 tors. eta vs tors. theta energy: -196.307 Dist. restrs. and SS energy: 0.000 (S_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: 125 Temperature: 1.350000 Total energy: -2019.513486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.513486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.513486 (E_RNA) where: Base-Base interactions energy: -1360.525 where: short stacking energy: -570.611 Base-Backbone interact. energy: 1.417 local terms energy: -660.404898 where: bonds (distance) C4'-P energy: -99.380 bonds (distance) P-C4' energy: -141.861 flat angles C4'-P-C4' energy: -142.613 flat angles P-C4'-P energy: -103.930 tors. eta vs tors. theta energy: -172.622 Dist. restrs. and SS energy: 0.000 (S_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: -2759.909250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.909250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.909250 (E_RNA) where: Base-Base interactions energy: -1967.990 where: short stacking energy: -769.211 Base-Backbone interact. energy: -2.997 local terms energy: -788.922127 where: bonds (distance) C4'-P energy: -122.895 bonds (distance) P-C4' energy: -162.820 flat angles C4'-P-C4' energy: -162.214 flat angles P-C4'-P energy: -111.762 tors. eta vs tors. theta energy: -229.231 Dist. restrs. and SS energy: 0.000 (S_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: 126 Temperature: 0.950000 Total energy: -2674.884815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.884815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.884815 (E_RNA) where: Base-Base interactions energy: -1906.315 where: short stacking energy: -760.053 Base-Backbone interact. energy: -0.845 local terms energy: -767.724135 where: bonds (distance) C4'-P energy: -121.709 bonds (distance) P-C4' energy: -155.919 flat angles C4'-P-C4' energy: -150.498 flat angles P-C4'-P energy: -111.637 tors. eta vs tors. theta energy: -227.962 Dist. restrs. and SS energy: 0.000 (S_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: -2662.349031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.349031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.349031 (E_RNA) where: Base-Base interactions energy: -1910.407 where: short stacking energy: -754.325 Base-Backbone interact. energy: 0.671 local terms energy: -752.612878 where: bonds (distance) C4'-P energy: -119.309 bonds (distance) P-C4' energy: -148.541 flat angles C4'-P-C4' energy: -158.272 flat angles P-C4'-P energy: -110.358 tors. eta vs tors. theta energy: -216.132 Dist. restrs. and SS energy: 0.000 (S_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: 126 Temperature: 1.050000 Total energy: -2570.529930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.529930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.529930 (E_RNA) where: Base-Base interactions energy: -1826.360 where: short stacking energy: -721.081 Base-Backbone interact. energy: -1.105 local terms energy: -743.065282 where: bonds (distance) C4'-P energy: -118.601 bonds (distance) P-C4' energy: -137.549 flat angles C4'-P-C4' energy: -160.534 flat angles P-C4'-P energy: -109.132 tors. eta vs tors. theta energy: -217.248 Dist. restrs. and SS energy: 0.000 (S_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: 126 Temperature: 1.100000 Total energy: -2498.934418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.934418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.934418 (E_RNA) where: Base-Base interactions energy: -1772.948 where: short stacking energy: -720.367 Base-Backbone interact. energy: -1.200 local terms energy: -724.785963 where: bonds (distance) C4'-P energy: -115.475 bonds (distance) P-C4' energy: -140.622 flat angles C4'-P-C4' energy: -155.213 flat angles P-C4'-P energy: -91.961 tors. eta vs tors. theta energy: -221.515 Dist. restrs. and SS energy: 0.000 (S_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: 126 Temperature: 1.150000 Total energy: -2506.293734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.293734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.293734 (E_RNA) where: Base-Base interactions energy: -1787.302 where: short stacking energy: -722.746 Base-Backbone interact. energy: -1.740 local terms energy: -717.251432 where: bonds (distance) C4'-P energy: -106.836 bonds (distance) P-C4' energy: -147.938 flat angles C4'-P-C4' energy: -152.536 flat angles P-C4'-P energy: -96.003 tors. eta vs tors. theta energy: -213.939 Dist. restrs. and SS energy: 0.000 (S_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: 126 Temperature: 1.200000 Total energy: -2454.391292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.391292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.391292 (E_RNA) where: Base-Base interactions energy: -1733.963 where: short stacking energy: -695.901 Base-Backbone interact. energy: -1.310 local terms energy: -719.117648 where: bonds (distance) C4'-P energy: -117.666 bonds (distance) P-C4' energy: -149.451 flat angles C4'-P-C4' energy: -147.174 flat angles P-C4'-P energy: -95.397 tors. eta vs tors. theta energy: -209.430 Dist. restrs. and SS energy: 0.000 (S_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: 126 Temperature: 1.250000 Total energy: -2332.553186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.553186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.553186 (E_RNA) where: Base-Base interactions energy: -1665.283 where: short stacking energy: -673.251 Base-Backbone interact. energy: -0.096 local terms energy: -667.173258 where: bonds (distance) C4'-P energy: -101.782 bonds (distance) P-C4' energy: -135.071 flat angles C4'-P-C4' energy: -140.694 flat angles P-C4'-P energy: -92.525 tors. eta vs tors. theta energy: -197.102 Dist. restrs. and SS energy: 0.000 (S_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: 126 Temperature: 1.300000 Total energy: -2211.058862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.058862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.058862 (E_RNA) where: Base-Base interactions energy: -1557.843 where: short stacking energy: -643.280 Base-Backbone interact. energy: 1.131 local terms energy: -654.347339 where: bonds (distance) C4'-P energy: -104.206 bonds (distance) P-C4' energy: -129.628 flat angles C4'-P-C4' energy: -146.105 flat angles P-C4'-P energy: -91.314 tors. eta vs tors. theta energy: -183.094 Dist. restrs. and SS energy: 0.000 (S_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: 126 Temperature: 1.350000 Total energy: -2034.387692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.387692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.387692 (E_RNA) where: Base-Base interactions energy: -1395.522 where: short stacking energy: -580.568 Base-Backbone interact. energy: -2.071 local terms energy: -636.794788 where: bonds (distance) C4'-P energy: -110.625 bonds (distance) P-C4' energy: -139.226 flat angles C4'-P-C4' energy: -137.610 flat angles P-C4'-P energy: -89.920 tors. eta vs tors. theta energy: -159.415 Dist. restrs. and SS energy: 0.000 (S_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: -2726.288042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.288042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.288042 (E_RNA) where: Base-Base interactions energy: -1952.053 where: short stacking energy: -764.911 Base-Backbone interact. energy: -2.395 local terms energy: -771.840266 where: bonds (distance) C4'-P energy: -129.574 bonds (distance) P-C4' energy: -147.377 flat angles C4'-P-C4' energy: -162.470 flat angles P-C4'-P energy: -113.193 tors. eta vs tors. theta energy: -219.227 Dist. restrs. and SS energy: 0.000 (S_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: 127 Temperature: 0.950000 Total energy: -2674.660274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.660274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.660274 (E_RNA) where: Base-Base interactions energy: -1900.125 where: short stacking energy: -746.750 Base-Backbone interact. energy: -2.751 local terms energy: -771.784274 where: bonds (distance) C4'-P energy: -117.187 bonds (distance) P-C4' energy: -150.211 flat angles C4'-P-C4' energy: -161.267 flat angles P-C4'-P energy: -114.601 tors. eta vs tors. theta energy: -228.518 Dist. restrs. and SS energy: 0.000 (S_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: 127 Temperature: 1.000000 Total energy: -2655.396561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.396561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.396561 (E_RNA) where: Base-Base interactions energy: -1900.578 where: short stacking energy: -750.806 Base-Backbone interact. energy: -0.635 local terms energy: -754.183065 where: bonds (distance) C4'-P energy: -112.575 bonds (distance) P-C4' energy: -150.705 flat angles C4'-P-C4' energy: -161.818 flat angles P-C4'-P energy: -102.198 tors. eta vs tors. theta energy: -226.886 Dist. restrs. and SS energy: 0.000 (S_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: 127 Temperature: 1.050000 Total energy: -2550.028695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.028695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.028695 (E_RNA) where: Base-Base interactions energy: -1794.937 where: short stacking energy: -723.721 Base-Backbone interact. energy: -2.502 local terms energy: -752.589744 where: bonds (distance) C4'-P energy: -114.777 bonds (distance) P-C4' energy: -149.782 flat angles C4'-P-C4' energy: -159.542 flat angles P-C4'-P energy: -106.083 tors. eta vs tors. theta energy: -222.406 Dist. restrs. and SS energy: 0.000 (S_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: 127 Temperature: 1.100000 Total energy: -2557.817201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.817201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.817201 (E_RNA) where: Base-Base interactions energy: -1823.748 where: short stacking energy: -734.518 Base-Backbone interact. energy: 1.751 local terms energy: -735.820063 where: bonds (distance) C4'-P energy: -110.853 bonds (distance) P-C4' energy: -148.207 flat angles C4'-P-C4' energy: -150.273 flat angles P-C4'-P energy: -109.724 tors. eta vs tors. theta energy: -216.764 Dist. restrs. and SS energy: 0.000 (S_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: 127 Temperature: 1.150000 Total energy: -2513.518229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.518229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.518229 (E_RNA) where: Base-Base interactions energy: -1778.293 where: short stacking energy: -712.954 Base-Backbone interact. energy: -1.969 local terms energy: -733.256313 where: bonds (distance) C4'-P energy: -109.978 bonds (distance) P-C4' energy: -147.538 flat angles C4'-P-C4' energy: -142.919 flat angles P-C4'-P energy: -114.464 tors. eta vs tors. theta energy: -218.357 Dist. restrs. and SS energy: 0.000 (S_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: 127 Temperature: 1.200000 Total energy: -2447.798149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.798149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.798149 (E_RNA) where: Base-Base interactions energy: -1727.027 where: short stacking energy: -702.700 Base-Backbone interact. energy: -1.951 local terms energy: -718.820853 where: bonds (distance) C4'-P energy: -102.290 bonds (distance) P-C4' energy: -152.042 flat angles C4'-P-C4' energy: -148.502 flat angles P-C4'-P energy: -94.168 tors. eta vs tors. theta energy: -221.820 Dist. restrs. and SS energy: 0.000 (S_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: -2350.141467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.141467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.141467 (E_RNA) where: Base-Base interactions energy: -1692.327 where: short stacking energy: -673.089 Base-Backbone interact. energy: -1.544 local terms energy: -656.270797 where: bonds (distance) C4'-P energy: -86.170 bonds (distance) P-C4' energy: -140.329 flat angles C4'-P-C4' energy: -137.219 flat angles P-C4'-P energy: -99.454 tors. eta vs tors. theta energy: -193.099 Dist. restrs. and SS energy: 0.000 (S_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: 127 Temperature: 1.300000 Total energy: -2235.218104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.218104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.218104 (E_RNA) where: Base-Base interactions energy: -1557.177 where: short stacking energy: -628.462 Base-Backbone interact. energy: 0.828 local terms energy: -678.868661 where: bonds (distance) C4'-P energy: -110.586 bonds (distance) P-C4' energy: -140.710 flat angles C4'-P-C4' energy: -144.139 flat angles P-C4'-P energy: -95.689 tors. eta vs tors. theta energy: -187.744 Dist. restrs. and SS energy: 0.000 (S_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: 127 Temperature: 1.350000 Total energy: -2046.214267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.214267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.214267 (E_RNA) where: Base-Base interactions energy: -1414.699 where: short stacking energy: -588.631 Base-Backbone interact. energy: -1.192 local terms energy: -630.323309 where: bonds (distance) C4'-P energy: -112.582 bonds (distance) P-C4' energy: -124.264 flat angles C4'-P-C4' energy: -142.430 flat angles P-C4'-P energy: -91.171 tors. eta vs tors. theta energy: -159.877 Dist. restrs. and SS energy: 0.000 (S_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: 128 Temperature: 0.900000 Total energy: -2737.063928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.063928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.063928 (E_RNA) where: Base-Base interactions energy: -1943.458 where: short stacking energy: -766.565 Base-Backbone interact. energy: -2.949 local terms energy: -790.657364 where: bonds (distance) C4'-P energy: -130.907 bonds (distance) P-C4' energy: -147.758 flat angles C4'-P-C4' energy: -165.719 flat angles P-C4'-P energy: -119.500 tors. eta vs tors. theta energy: -226.773 Dist. restrs. and SS energy: 0.000 (S_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: 128 Temperature: 0.950000 Total energy: -2676.785481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.785481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.785481 (E_RNA) where: Base-Base interactions energy: -1892.831 where: short stacking energy: -748.160 Base-Backbone interact. energy: -2.072 local terms energy: -781.882541 where: bonds (distance) C4'-P energy: -127.554 bonds (distance) P-C4' energy: -151.780 flat angles C4'-P-C4' energy: -161.468 flat angles P-C4'-P energy: -114.409 tors. eta vs tors. theta energy: -226.671 Dist. restrs. and SS energy: 0.000 (S_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: 128 Temperature: 1.000000 Total energy: -2667.010680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.010680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.010680 (E_RNA) where: Base-Base interactions energy: -1907.750 where: short stacking energy: -751.675 Base-Backbone interact. energy: -2.210 local terms energy: -757.051081 where: bonds (distance) C4'-P energy: -117.400 bonds (distance) P-C4' energy: -154.387 flat angles C4'-P-C4' energy: -152.732 flat angles P-C4'-P energy: -117.489 tors. eta vs tors. theta energy: -215.043 Dist. restrs. and SS energy: 0.000 (S_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: 128 Temperature: 1.050000 Total energy: -2535.643000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.643000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.643000 (E_RNA) where: Base-Base interactions energy: -1803.943 where: short stacking energy: -714.134 Base-Backbone interact. energy: -1.640 local terms energy: -730.060340 where: bonds (distance) C4'-P energy: -128.863 bonds (distance) P-C4' energy: -137.848 flat angles C4'-P-C4' energy: -142.190 flat angles P-C4'-P energy: -108.302 tors. eta vs tors. theta energy: -212.858 Dist. restrs. and SS energy: 0.000 (S_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: 128 Temperature: 1.100000 Total energy: -2567.327335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.327335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.327335 (E_RNA) where: Base-Base interactions energy: -1815.022 where: short stacking energy: -716.257 Base-Backbone interact. energy: -1.111 local terms energy: -751.193782 where: bonds (distance) C4'-P energy: -122.914 bonds (distance) P-C4' energy: -145.009 flat angles C4'-P-C4' energy: -158.520 flat angles P-C4'-P energy: -105.467 tors. eta vs tors. theta energy: -219.283 Dist. restrs. and SS energy: 0.000 (S_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: 128 Temperature: 1.150000 Total energy: -2509.684719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.684719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.684719 (E_RNA) where: Base-Base interactions energy: -1777.548 where: short stacking energy: -698.100 Base-Backbone interact. energy: 0.432 local terms energy: -732.568978 where: bonds (distance) C4'-P energy: -104.282 bonds (distance) P-C4' energy: -148.161 flat angles C4'-P-C4' energy: -158.480 flat angles P-C4'-P energy: -103.785 tors. eta vs tors. theta energy: -217.861 Dist. restrs. and SS energy: 0.000 (S_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: 128 Temperature: 1.200000 Total energy: -2423.143128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.143128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.143128 (E_RNA) where: Base-Base interactions energy: -1727.907 where: short stacking energy: -701.009 Base-Backbone interact. energy: -2.172 local terms energy: -693.063639 where: bonds (distance) C4'-P energy: -106.918 bonds (distance) P-C4' energy: -135.362 flat angles C4'-P-C4' energy: -143.254 flat angles P-C4'-P energy: -100.796 tors. eta vs tors. theta energy: -206.734 Dist. restrs. and SS energy: 0.000 (S_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: 128 Temperature: 1.250000 Total energy: -2358.376579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.376579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.376579 (E_RNA) where: Base-Base interactions energy: -1667.072 where: short stacking energy: -660.178 Base-Backbone interact. energy: -0.763 local terms energy: -690.541833 where: bonds (distance) C4'-P energy: -93.526 bonds (distance) P-C4' energy: -146.866 flat angles C4'-P-C4' energy: -142.718 flat angles P-C4'-P energy: -110.526 tors. eta vs tors. theta energy: -196.905 Dist. restrs. and SS energy: 0.000 (S_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: -2255.170185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.170185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.170185 (E_RNA) where: Base-Base interactions energy: -1601.587 where: short stacking energy: -634.230 Base-Backbone interact. energy: -1.451 local terms energy: -652.132859 where: bonds (distance) C4'-P energy: -103.110 bonds (distance) P-C4' energy: -135.744 flat angles C4'-P-C4' energy: -133.520 flat angles P-C4'-P energy: -86.683 tors. eta vs tors. theta energy: -193.075 Dist. restrs. and SS energy: 0.000 (S_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: 128 Temperature: 1.350000 Total energy: -1978.049790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.049790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.049790 (E_RNA) where: Base-Base interactions energy: -1342.953 where: short stacking energy: -559.534 Base-Backbone interact. energy: -2.500 local terms energy: -632.596763 where: bonds (distance) C4'-P energy: -107.526 bonds (distance) P-C4' energy: -142.344 flat angles C4'-P-C4' energy: -137.402 flat angles P-C4'-P energy: -98.157 tors. eta vs tors. theta energy: -147.167 Dist. restrs. and SS energy: 0.000 (S_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: 129 Temperature: 0.900000 Total energy: -2698.789565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.789565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.789565 (E_RNA) where: Base-Base interactions energy: -1924.425 where: short stacking energy: -758.208 Base-Backbone interact. energy: -0.531 local terms energy: -773.833947 where: bonds (distance) C4'-P energy: -121.970 bonds (distance) P-C4' energy: -151.804 flat angles C4'-P-C4' energy: -160.507 flat angles P-C4'-P energy: -116.369 tors. eta vs tors. theta energy: -223.184 Dist. restrs. and SS energy: 0.000 (S_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: 129 Temperature: 0.950000 Total energy: -2661.521226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.521226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.521226 (E_RNA) where: Base-Base interactions energy: -1902.785 where: short stacking energy: -752.582 Base-Backbone interact. energy: -4.834 local terms energy: -753.901368 where: bonds (distance) C4'-P energy: -108.175 bonds (distance) P-C4' energy: -152.052 flat angles C4'-P-C4' energy: -163.406 flat angles P-C4'-P energy: -108.781 tors. eta vs tors. theta energy: -221.488 Dist. restrs. and SS energy: 0.000 (S_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: 129 Temperature: 1.000000 Total energy: -2664.745749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.745749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.745749 (E_RNA) where: Base-Base interactions energy: -1892.106 where: short stacking energy: -739.505 Base-Backbone interact. energy: -2.669 local terms energy: -769.970786 where: bonds (distance) C4'-P energy: -130.130 bonds (distance) P-C4' energy: -140.299 flat angles C4'-P-C4' energy: -158.021 flat angles P-C4'-P energy: -121.928 tors. eta vs tors. theta energy: -219.594 Dist. restrs. and SS energy: 0.000 (S_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: -2568.913729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.913729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.913729 (E_RNA) where: Base-Base interactions energy: -1819.791 where: short stacking energy: -732.183 Base-Backbone interact. energy: -2.904 local terms energy: -746.218149 where: bonds (distance) C4'-P energy: -115.836 bonds (distance) P-C4' energy: -139.209 flat angles C4'-P-C4' energy: -147.212 flat angles P-C4'-P energy: -117.955 tors. eta vs tors. theta energy: -226.006 Dist. restrs. and SS energy: 0.000 (S_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: 129 Temperature: 1.100000 Total energy: -2565.879952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.879952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.879952 (E_RNA) where: Base-Base interactions energy: -1804.376 where: short stacking energy: -720.561 Base-Backbone interact. energy: -2.917 local terms energy: -758.587821 where: bonds (distance) C4'-P energy: -119.734 bonds (distance) P-C4' energy: -157.393 flat angles C4'-P-C4' energy: -151.407 flat angles P-C4'-P energy: -111.589 tors. eta vs tors. theta energy: -218.464 Dist. restrs. and SS energy: 0.000 (S_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: 129 Temperature: 1.150000 Total energy: -2539.293223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.293223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.293223 (E_RNA) where: Base-Base interactions energy: -1799.047 where: short stacking energy: -711.463 Base-Backbone interact. energy: 1.519 local terms energy: -741.765055 where: bonds (distance) C4'-P energy: -109.007 bonds (distance) P-C4' energy: -142.111 flat angles C4'-P-C4' energy: -160.256 flat angles P-C4'-P energy: -107.787 tors. eta vs tors. theta energy: -222.604 Dist. restrs. and SS energy: 0.000 (S_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: 129 Temperature: 1.200000 Total energy: -2444.129271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.129271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.129271 (E_RNA) where: Base-Base interactions energy: -1734.575 where: short stacking energy: -708.848 Base-Backbone interact. energy: -0.082 local terms energy: -709.471791 where: bonds (distance) C4'-P energy: -106.472 bonds (distance) P-C4' energy: -128.489 flat angles C4'-P-C4' energy: -156.357 flat angles P-C4'-P energy: -102.036 tors. eta vs tors. theta energy: -216.118 Dist. restrs. and SS energy: 0.000 (S_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: 129 Temperature: 1.250000 Total energy: -2302.792721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.792721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.792721 (E_RNA) where: Base-Base interactions energy: -1608.440 where: short stacking energy: -636.222 Base-Backbone interact. energy: 2.275 local terms energy: -696.627905 where: bonds (distance) C4'-P energy: -115.153 bonds (distance) P-C4' energy: -143.131 flat angles C4'-P-C4' energy: -147.823 flat angles P-C4'-P energy: -98.257 tors. eta vs tors. theta energy: -192.265 Dist. restrs. and SS energy: 0.000 (S_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: 129 Temperature: 1.300000 Total energy: -2183.602903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.602903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.602903 (E_RNA) where: Base-Base interactions energy: -1525.528 where: short stacking energy: -614.689 Base-Backbone interact. energy: -1.533 local terms energy: -656.541924 where: bonds (distance) C4'-P energy: -99.174 bonds (distance) P-C4' energy: -142.360 flat angles C4'-P-C4' energy: -141.898 flat angles P-C4'-P energy: -99.046 tors. eta vs tors. theta energy: -174.063 Dist. restrs. and SS energy: 0.000 (S_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: 129 Temperature: 1.350000 Total energy: -2042.229843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.229843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.229843 (E_RNA) where: Base-Base interactions energy: -1404.477 where: short stacking energy: -594.370 Base-Backbone interact. energy: -3.543 local terms energy: -634.210428 where: bonds (distance) C4'-P energy: -99.690 bonds (distance) P-C4' energy: -136.376 flat angles C4'-P-C4' energy: -134.596 flat angles P-C4'-P energy: -93.088 tors. eta vs tors. theta energy: -170.461 Dist. restrs. and SS energy: 0.000 (S_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: 130 Temperature: 0.900000 Total energy: -2706.298841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.298841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.298841 (E_RNA) where: Base-Base interactions energy: -1952.614 where: short stacking energy: -765.027 Base-Backbone interact. energy: -2.147 local terms energy: -751.537720 where: bonds (distance) C4'-P energy: -105.652 bonds (distance) P-C4' energy: -148.287 flat angles C4'-P-C4' energy: -161.551 flat angles P-C4'-P energy: -110.687 tors. eta vs tors. theta energy: -225.360 Dist. restrs. and SS energy: 0.000 (S_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: 130 Temperature: 0.950000 Total energy: -2661.377605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.377605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.377605 (E_RNA) where: Base-Base interactions energy: -1902.368 where: short stacking energy: -764.459 Base-Backbone interact. energy: 5.291 local terms energy: -764.300256 where: bonds (distance) C4'-P energy: -130.517 bonds (distance) P-C4' energy: -145.467 flat angles C4'-P-C4' energy: -149.914 flat angles P-C4'-P energy: -111.809 tors. eta vs tors. theta energy: -226.594 Dist. restrs. and SS energy: 0.000 (S_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: 130 Temperature: 1.000000 Total energy: -2650.422701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.422701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.422701 (E_RNA) where: Base-Base interactions energy: -1890.897 where: short stacking energy: -741.288 Base-Backbone interact. energy: -2.338 local terms energy: -757.187473 where: bonds (distance) C4'-P energy: -126.375 bonds (distance) P-C4' energy: -155.186 flat angles C4'-P-C4' energy: -154.987 flat angles P-C4'-P energy: -102.003 tors. eta vs tors. theta energy: -218.635 Dist. restrs. and SS energy: 0.000 (S_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: 130 Temperature: 1.050000 Total energy: -2563.187220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.187220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.187220 (E_RNA) where: Base-Base interactions energy: -1807.783 where: short stacking energy: -736.937 Base-Backbone interact. energy: -2.472 local terms energy: -752.932718 where: bonds (distance) C4'-P energy: -113.017 bonds (distance) P-C4' energy: -144.353 flat angles C4'-P-C4' energy: -160.784 flat angles P-C4'-P energy: -111.233 tors. eta vs tors. theta energy: -223.546 Dist. restrs. and SS energy: 0.000 (S_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: 130 Temperature: 1.100000 Total energy: -2578.946101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.946101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.946101 (E_RNA) where: Base-Base interactions energy: -1827.292 where: short stacking energy: -721.223 Base-Backbone interact. energy: -1.918 local terms energy: -749.735880 where: bonds (distance) C4'-P energy: -120.624 bonds (distance) P-C4' energy: -148.724 flat angles C4'-P-C4' energy: -157.685 flat angles P-C4'-P energy: -109.668 tors. eta vs tors. theta energy: -213.035 Dist. restrs. and SS energy: 0.000 (S_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: 130 Temperature: 1.150000 Total energy: -2503.250413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.250413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.250413 (E_RNA) where: Base-Base interactions energy: -1780.101 where: short stacking energy: -720.736 Base-Backbone interact. energy: -3.381 local terms energy: -719.768755 where: bonds (distance) C4'-P energy: -104.932 bonds (distance) P-C4' energy: -145.664 flat angles C4'-P-C4' energy: -150.571 flat angles P-C4'-P energy: -103.340 tors. eta vs tors. theta energy: -215.261 Dist. restrs. and SS energy: 0.000 (S_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: 130 Temperature: 1.200000 Total energy: -2436.532457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.532457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.532457 (E_RNA) where: Base-Base interactions energy: -1729.958 where: short stacking energy: -702.684 Base-Backbone interact. energy: -1.643 local terms energy: -704.931195 where: bonds (distance) C4'-P energy: -103.600 bonds (distance) P-C4' energy: -149.135 flat angles C4'-P-C4' energy: -158.807 flat angles P-C4'-P energy: -92.532 tors. eta vs tors. theta energy: -200.858 Dist. restrs. and SS energy: 0.000 (S_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: 130 Temperature: 1.250000 Total energy: -2340.275660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.275660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.275660 (E_RNA) where: Base-Base interactions energy: -1630.586 where: short stacking energy: -665.363 Base-Backbone interact. energy: 3.338 local terms energy: -713.027381 where: bonds (distance) C4'-P energy: -113.752 bonds (distance) P-C4' energy: -147.115 flat angles C4'-P-C4' energy: -151.607 flat angles P-C4'-P energy: -99.672 tors. eta vs tors. theta energy: -200.881 Dist. restrs. and SS energy: 0.000 (S_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: 130 Temperature: 1.300000 Total energy: -2218.799579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.799579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.799579 (E_RNA) where: Base-Base interactions energy: -1549.108 where: short stacking energy: -632.277 Base-Backbone interact. energy: 0.262 local terms energy: -669.952866 where: bonds (distance) C4'-P energy: -108.023 bonds (distance) P-C4' energy: -137.010 flat angles C4'-P-C4' energy: -151.316 flat angles P-C4'-P energy: -91.401 tors. eta vs tors. theta energy: -182.202 Dist. restrs. and SS energy: 0.000 (S_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: 130 Temperature: 1.350000 Total energy: -1988.031912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.031912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.031912 (E_RNA) where: Base-Base interactions energy: -1351.655 where: short stacking energy: -560.344 Base-Backbone interact. energy: -1.528 local terms energy: -634.848256 where: bonds (distance) C4'-P energy: -108.957 bonds (distance) P-C4' energy: -147.987 flat angles C4'-P-C4' energy: -135.012 flat angles P-C4'-P energy: -90.030 tors. eta vs tors. theta energy: -152.862 Dist. restrs. and SS energy: 0.000 (S_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: 131 Temperature: 0.900000 Total energy: -2705.547211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.547211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.547211 (E_RNA) where: Base-Base interactions energy: -1930.942 where: short stacking energy: -768.445 Base-Backbone interact. energy: -1.886 local terms energy: -772.719569 where: bonds (distance) C4'-P energy: -121.150 bonds (distance) P-C4' energy: -152.514 flat angles C4'-P-C4' energy: -165.992 flat angles P-C4'-P energy: -110.616 tors. eta vs tors. theta energy: -222.447 Dist. restrs. and SS energy: 0.000 (S_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: 131 Temperature: 0.950000 Total energy: -2654.855574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.855574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.855574 (E_RNA) where: Base-Base interactions energy: -1881.908 where: short stacking energy: -732.075 Base-Backbone interact. energy: -3.173 local terms energy: -769.774488 where: bonds (distance) C4'-P energy: -136.614 bonds (distance) P-C4' energy: -141.946 flat angles C4'-P-C4' energy: -160.258 flat angles P-C4'-P energy: -112.453 tors. eta vs tors. theta energy: -218.504 Dist. restrs. and SS energy: 0.000 (S_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: 131 Temperature: 1.000000 Total energy: -2652.191385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.191385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.191385 (E_RNA) where: Base-Base interactions energy: -1907.610 where: short stacking energy: -769.739 Base-Backbone interact. energy: -0.814 local terms energy: -743.767608 where: bonds (distance) C4'-P energy: -108.247 bonds (distance) P-C4' energy: -145.277 flat angles C4'-P-C4' energy: -156.324 flat angles P-C4'-P energy: -108.353 tors. eta vs tors. theta energy: -225.567 Dist. restrs. and SS energy: 0.000 (S_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: 131 Temperature: 1.050000 Total energy: -2589.651821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.651821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.651821 (E_RNA) where: Base-Base interactions energy: -1841.382 where: short stacking energy: -750.870 Base-Backbone interact. energy: -1.889 local terms energy: -746.380871 where: bonds (distance) C4'-P energy: -107.602 bonds (distance) P-C4' energy: -142.587 flat angles C4'-P-C4' energy: -160.049 flat angles P-C4'-P energy: -112.717 tors. eta vs tors. theta energy: -223.426 Dist. restrs. and SS energy: 0.000 (S_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: 131 Temperature: 1.100000 Total energy: -2596.522267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.522267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.522267 (E_RNA) where: Base-Base interactions energy: -1828.863 where: short stacking energy: -748.570 Base-Backbone interact. energy: 0.924 local terms energy: -768.583692 where: bonds (distance) C4'-P energy: -115.593 bonds (distance) P-C4' energy: -154.683 flat angles C4'-P-C4' energy: -161.099 flat angles P-C4'-P energy: -107.453 tors. eta vs tors. theta energy: -229.756 Dist. restrs. and SS energy: 0.000 (S_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: 131 Temperature: 1.150000 Total energy: -2511.582689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.582689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.582689 (E_RNA) where: Base-Base interactions energy: -1794.580 where: short stacking energy: -735.991 Base-Backbone interact. energy: 2.223 local terms energy: -719.225162 where: bonds (distance) C4'-P energy: -98.536 bonds (distance) P-C4' energy: -148.139 flat angles C4'-P-C4' energy: -153.073 flat angles P-C4'-P energy: -99.656 tors. eta vs tors. theta energy: -219.821 Dist. restrs. and SS energy: 0.000 (S_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: -2444.802979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.802979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.802979 (E_RNA) where: Base-Base interactions energy: -1709.685 where: short stacking energy: -692.302 Base-Backbone interact. energy: -1.597 local terms energy: -733.520786 where: bonds (distance) C4'-P energy: -111.855 bonds (distance) P-C4' energy: -143.179 flat angles C4'-P-C4' energy: -159.988 flat angles P-C4'-P energy: -107.443 tors. eta vs tors. theta energy: -211.056 Dist. restrs. and SS energy: 0.000 (S_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: 131 Temperature: 1.250000 Total energy: -2329.821593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.821593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.821593 (E_RNA) where: Base-Base interactions energy: -1636.491 where: short stacking energy: -655.987 Base-Backbone interact. energy: 0.222 local terms energy: -693.552836 where: bonds (distance) C4'-P energy: -107.820 bonds (distance) P-C4' energy: -146.238 flat angles C4'-P-C4' energy: -153.758 flat angles P-C4'-P energy: -89.597 tors. eta vs tors. theta energy: -196.140 Dist. restrs. and SS energy: 0.000 (S_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: 131 Temperature: 1.300000 Total energy: -2231.483198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.483198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.483198 (E_RNA) where: Base-Base interactions energy: -1567.251 where: short stacking energy: -636.061 Base-Backbone interact. energy: -2.500 local terms energy: -661.732139 where: bonds (distance) C4'-P energy: -98.951 bonds (distance) P-C4' energy: -141.815 flat angles C4'-P-C4' energy: -124.639 flat angles P-C4'-P energy: -108.534 tors. eta vs tors. theta energy: -187.793 Dist. restrs. and SS energy: 0.000 (S_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: 131 Temperature: 1.350000 Total energy: -2012.736711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.736711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.736711 (E_RNA) where: Base-Base interactions energy: -1349.117 where: short stacking energy: -562.560 Base-Backbone interact. energy: 4.878 local terms energy: -668.498287 where: bonds (distance) C4'-P energy: -120.158 bonds (distance) P-C4' energy: -147.442 flat angles C4'-P-C4' energy: -145.152 flat angles P-C4'-P energy: -101.941 tors. eta vs tors. theta energy: -153.805 Dist. restrs. and SS energy: 0.000 (S_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: 132 Temperature: 0.900000 Total energy: -2702.136416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.136416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.136416 (E_RNA) where: Base-Base interactions energy: -1932.577 where: short stacking energy: -763.397 Base-Backbone interact. energy: -2.308 local terms energy: -767.250920 where: bonds (distance) C4'-P energy: -126.777 bonds (distance) P-C4' energy: -142.490 flat angles C4'-P-C4' energy: -165.088 flat angles P-C4'-P energy: -112.670 tors. eta vs tors. theta energy: -220.226 Dist. restrs. and SS energy: 0.000 (S_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: 132 Temperature: 0.950000 Total energy: -2674.051220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.051220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.051220 (E_RNA) where: Base-Base interactions energy: -1900.595 where: short stacking energy: -763.952 Base-Backbone interact. energy: 0.495 local terms energy: -773.951363 where: bonds (distance) C4'-P energy: -111.585 bonds (distance) P-C4' energy: -161.556 flat angles C4'-P-C4' energy: -164.048 flat angles P-C4'-P energy: -110.595 tors. eta vs tors. theta energy: -226.167 Dist. restrs. and SS energy: 0.000 (S_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: 132 Temperature: 1.000000 Total energy: -2654.926680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.926680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.926680 (E_RNA) where: Base-Base interactions energy: -1902.146 where: short stacking energy: -758.027 Base-Backbone interact. energy: -2.220 local terms energy: -750.560795 where: bonds (distance) C4'-P energy: -116.504 bonds (distance) P-C4' energy: -144.439 flat angles C4'-P-C4' energy: -154.736 flat angles P-C4'-P energy: -104.970 tors. eta vs tors. theta energy: -229.912 Dist. restrs. and SS energy: 0.000 (S_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: 132 Temperature: 1.050000 Total energy: -2596.514203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.514203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.514203 (E_RNA) where: Base-Base interactions energy: -1831.400 where: short stacking energy: -749.197 Base-Backbone interact. energy: -2.670 local terms energy: -762.444415 where: bonds (distance) C4'-P energy: -118.658 bonds (distance) P-C4' energy: -158.355 flat angles C4'-P-C4' energy: -153.413 flat angles P-C4'-P energy: -108.939 tors. eta vs tors. theta energy: -223.078 Dist. restrs. and SS energy: 0.000 (S_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: 132 Temperature: 1.100000 Total energy: -2588.986163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.986163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.986163 (E_RNA) where: Base-Base interactions energy: -1833.850 where: short stacking energy: -750.786 Base-Backbone interact. energy: -0.980 local terms energy: -754.155698 where: bonds (distance) C4'-P energy: -122.188 bonds (distance) P-C4' energy: -146.230 flat angles C4'-P-C4' energy: -159.031 flat angles P-C4'-P energy: -101.769 tors. eta vs tors. theta energy: -224.938 Dist. restrs. and SS energy: 0.000 (S_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: 132 Temperature: 1.150000 Total energy: -2486.377342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.377342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.377342 (E_RNA) where: Base-Base interactions energy: -1788.283 where: short stacking energy: -724.423 Base-Backbone interact. energy: -2.094 local terms energy: -696.000285 where: bonds (distance) C4'-P energy: -101.364 bonds (distance) P-C4' energy: -133.596 flat angles C4'-P-C4' energy: -146.653 flat angles P-C4'-P energy: -93.960 tors. eta vs tors. theta energy: -220.428 Dist. restrs. and SS energy: 0.000 (S_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: 132 Temperature: 1.200000 Total energy: -2439.193117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.193117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.193117 (E_RNA) where: Base-Base interactions energy: -1729.914 where: short stacking energy: -690.647 Base-Backbone interact. energy: 1.619 local terms energy: -710.898402 where: bonds (distance) C4'-P energy: -121.977 bonds (distance) P-C4' energy: -130.626 flat angles C4'-P-C4' energy: -144.691 flat angles P-C4'-P energy: -104.182 tors. eta vs tors. theta energy: -209.422 Dist. restrs. and SS energy: 0.000 (S_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: 132 Temperature: 1.250000 Total energy: -2342.411456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.411456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.411456 (E_RNA) where: Base-Base interactions energy: -1640.896 where: short stacking energy: -664.906 Base-Backbone interact. energy: -1.281 local terms energy: -700.235113 where: bonds (distance) C4'-P energy: -96.433 bonds (distance) P-C4' energy: -146.245 flat angles C4'-P-C4' energy: -157.154 flat angles P-C4'-P energy: -105.036 tors. eta vs tors. theta energy: -195.367 Dist. restrs. and SS energy: 0.000 (S_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: 132 Temperature: 1.300000 Total energy: -2198.549402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.549402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.549402 (E_RNA) where: Base-Base interactions energy: -1543.600 where: short stacking energy: -629.694 Base-Backbone interact. energy: -0.974 local terms energy: -653.975216 where: bonds (distance) C4'-P energy: -100.527 bonds (distance) P-C4' energy: -148.862 flat angles C4'-P-C4' energy: -139.625 flat angles P-C4'-P energy: -80.825 tors. eta vs tors. theta energy: -184.135 Dist. restrs. and SS energy: 0.000 (S_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: 132 Temperature: 1.350000 Total energy: -1987.537663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.537663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.537663 (E_RNA) where: Base-Base interactions energy: -1365.490 where: short stacking energy: -565.932 Base-Backbone interact. energy: -0.629 local terms energy: -621.418650 where: bonds (distance) C4'-P energy: -108.704 bonds (distance) P-C4' energy: -125.242 flat angles C4'-P-C4' energy: -134.076 flat angles P-C4'-P energy: -102.763 tors. eta vs tors. theta energy: -150.633 Dist. restrs. and SS energy: 0.000 (S_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: 133 Temperature: 0.900000 Total energy: -2720.492419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.492419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.492419 (E_RNA) where: Base-Base interactions energy: -1924.882 where: short stacking energy: -760.638 Base-Backbone interact. energy: 1.309 local terms energy: -796.918973 where: bonds (distance) C4'-P energy: -137.001 bonds (distance) P-C4' energy: -153.944 flat angles C4'-P-C4' energy: -162.137 flat angles P-C4'-P energy: -120.379 tors. eta vs tors. theta energy: -223.459 Dist. restrs. and SS energy: 0.000 (S_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: 133 Temperature: 0.950000 Total energy: -2673.811639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.811639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.811639 (E_RNA) where: Base-Base interactions energy: -1909.624 where: short stacking energy: -749.442 Base-Backbone interact. energy: -3.404 local terms energy: -760.783782 where: bonds (distance) C4'-P energy: -124.988 bonds (distance) P-C4' energy: -148.803 flat angles C4'-P-C4' energy: -156.978 flat angles P-C4'-P energy: -103.027 tors. eta vs tors. theta energy: -226.987 Dist. restrs. and SS energy: 0.000 (S_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: 133 Temperature: 1.000000 Total energy: -2633.864473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.864473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.864473 (E_RNA) where: Base-Base interactions energy: -1869.490 where: short stacking energy: -749.989 Base-Backbone interact. energy: -1.817 local terms energy: -762.557982 where: bonds (distance) C4'-P energy: -119.564 bonds (distance) P-C4' energy: -151.484 flat angles C4'-P-C4' energy: -153.739 flat angles P-C4'-P energy: -109.590 tors. eta vs tors. theta energy: -228.182 Dist. restrs. and SS energy: 0.000 (S_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: 133 Temperature: 1.050000 Total energy: -2596.774706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.774706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.774706 (E_RNA) where: Base-Base interactions energy: -1831.954 where: short stacking energy: -740.098 Base-Backbone interact. energy: -2.978 local terms energy: -761.842296 where: bonds (distance) C4'-P energy: -115.316 bonds (distance) P-C4' energy: -155.338 flat angles C4'-P-C4' energy: -165.257 flat angles P-C4'-P energy: -99.290 tors. eta vs tors. theta energy: -226.641 Dist. restrs. and SS energy: 0.000 (S_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: 133 Temperature: 1.100000 Total energy: -2564.302760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.302760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.302760 (E_RNA) where: Base-Base interactions energy: -1834.756 where: short stacking energy: -731.324 Base-Backbone interact. energy: -0.935 local terms energy: -728.612637 where: bonds (distance) C4'-P energy: -106.908 bonds (distance) P-C4' energy: -143.377 flat angles C4'-P-C4' energy: -149.066 flat angles P-C4'-P energy: -108.432 tors. eta vs tors. theta energy: -220.830 Dist. restrs. and SS energy: 0.000 (S_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: -2489.953863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.953863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.953863 (E_RNA) where: Base-Base interactions energy: -1768.051 where: short stacking energy: -715.536 Base-Backbone interact. energy: -1.708 local terms energy: -720.195061 where: bonds (distance) C4'-P energy: -116.537 bonds (distance) P-C4' energy: -134.218 flat angles C4'-P-C4' energy: -158.184 flat angles P-C4'-P energy: -100.908 tors. eta vs tors. theta energy: -210.348 Dist. restrs. and SS energy: 0.000 (S_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: 133 Temperature: 1.200000 Total energy: -2416.594826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.594826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.594826 (E_RNA) where: Base-Base interactions energy: -1708.199 where: short stacking energy: -689.569 Base-Backbone interact. energy: -2.817 local terms energy: -705.578664 where: bonds (distance) C4'-P energy: -106.621 bonds (distance) P-C4' energy: -145.134 flat angles C4'-P-C4' energy: -152.377 flat angles P-C4'-P energy: -97.097 tors. eta vs tors. theta energy: -204.350 Dist. restrs. and SS energy: 0.000 (S_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: 133 Temperature: 1.250000 Total energy: -2324.060904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.060904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.060904 (E_RNA) where: Base-Base interactions energy: -1626.787 where: short stacking energy: -674.978 Base-Backbone interact. energy: -0.492 local terms energy: -696.781862 where: bonds (distance) C4'-P energy: -115.415 bonds (distance) P-C4' energy: -148.696 flat angles C4'-P-C4' energy: -141.815 flat angles P-C4'-P energy: -101.980 tors. eta vs tors. theta energy: -188.876 Dist. restrs. and SS energy: 0.000 (S_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: 133 Temperature: 1.300000 Total energy: -2236.175763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.175763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.175763 (E_RNA) where: Base-Base interactions energy: -1570.850 where: short stacking energy: -651.614 Base-Backbone interact. energy: 1.788 local terms energy: -667.113109 where: bonds (distance) C4'-P energy: -109.028 bonds (distance) P-C4' energy: -135.348 flat angles C4'-P-C4' energy: -138.928 flat angles P-C4'-P energy: -90.729 tors. eta vs tors. theta energy: -193.080 Dist. restrs. and SS energy: 0.000 (S_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: 133 Temperature: 1.350000 Total energy: -1965.828925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.828925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.828925 (E_RNA) where: Base-Base interactions energy: -1360.316 where: short stacking energy: -564.041 Base-Backbone interact. energy: 3.981 local terms energy: -609.494308 where: bonds (distance) C4'-P energy: -106.355 bonds (distance) P-C4' energy: -125.838 flat angles C4'-P-C4' energy: -139.530 flat angles P-C4'-P energy: -86.167 tors. eta vs tors. theta energy: -151.605 Dist. restrs. and SS energy: 0.000 (S_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: 134 Temperature: 0.900000 Total energy: -2718.526969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.526969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.526969 (E_RNA) where: Base-Base interactions energy: -1947.930 where: short stacking energy: -760.627 Base-Backbone interact. energy: 0.031 local terms energy: -770.628284 where: bonds (distance) C4'-P energy: -123.155 bonds (distance) P-C4' energy: -152.325 flat angles C4'-P-C4' energy: -163.454 flat angles P-C4'-P energy: -113.646 tors. eta vs tors. theta energy: -218.048 Dist. restrs. and SS energy: 0.000 (S_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: 134 Temperature: 0.950000 Total energy: -2675.801668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.801668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.801668 (E_RNA) where: Base-Base interactions energy: -1906.449 where: short stacking energy: -760.316 Base-Backbone interact. energy: -2.033 local terms energy: -767.318990 where: bonds (distance) C4'-P energy: -114.424 bonds (distance) P-C4' energy: -139.032 flat angles C4'-P-C4' energy: -163.657 flat angles P-C4'-P energy: -114.846 tors. eta vs tors. theta energy: -235.360 Dist. restrs. and SS energy: 0.000 (S_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: 134 Temperature: 1.000000 Total energy: -2641.159528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.159528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.159528 (E_RNA) where: Base-Base interactions energy: -1880.936 where: short stacking energy: -732.189 Base-Backbone interact. energy: -2.338 local terms energy: -757.884625 where: bonds (distance) C4'-P energy: -106.037 bonds (distance) P-C4' energy: -155.803 flat angles C4'-P-C4' energy: -154.604 flat angles P-C4'-P energy: -112.324 tors. eta vs tors. theta energy: -229.118 Dist. restrs. and SS energy: 0.000 (S_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: 134 Temperature: 1.050000 Total energy: -2596.171866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.171866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.171866 (E_RNA) where: Base-Base interactions energy: -1845.979 where: short stacking energy: -743.287 Base-Backbone interact. energy: -1.650 local terms energy: -748.542515 where: bonds (distance) C4'-P energy: -119.813 bonds (distance) P-C4' energy: -151.821 flat angles C4'-P-C4' energy: -154.342 flat angles P-C4'-P energy: -101.326 tors. eta vs tors. theta energy: -221.240 Dist. restrs. and SS energy: 0.000 (S_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: 134 Temperature: 1.100000 Total energy: -2524.854071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.854071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.854071 (E_RNA) where: Base-Base interactions energy: -1781.041 where: short stacking energy: -735.824 Base-Backbone interact. energy: 0.046 local terms energy: -743.859075 where: bonds (distance) C4'-P energy: -115.710 bonds (distance) P-C4' energy: -140.279 flat angles C4'-P-C4' energy: -157.977 flat angles P-C4'-P energy: -104.884 tors. eta vs tors. theta energy: -225.008 Dist. restrs. and SS energy: 0.000 (S_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: 134 Temperature: 1.150000 Total energy: -2494.488577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.488577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.488577 (E_RNA) where: Base-Base interactions energy: -1767.771 where: short stacking energy: -722.149 Base-Backbone interact. energy: -0.070 local terms energy: -726.648203 where: bonds (distance) C4'-P energy: -103.051 bonds (distance) P-C4' energy: -148.840 flat angles C4'-P-C4' energy: -153.918 flat angles P-C4'-P energy: -96.993 tors. eta vs tors. theta energy: -223.846 Dist. restrs. and SS energy: 0.000 (S_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: 134 Temperature: 1.200000 Total energy: -2429.391798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.391798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.391798 (E_RNA) where: Base-Base interactions energy: -1714.257 where: short stacking energy: -684.568 Base-Backbone interact. energy: -2.116 local terms energy: -713.019200 where: bonds (distance) C4'-P energy: -114.815 bonds (distance) P-C4' energy: -139.930 flat angles C4'-P-C4' energy: -148.943 flat angles P-C4'-P energy: -100.614 tors. eta vs tors. theta energy: -208.718 Dist. restrs. and SS energy: 0.000 (S_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: 134 Temperature: 1.250000 Total energy: -2303.991593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.991593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.991593 (E_RNA) where: Base-Base interactions energy: -1636.582 where: short stacking energy: -648.148 Base-Backbone interact. energy: -1.456 local terms energy: -665.953584 where: bonds (distance) C4'-P energy: -104.003 bonds (distance) P-C4' energy: -129.986 flat angles C4'-P-C4' energy: -145.393 flat angles P-C4'-P energy: -100.062 tors. eta vs tors. theta energy: -186.509 Dist. restrs. and SS energy: 0.000 (S_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: 134 Temperature: 1.300000 Total energy: -2271.651919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.651919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.651919 (E_RNA) where: Base-Base interactions energy: -1597.245 where: short stacking energy: -651.660 Base-Backbone interact. energy: -1.209 local terms energy: -673.197934 where: bonds (distance) C4'-P energy: -107.111 bonds (distance) P-C4' energy: -123.537 flat angles C4'-P-C4' energy: -152.818 flat angles P-C4'-P energy: -90.422 tors. eta vs tors. theta energy: -199.309 Dist. restrs. and SS energy: 0.000 (S_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: 134 Temperature: 1.350000 Total energy: -1966.117957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.117957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.117957 (E_RNA) where: Base-Base interactions energy: -1349.918 where: short stacking energy: -560.745 Base-Backbone interact. energy: -0.613 local terms energy: -615.587439 where: bonds (distance) C4'-P energy: -100.305 bonds (distance) P-C4' energy: -132.744 flat angles C4'-P-C4' energy: -138.073 flat angles P-C4'-P energy: -84.857 tors. eta vs tors. theta energy: -159.609 Dist. restrs. and SS energy: 0.000 (S_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: 135 Temperature: 0.900000 Total energy: -2729.434261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.434261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.434261 (E_RNA) where: Base-Base interactions energy: -1950.807 where: short stacking energy: -771.739 Base-Backbone interact. energy: 0.249 local terms energy: -778.876579 where: bonds (distance) C4'-P energy: -118.772 bonds (distance) P-C4' energy: -161.204 flat angles C4'-P-C4' energy: -160.017 flat angles P-C4'-P energy: -105.171 tors. eta vs tors. theta energy: -233.713 Dist. restrs. and SS energy: 0.000 (S_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: 135 Temperature: 0.950000 Total energy: -2667.782780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.782780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.782780 (E_RNA) where: Base-Base interactions energy: -1897.295 where: short stacking energy: -746.438 Base-Backbone interact. energy: -1.830 local terms energy: -768.658459 where: bonds (distance) C4'-P energy: -128.767 bonds (distance) P-C4' energy: -146.140 flat angles C4'-P-C4' energy: -161.146 flat angles P-C4'-P energy: -106.194 tors. eta vs tors. theta energy: -226.411 Dist. restrs. and SS energy: 0.000 (S_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: 135 Temperature: 1.000000 Total energy: -2658.428403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.428403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.428403 (E_RNA) where: Base-Base interactions energy: -1889.169 where: short stacking energy: -746.686 Base-Backbone interact. energy: -3.001 local terms energy: -766.258291 where: bonds (distance) C4'-P energy: -119.901 bonds (distance) P-C4' energy: -157.443 flat angles C4'-P-C4' energy: -164.345 flat angles P-C4'-P energy: -106.263 tors. eta vs tors. theta energy: -218.306 Dist. restrs. and SS energy: 0.000 (S_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: 135 Temperature: 1.050000 Total energy: -2591.864624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.864624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.864624 (E_RNA) where: Base-Base interactions energy: -1850.947 where: short stacking energy: -740.641 Base-Backbone interact. energy: -1.037 local terms energy: -739.880411 where: bonds (distance) C4'-P energy: -108.005 bonds (distance) P-C4' energy: -148.322 flat angles C4'-P-C4' energy: -155.691 flat angles P-C4'-P energy: -99.246 tors. eta vs tors. theta energy: -228.618 Dist. restrs. and SS energy: 0.000 (S_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: 135 Temperature: 1.100000 Total energy: -2513.529830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.529830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.529830 (E_RNA) where: Base-Base interactions energy: -1792.921 where: short stacking energy: -728.621 Base-Backbone interact. energy: -1.951 local terms energy: -718.657115 where: bonds (distance) C4'-P energy: -115.105 bonds (distance) P-C4' energy: -142.684 flat angles C4'-P-C4' energy: -148.106 flat angles P-C4'-P energy: -101.833 tors. eta vs tors. theta energy: -210.928 Dist. restrs. and SS energy: 0.000 (S_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: 135 Temperature: 1.150000 Total energy: -2505.504845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.504845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.504845 (E_RNA) where: Base-Base interactions energy: -1784.978 where: short stacking energy: -715.608 Base-Backbone interact. energy: -2.157 local terms energy: -718.369133 where: bonds (distance) C4'-P energy: -108.743 bonds (distance) P-C4' energy: -142.420 flat angles C4'-P-C4' energy: -147.006 flat angles P-C4'-P energy: -98.563 tors. eta vs tors. theta energy: -221.638 Dist. restrs. and SS energy: 0.000 (S_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: 135 Temperature: 1.200000 Total energy: -2421.129790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.129790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.129790 (E_RNA) where: Base-Base interactions energy: -1714.312 where: short stacking energy: -689.600 Base-Backbone interact. energy: -2.285 local terms energy: -704.532871 where: bonds (distance) C4'-P energy: -100.293 bonds (distance) P-C4' energy: -146.252 flat angles C4'-P-C4' energy: -147.104 flat angles P-C4'-P energy: -101.335 tors. eta vs tors. theta energy: -209.550 Dist. restrs. and SS energy: 0.000 (S_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: 135 Temperature: 1.250000 Total energy: -2301.214748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.214748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.214748 (E_RNA) where: Base-Base interactions energy: -1621.354 where: short stacking energy: -665.925 Base-Backbone interact. energy: -0.712 local terms energy: -679.148747 where: bonds (distance) C4'-P energy: -110.996 bonds (distance) P-C4' energy: -125.922 flat angles C4'-P-C4' energy: -153.392 flat angles P-C4'-P energy: -93.757 tors. eta vs tors. theta energy: -195.082 Dist. restrs. and SS energy: 0.000 (S_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: 135 Temperature: 1.300000 Total energy: -2247.179194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.179194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.179194 (E_RNA) where: Base-Base interactions energy: -1585.291 where: short stacking energy: -642.896 Base-Backbone interact. energy: -0.799 local terms energy: -661.089503 where: bonds (distance) C4'-P energy: -108.478 bonds (distance) P-C4' energy: -133.227 flat angles C4'-P-C4' energy: -138.517 flat angles P-C4'-P energy: -88.269 tors. eta vs tors. theta energy: -192.599 Dist. restrs. and SS energy: 0.000 (S_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: 135 Temperature: 1.350000 Total energy: -1934.108098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.108098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.108098 (E_RNA) where: Base-Base interactions energy: -1325.865 where: short stacking energy: -559.013 Base-Backbone interact. energy: 2.369 local terms energy: -610.612044 where: bonds (distance) C4'-P energy: -90.886 bonds (distance) P-C4' energy: -132.992 flat angles C4'-P-C4' energy: -134.383 flat angles P-C4'-P energy: -98.483 tors. eta vs tors. theta energy: -153.868 Dist. restrs. and SS energy: 0.000 (S_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: 136 Temperature: 0.900000 Total energy: -2718.391057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.391057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.391057 (E_RNA) where: Base-Base interactions energy: -1933.654 where: short stacking energy: -769.220 Base-Backbone interact. energy: -0.309 local terms energy: -784.428106 where: bonds (distance) C4'-P energy: -122.155 bonds (distance) P-C4' energy: -155.966 flat angles C4'-P-C4' energy: -154.291 flat angles P-C4'-P energy: -117.889 tors. eta vs tors. theta energy: -234.127 Dist. restrs. and SS energy: 0.000 (S_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: 136 Temperature: 0.950000 Total energy: -2668.439445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.439445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.439445 (E_RNA) where: Base-Base interactions energy: -1911.506 where: short stacking energy: -768.203 Base-Backbone interact. energy: -2.114 local terms energy: -754.819726 where: bonds (distance) C4'-P energy: -119.899 bonds (distance) P-C4' energy: -146.811 flat angles C4'-P-C4' energy: -155.842 flat angles P-C4'-P energy: -110.677 tors. eta vs tors. theta energy: -221.591 Dist. restrs. and SS energy: 0.000 (S_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: 136 Temperature: 1.000000 Total energy: -2637.988014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.988014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.988014 (E_RNA) where: Base-Base interactions energy: -1878.757 where: short stacking energy: -753.145 Base-Backbone interact. energy: -0.923 local terms energy: -758.308024 where: bonds (distance) C4'-P energy: -119.813 bonds (distance) P-C4' energy: -144.460 flat angles C4'-P-C4' energy: -153.722 flat angles P-C4'-P energy: -114.264 tors. eta vs tors. theta energy: -226.049 Dist. restrs. and SS energy: 0.000 (S_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: 136 Temperature: 1.050000 Total energy: -2590.639556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.639556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.639556 (E_RNA) where: Base-Base interactions energy: -1843.680 where: short stacking energy: -730.970 Base-Backbone interact. energy: -1.668 local terms energy: -745.291849 where: bonds (distance) C4'-P energy: -110.090 bonds (distance) P-C4' energy: -146.461 flat angles C4'-P-C4' energy: -158.114 flat angles P-C4'-P energy: -108.743 tors. eta vs tors. theta energy: -221.883 Dist. restrs. and SS energy: 0.000 (S_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: 136 Temperature: 1.100000 Total energy: -2535.471329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.471329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.471329 (E_RNA) where: Base-Base interactions energy: -1803.653 where: short stacking energy: -727.541 Base-Backbone interact. energy: -1.167 local terms energy: -730.651222 where: bonds (distance) C4'-P energy: -110.358 bonds (distance) P-C4' energy: -147.008 flat angles C4'-P-C4' energy: -148.971 flat angles P-C4'-P energy: -103.272 tors. eta vs tors. theta energy: -221.041 Dist. restrs. and SS energy: 0.000 (S_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: 136 Temperature: 1.150000 Total energy: -2483.066352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.066352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.066352 (E_RNA) where: Base-Base interactions energy: -1750.376 where: short stacking energy: -705.922 Base-Backbone interact. energy: 0.647 local terms energy: -733.337260 where: bonds (distance) C4'-P energy: -111.431 bonds (distance) P-C4' energy: -151.059 flat angles C4'-P-C4' energy: -150.195 flat angles P-C4'-P energy: -107.825 tors. eta vs tors. theta energy: -212.827 Dist. restrs. and SS energy: 0.000 (S_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: 136 Temperature: 1.200000 Total energy: -2440.335048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.335048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.335048 (E_RNA) where: Base-Base interactions energy: -1726.025 where: short stacking energy: -682.381 Base-Backbone interact. energy: -1.543 local terms energy: -712.767031 where: bonds (distance) C4'-P energy: -106.570 bonds (distance) P-C4' energy: -148.092 flat angles C4'-P-C4' energy: -147.841 flat angles P-C4'-P energy: -100.841 tors. eta vs tors. theta energy: -209.424 Dist. restrs. and SS energy: 0.000 (S_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: 136 Temperature: 1.250000 Total energy: -2365.171835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.171835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.171835 (E_RNA) where: Base-Base interactions energy: -1690.342 where: short stacking energy: -686.520 Base-Backbone interact. energy: 1.245 local terms energy: -676.075161 where: bonds (distance) C4'-P energy: -101.237 bonds (distance) P-C4' energy: -142.747 flat angles C4'-P-C4' energy: -147.218 flat angles P-C4'-P energy: -94.292 tors. eta vs tors. theta energy: -190.582 Dist. restrs. and SS energy: 0.000 (S_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: 136 Temperature: 1.300000 Total energy: -2261.204300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.204300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.204300 (E_RNA) where: Base-Base interactions energy: -1581.227 where: short stacking energy: -652.590 Base-Backbone interact. energy: -0.400 local terms energy: -679.577032 where: bonds (distance) C4'-P energy: -107.902 bonds (distance) P-C4' energy: -131.638 flat angles C4'-P-C4' energy: -146.419 flat angles P-C4'-P energy: -100.036 tors. eta vs tors. theta energy: -193.581 Dist. restrs. and SS energy: 0.000 (S_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: 136 Temperature: 1.350000 Total energy: -1901.763339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.763339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.763339 (E_RNA) where: Base-Base interactions energy: -1279.021 where: short stacking energy: -542.363 Base-Backbone interact. energy: -1.455 local terms energy: -621.287453 where: bonds (distance) C4'-P energy: -115.281 bonds (distance) P-C4' energy: -133.947 flat angles C4'-P-C4' energy: -128.912 flat angles P-C4'-P energy: -92.878 tors. eta vs tors. theta energy: -150.270 Dist. restrs. and SS energy: 0.000 (S_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: 137 Temperature: 0.900000 Total energy: -2730.435342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.435342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.435342 (E_RNA) where: Base-Base interactions energy: -1953.298 where: short stacking energy: -762.548 Base-Backbone interact. energy: -2.782 local terms energy: -774.355072 where: bonds (distance) C4'-P energy: -119.529 bonds (distance) P-C4' energy: -152.285 flat angles C4'-P-C4' energy: -163.067 flat angles P-C4'-P energy: -115.545 tors. eta vs tors. theta energy: -223.930 Dist. restrs. and SS energy: 0.000 (S_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: 137 Temperature: 0.950000 Total energy: -2686.845663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.845663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.845663 (E_RNA) where: Base-Base interactions energy: -1912.069 where: short stacking energy: -744.593 Base-Backbone interact. energy: -2.153 local terms energy: -772.622901 where: bonds (distance) C4'-P energy: -123.788 bonds (distance) P-C4' energy: -149.895 flat angles C4'-P-C4' energy: -160.483 flat angles P-C4'-P energy: -111.893 tors. eta vs tors. theta energy: -226.564 Dist. restrs. and SS energy: 0.000 (S_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: 137 Temperature: 1.000000 Total energy: -2632.320250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.320250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.320250 (E_RNA) where: Base-Base interactions energy: -1866.222 where: short stacking energy: -740.639 Base-Backbone interact. energy: -2.590 local terms energy: -763.507978 where: bonds (distance) C4'-P energy: -117.145 bonds (distance) P-C4' energy: -156.405 flat angles C4'-P-C4' energy: -157.663 flat angles P-C4'-P energy: -113.302 tors. eta vs tors. theta energy: -218.993 Dist. restrs. and SS energy: 0.000 (S_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: 137 Temperature: 1.050000 Total energy: -2555.000871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.000871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.000871 (E_RNA) where: Base-Base interactions energy: -1810.543 where: short stacking energy: -740.654 Base-Backbone interact. energy: -3.095 local terms energy: -741.363393 where: bonds (distance) C4'-P energy: -116.689 bonds (distance) P-C4' energy: -144.826 flat angles C4'-P-C4' energy: -143.644 flat angles P-C4'-P energy: -111.455 tors. eta vs tors. theta energy: -224.750 Dist. restrs. and SS energy: 0.000 (S_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: 137 Temperature: 1.100000 Total energy: -2592.169952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.169952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.169952 (E_RNA) where: Base-Base interactions energy: -1833.385 where: short stacking energy: -741.783 Base-Backbone interact. energy: -0.870 local terms energy: -757.915220 where: bonds (distance) C4'-P energy: -113.343 bonds (distance) P-C4' energy: -148.463 flat angles C4'-P-C4' energy: -156.318 flat angles P-C4'-P energy: -110.211 tors. eta vs tors. theta energy: -229.581 Dist. restrs. and SS energy: 0.000 (S_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: 137 Temperature: 1.150000 Total energy: -2473.282668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.282668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.282668 (E_RNA) where: Base-Base interactions energy: -1750.215 where: short stacking energy: -710.687 Base-Backbone interact. energy: -1.407 local terms energy: -721.660441 where: bonds (distance) C4'-P energy: -109.003 bonds (distance) P-C4' energy: -137.097 flat angles C4'-P-C4' energy: -154.797 flat angles P-C4'-P energy: -107.709 tors. eta vs tors. theta energy: -213.055 Dist. restrs. and SS energy: 0.000 (S_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: 137 Temperature: 1.200000 Total energy: -2474.724420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.724420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.724420 (E_RNA) where: Base-Base interactions energy: -1732.032 where: short stacking energy: -688.818 Base-Backbone interact. energy: -1.559 local terms energy: -741.133500 where: bonds (distance) C4'-P energy: -115.334 bonds (distance) P-C4' energy: -145.907 flat angles C4'-P-C4' energy: -149.046 flat angles P-C4'-P energy: -116.147 tors. eta vs tors. theta energy: -214.700 Dist. restrs. and SS energy: 0.000 (S_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: 137 Temperature: 1.250000 Total energy: -2352.313441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.313441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.313441 (E_RNA) where: Base-Base interactions energy: -1668.097 where: short stacking energy: -683.076 Base-Backbone interact. energy: -1.976 local terms energy: -682.239637 where: bonds (distance) C4'-P energy: -96.233 bonds (distance) P-C4' energy: -150.497 flat angles C4'-P-C4' energy: -144.319 flat angles P-C4'-P energy: -85.615 tors. eta vs tors. theta energy: -205.576 Dist. restrs. and SS energy: 0.000 (S_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: 137 Temperature: 1.300000 Total energy: -2215.939118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.939118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.939118 (E_RNA) where: Base-Base interactions energy: -1539.320 where: short stacking energy: -643.640 Base-Backbone interact. energy: -1.142 local terms energy: -675.477695 where: bonds (distance) C4'-P energy: -99.682 bonds (distance) P-C4' energy: -143.052 flat angles C4'-P-C4' energy: -143.494 flat angles P-C4'-P energy: -95.395 tors. eta vs tors. theta energy: -193.855 Dist. restrs. and SS energy: 0.000 (S_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: 137 Temperature: 1.350000 Total energy: -1887.457645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.457645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.457645 (E_RNA) where: Base-Base interactions energy: -1289.335 where: short stacking energy: -556.223 Base-Backbone interact. energy: 1.274 local terms energy: -599.396054 where: bonds (distance) C4'-P energy: -90.199 bonds (distance) P-C4' energy: -134.398 flat angles C4'-P-C4' energy: -136.253 flat angles P-C4'-P energy: -79.263 tors. eta vs tors. theta energy: -159.282 Dist. restrs. and SS energy: 0.000 (S_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: 138 Temperature: 0.900000 Total energy: -2717.496539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.496539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.496539 (E_RNA) where: Base-Base interactions energy: -1941.595 where: short stacking energy: -775.800 Base-Backbone interact. energy: -4.652 local terms energy: -771.248945 where: bonds (distance) C4'-P energy: -121.055 bonds (distance) P-C4' energy: -150.568 flat angles C4'-P-C4' energy: -155.610 flat angles P-C4'-P energy: -110.879 tors. eta vs tors. theta energy: -233.137 Dist. restrs. and SS energy: 0.000 (S_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: 138 Temperature: 0.950000 Total energy: -2655.927835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.927835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.927835 (E_RNA) where: Base-Base interactions energy: -1897.401 where: short stacking energy: -738.566 Base-Backbone interact. energy: -2.021 local terms energy: -756.505673 where: bonds (distance) C4'-P energy: -127.299 bonds (distance) P-C4' energy: -155.133 flat angles C4'-P-C4' energy: -160.237 flat angles P-C4'-P energy: -96.046 tors. eta vs tors. theta energy: -217.791 Dist. restrs. and SS energy: 0.000 (S_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: 138 Temperature: 1.000000 Total energy: -2634.096250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.096250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.096250 (E_RNA) where: Base-Base interactions energy: -1866.879 where: short stacking energy: -747.942 Base-Backbone interact. energy: 1.212 local terms energy: -768.428963 where: bonds (distance) C4'-P energy: -118.240 bonds (distance) P-C4' energy: -150.503 flat angles C4'-P-C4' energy: -159.058 flat angles P-C4'-P energy: -111.747 tors. eta vs tors. theta energy: -228.882 Dist. restrs. and SS energy: 0.000 (S_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: 138 Temperature: 1.050000 Total energy: -2584.779811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.779811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.779811 (E_RNA) where: Base-Base interactions energy: -1817.931 where: short stacking energy: -733.915 Base-Backbone interact. energy: -0.160 local terms energy: -766.688342 where: bonds (distance) C4'-P energy: -123.564 bonds (distance) P-C4' energy: -149.889 flat angles C4'-P-C4' energy: -159.069 flat angles P-C4'-P energy: -106.270 tors. eta vs tors. theta energy: -227.897 Dist. restrs. and SS energy: 0.000 (S_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: 138 Temperature: 1.100000 Total energy: -2591.397099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.397099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.397099 (E_RNA) where: Base-Base interactions energy: -1845.528 where: short stacking energy: -735.968 Base-Backbone interact. energy: -2.849 local terms energy: -743.019419 where: bonds (distance) C4'-P energy: -114.397 bonds (distance) P-C4' energy: -139.340 flat angles C4'-P-C4' energy: -158.875 flat angles P-C4'-P energy: -111.355 tors. eta vs tors. theta energy: -219.053 Dist. restrs. and SS energy: 0.000 (S_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: 138 Temperature: 1.150000 Total energy: -2503.215023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.215023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.215023 (E_RNA) where: Base-Base interactions energy: -1772.172 where: short stacking energy: -729.597 Base-Backbone interact. energy: -1.566 local terms energy: -729.476707 where: bonds (distance) C4'-P energy: -107.604 bonds (distance) P-C4' energy: -141.507 flat angles C4'-P-C4' energy: -145.888 flat angles P-C4'-P energy: -117.398 tors. eta vs tors. theta energy: -217.079 Dist. restrs. and SS energy: 0.000 (S_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: 138 Temperature: 1.200000 Total energy: -2459.919553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.919553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.919553 (E_RNA) where: Base-Base interactions energy: -1732.447 where: short stacking energy: -693.343 Base-Backbone interact. energy: -2.343 local terms energy: -725.129386 where: bonds (distance) C4'-P energy: -117.130 bonds (distance) P-C4' energy: -131.287 flat angles C4'-P-C4' energy: -149.247 flat angles P-C4'-P energy: -108.783 tors. eta vs tors. theta energy: -218.682 Dist. restrs. and SS energy: 0.000 (S_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: 138 Temperature: 1.250000 Total energy: -2361.351235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.351235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.351235 (E_RNA) where: Base-Base interactions energy: -1670.746 where: short stacking energy: -675.970 Base-Backbone interact. energy: -3.014 local terms energy: -687.591182 where: bonds (distance) C4'-P energy: -96.798 bonds (distance) P-C4' energy: -142.084 flat angles C4'-P-C4' energy: -146.530 flat angles P-C4'-P energy: -106.373 tors. eta vs tors. theta energy: -195.807 Dist. restrs. and SS energy: 0.000 (S_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: 138 Temperature: 1.300000 Total energy: -2237.182161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.182161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.182161 (E_RNA) where: Base-Base interactions energy: -1573.434 where: short stacking energy: -646.855 Base-Backbone interact. energy: -1.279 local terms energy: -662.468997 where: bonds (distance) C4'-P energy: -94.560 bonds (distance) P-C4' energy: -145.813 flat angles C4'-P-C4' energy: -139.724 flat angles P-C4'-P energy: -95.847 tors. eta vs tors. theta energy: -186.525 Dist. restrs. and SS energy: 0.000 (S_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: 138 Temperature: 1.350000 Total energy: -1902.858679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.858679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.858679 (E_RNA) where: Base-Base interactions energy: -1276.584 where: short stacking energy: -561.188 Base-Backbone interact. energy: 1.396 local terms energy: -627.671480 where: bonds (distance) C4'-P energy: -106.139 bonds (distance) P-C4' energy: -145.629 flat angles C4'-P-C4' energy: -131.829 flat angles P-C4'-P energy: -86.928 tors. eta vs tors. theta energy: -157.146 Dist. restrs. and SS energy: 0.000 (S_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: 139 Temperature: 0.900000 Total energy: -2733.202578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.202578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.202578 (E_RNA) where: Base-Base interactions energy: -1962.819 where: short stacking energy: -776.626 Base-Backbone interact. energy: -2.829 local terms energy: -767.554804 where: bonds (distance) C4'-P energy: -118.645 bonds (distance) P-C4' energy: -144.213 flat angles C4'-P-C4' energy: -164.700 flat angles P-C4'-P energy: -109.521 tors. eta vs tors. theta energy: -230.475 Dist. restrs. and SS energy: 0.000 (S_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: 139 Temperature: 0.950000 Total energy: -2675.643461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.643461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.643461 (E_RNA) where: Base-Base interactions energy: -1898.263 where: short stacking energy: -759.228 Base-Backbone interact. energy: -2.667 local terms energy: -774.713171 where: bonds (distance) C4'-P energy: -125.763 bonds (distance) P-C4' energy: -151.380 flat angles C4'-P-C4' energy: -162.605 flat angles P-C4'-P energy: -113.225 tors. eta vs tors. theta energy: -221.740 Dist. restrs. and SS energy: 0.000 (S_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: 139 Temperature: 1.000000 Total energy: -2645.770163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.770163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.770163 (E_RNA) where: Base-Base interactions energy: -1886.035 where: short stacking energy: -756.873 Base-Backbone interact. energy: -0.976 local terms energy: -758.759162 where: bonds (distance) C4'-P energy: -116.534 bonds (distance) P-C4' energy: -157.183 flat angles C4'-P-C4' energy: -157.340 flat angles P-C4'-P energy: -102.923 tors. eta vs tors. theta energy: -224.778 Dist. restrs. and SS energy: 0.000 (S_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: 139 Temperature: 1.050000 Total energy: -2601.103488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.103488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.103488 (E_RNA) where: Base-Base interactions energy: -1854.393 where: short stacking energy: -731.926 Base-Backbone interact. energy: -2.126 local terms energy: -744.584374 where: bonds (distance) C4'-P energy: -124.241 bonds (distance) P-C4' energy: -143.503 flat angles C4'-P-C4' energy: -152.620 flat angles P-C4'-P energy: -108.754 tors. eta vs tors. theta energy: -215.467 Dist. restrs. and SS energy: 0.000 (S_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: 139 Temperature: 1.100000 Total energy: -2548.273504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.273504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.273504 (E_RNA) where: Base-Base interactions energy: -1806.013 where: short stacking energy: -733.470 Base-Backbone interact. energy: -0.058 local terms energy: -742.202696 where: bonds (distance) C4'-P energy: -112.076 bonds (distance) P-C4' energy: -144.114 flat angles C4'-P-C4' energy: -155.788 flat angles P-C4'-P energy: -102.098 tors. eta vs tors. theta energy: -228.126 Dist. restrs. and SS energy: 0.000 (S_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: -2481.905258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.905258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.905258 (E_RNA) where: Base-Base interactions energy: -1751.813 where: short stacking energy: -686.641 Base-Backbone interact. energy: -1.811 local terms energy: -728.282190 where: bonds (distance) C4'-P energy: -99.216 bonds (distance) P-C4' energy: -151.868 flat angles C4'-P-C4' energy: -161.029 flat angles P-C4'-P energy: -107.941 tors. eta vs tors. theta energy: -208.227 Dist. restrs. and SS energy: 0.000 (S_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: 139 Temperature: 1.200000 Total energy: -2413.250225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.250225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.250225 (E_RNA) where: Base-Base interactions energy: -1716.188 where: short stacking energy: -683.500 Base-Backbone interact. energy: -2.250 local terms energy: -694.811851 where: bonds (distance) C4'-P energy: -114.432 bonds (distance) P-C4' energy: -134.747 flat angles C4'-P-C4' energy: -139.882 flat angles P-C4'-P energy: -96.768 tors. eta vs tors. theta energy: -208.983 Dist. restrs. and SS energy: 0.000 (S_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: 139 Temperature: 1.250000 Total energy: -2263.965723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.965723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.965723 (E_RNA) where: Base-Base interactions energy: -1577.869 where: short stacking energy: -662.642 Base-Backbone interact. energy: 2.384 local terms energy: -688.481291 where: bonds (distance) C4'-P energy: -100.935 bonds (distance) P-C4' energy: -143.995 flat angles C4'-P-C4' energy: -140.951 flat angles P-C4'-P energy: -109.962 tors. eta vs tors. theta energy: -192.639 Dist. restrs. and SS energy: 0.000 (S_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: 139 Temperature: 1.300000 Total energy: -2284.474977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.474977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.474977 (E_RNA) where: Base-Base interactions energy: -1640.765 where: short stacking energy: -636.336 Base-Backbone interact. energy: -2.307 local terms energy: -641.403788 where: bonds (distance) C4'-P energy: -113.282 bonds (distance) P-C4' energy: -113.301 flat angles C4'-P-C4' energy: -150.814 flat angles P-C4'-P energy: -73.463 tors. eta vs tors. theta energy: -190.544 Dist. restrs. and SS energy: 0.000 (S_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: 139 Temperature: 1.350000 Total energy: -1895.150258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.150258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.150258 (E_RNA) where: Base-Base interactions energy: -1272.158 where: short stacking energy: -539.277 Base-Backbone interact. energy: -1.663 local terms energy: -621.328961 where: bonds (distance) C4'-P energy: -102.401 bonds (distance) P-C4' energy: -139.726 flat angles C4'-P-C4' energy: -140.503 flat angles P-C4'-P energy: -89.838 tors. eta vs tors. theta energy: -148.861 Dist. restrs. and SS energy: 0.000 (S_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: 140 Temperature: 0.900000 Total energy: -2705.888345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.888345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.888345 (E_RNA) where: Base-Base interactions energy: -1926.703 where: short stacking energy: -759.909 Base-Backbone interact. energy: -2.332 local terms energy: -776.853607 where: bonds (distance) C4'-P energy: -128.023 bonds (distance) P-C4' energy: -158.041 flat angles C4'-P-C4' energy: -159.859 flat angles P-C4'-P energy: -108.696 tors. eta vs tors. theta energy: -222.235 Dist. restrs. and SS energy: 0.000 (S_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: 140 Temperature: 0.950000 Total energy: -2680.539095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.539095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.539095 (E_RNA) where: Base-Base interactions energy: -1922.860 where: short stacking energy: -761.634 Base-Backbone interact. energy: 0.387 local terms energy: -758.066380 where: bonds (distance) C4'-P energy: -118.120 bonds (distance) P-C4' energy: -150.194 flat angles C4'-P-C4' energy: -163.946 flat angles P-C4'-P energy: -98.772 tors. eta vs tors. theta energy: -227.035 Dist. restrs. and SS energy: 0.000 (S_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: 140 Temperature: 1.000000 Total energy: -2654.494551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.494551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.494551 (E_RNA) where: Base-Base interactions energy: -1886.997 where: short stacking energy: -746.500 Base-Backbone interact. energy: -2.810 local terms energy: -764.687737 where: bonds (distance) C4'-P energy: -128.585 bonds (distance) P-C4' energy: -142.177 flat angles C4'-P-C4' energy: -160.572 flat angles P-C4'-P energy: -107.581 tors. eta vs tors. theta energy: -225.772 Dist. restrs. and SS energy: 0.000 (S_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: 140 Temperature: 1.050000 Total energy: -2601.806757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.806757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.806757 (E_RNA) where: Base-Base interactions energy: -1858.914 where: short stacking energy: -739.421 Base-Backbone interact. energy: -2.260 local terms energy: -740.632249 where: bonds (distance) C4'-P energy: -119.649 bonds (distance) P-C4' energy: -137.555 flat angles C4'-P-C4' energy: -155.901 flat angles P-C4'-P energy: -103.012 tors. eta vs tors. theta energy: -224.515 Dist. restrs. and SS energy: 0.000 (S_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: -2481.374028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.374028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.374028 (E_RNA) where: Base-Base interactions energy: -1752.662 where: short stacking energy: -697.946 Base-Backbone interact. energy: -0.969 local terms energy: -727.742976 where: bonds (distance) C4'-P energy: -124.570 bonds (distance) P-C4' energy: -144.622 flat angles C4'-P-C4' energy: -147.416 flat angles P-C4'-P energy: -105.655 tors. eta vs tors. theta energy: -205.480 Dist. restrs. and SS energy: 0.000 (S_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: 140 Temperature: 1.150000 Total energy: -2502.437628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.437628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.437628 (E_RNA) where: Base-Base interactions energy: -1770.324 where: short stacking energy: -730.121 Base-Backbone interact. energy: -1.973 local terms energy: -730.139905 where: bonds (distance) C4'-P energy: -113.530 bonds (distance) P-C4' energy: -139.425 flat angles C4'-P-C4' energy: -153.618 flat angles P-C4'-P energy: -102.346 tors. eta vs tors. theta energy: -221.221 Dist. restrs. and SS energy: 0.000 (S_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: 140 Temperature: 1.200000 Total energy: -2475.135832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.135832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.135832 (E_RNA) where: Base-Base interactions energy: -1755.909 where: short stacking energy: -712.489 Base-Backbone interact. energy: -1.975 local terms energy: -717.252340 where: bonds (distance) C4'-P energy: -114.140 bonds (distance) P-C4' energy: -139.502 flat angles C4'-P-C4' energy: -136.954 flat angles P-C4'-P energy: -112.113 tors. eta vs tors. theta energy: -214.544 Dist. restrs. and SS energy: 0.000 (S_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: 140 Temperature: 1.250000 Total energy: -2275.998000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.998000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.998000 (E_RNA) where: Base-Base interactions energy: -1589.463 where: short stacking energy: -646.811 Base-Backbone interact. energy: -1.385 local terms energy: -685.149986 where: bonds (distance) C4'-P energy: -120.610 bonds (distance) P-C4' energy: -144.325 flat angles C4'-P-C4' energy: -144.911 flat angles P-C4'-P energy: -84.138 tors. eta vs tors. theta energy: -191.167 Dist. restrs. and SS energy: 0.000 (S_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: 140 Temperature: 1.300000 Total energy: -2346.286519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.286519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.286519 (E_RNA) where: Base-Base interactions energy: -1647.371 where: short stacking energy: -676.407 Base-Backbone interact. energy: -1.718 local terms energy: -697.197648 where: bonds (distance) C4'-P energy: -89.349 bonds (distance) P-C4' energy: -149.591 flat angles C4'-P-C4' energy: -148.347 flat angles P-C4'-P energy: -103.538 tors. eta vs tors. theta energy: -206.373 Dist. restrs. and SS energy: 0.000 (S_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: -1884.519098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.519098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.519098 (E_RNA) where: Base-Base interactions energy: -1265.688 where: short stacking energy: -532.521 Base-Backbone interact. energy: -3.036 local terms energy: -615.794835 where: bonds (distance) C4'-P energy: -107.394 bonds (distance) P-C4' energy: -136.179 flat angles C4'-P-C4' energy: -129.592 flat angles P-C4'-P energy: -96.036 tors. eta vs tors. theta energy: -146.594 Dist. restrs. and SS energy: 0.000 (S_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: 141 Temperature: 0.900000 Total energy: -2708.113691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.113691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.113691 (E_RNA) where: Base-Base interactions energy: -1944.895 where: short stacking energy: -776.687 Base-Backbone interact. energy: 0.855 local terms energy: -764.073880 where: bonds (distance) C4'-P energy: -123.569 bonds (distance) P-C4' energy: -149.505 flat angles C4'-P-C4' energy: -154.422 flat angles P-C4'-P energy: -115.555 tors. eta vs tors. theta energy: -221.023 Dist. restrs. and SS energy: 0.000 (S_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: 141 Temperature: 0.950000 Total energy: -2697.498888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.498888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.498888 (E_RNA) where: Base-Base interactions energy: -1939.390 where: short stacking energy: -756.196 Base-Backbone interact. energy: 2.013 local terms energy: -760.122169 where: bonds (distance) C4'-P energy: -114.330 bonds (distance) P-C4' energy: -161.343 flat angles C4'-P-C4' energy: -156.376 flat angles P-C4'-P energy: -107.405 tors. eta vs tors. theta energy: -220.667 Dist. restrs. and SS energy: 0.000 (S_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: 141 Temperature: 1.000000 Total energy: -2639.527921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.527921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.527921 (E_RNA) where: Base-Base interactions energy: -1871.258 where: short stacking energy: -744.999 Base-Backbone interact. energy: -2.368 local terms energy: -765.902648 where: bonds (distance) C4'-P energy: -128.007 bonds (distance) P-C4' energy: -151.034 flat angles C4'-P-C4' energy: -157.525 flat angles P-C4'-P energy: -107.458 tors. eta vs tors. theta energy: -221.878 Dist. restrs. and SS energy: 0.000 (S_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: 141 Temperature: 1.050000 Total energy: -2604.731741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.731741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.731741 (E_RNA) where: Base-Base interactions energy: -1866.777 where: short stacking energy: -739.847 Base-Backbone interact. energy: -3.354 local terms energy: -734.600977 where: bonds (distance) C4'-P energy: -97.895 bonds (distance) P-C4' energy: -147.714 flat angles C4'-P-C4' energy: -155.546 flat angles P-C4'-P energy: -112.162 tors. eta vs tors. theta energy: -221.283 Dist. restrs. and SS energy: 0.000 (S_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: 141 Temperature: 1.100000 Total energy: -2531.606651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.606651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.606651 (E_RNA) where: Base-Base interactions energy: -1787.681 where: short stacking energy: -732.585 Base-Backbone interact. energy: -0.828 local terms energy: -743.097134 where: bonds (distance) C4'-P energy: -120.522 bonds (distance) P-C4' energy: -143.668 flat angles C4'-P-C4' energy: -151.894 flat angles P-C4'-P energy: -105.370 tors. eta vs tors. theta energy: -221.644 Dist. restrs. and SS energy: 0.000 (S_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: 141 Temperature: 1.150000 Total energy: -2532.014434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.014434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.014434 (E_RNA) where: Base-Base interactions energy: -1828.107 where: short stacking energy: -734.380 Base-Backbone interact. energy: -1.624 local terms energy: -702.283372 where: bonds (distance) C4'-P energy: -107.110 bonds (distance) P-C4' energy: -116.729 flat angles C4'-P-C4' energy: -154.971 flat angles P-C4'-P energy: -103.351 tors. eta vs tors. theta energy: -220.122 Dist. restrs. and SS energy: 0.000 (S_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: 141 Temperature: 1.200000 Total energy: -2460.581373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.581373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.581373 (E_RNA) where: Base-Base interactions energy: -1737.490 where: short stacking energy: -705.507 Base-Backbone interact. energy: -1.191 local terms energy: -721.900315 where: bonds (distance) C4'-P energy: -122.924 bonds (distance) P-C4' energy: -152.347 flat angles C4'-P-C4' energy: -144.786 flat angles P-C4'-P energy: -93.312 tors. eta vs tors. theta energy: -208.532 Dist. restrs. and SS energy: 0.000 (S_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: 141 Temperature: 1.250000 Total energy: -2338.972934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.972934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.972934 (E_RNA) where: Base-Base interactions energy: -1638.544 where: short stacking energy: -658.875 Base-Backbone interact. energy: -1.846 local terms energy: -698.583431 where: bonds (distance) C4'-P energy: -107.990 bonds (distance) P-C4' energy: -146.590 flat angles C4'-P-C4' energy: -141.161 flat angles P-C4'-P energy: -103.662 tors. eta vs tors. theta energy: -199.180 Dist. restrs. and SS energy: 0.000 (S_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: 141 Temperature: 1.300000 Total energy: -2236.883940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.883940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.883940 (E_RNA) where: Base-Base interactions energy: -1546.028 where: short stacking energy: -648.870 Base-Backbone interact. energy: -1.321 local terms energy: -689.535365 where: bonds (distance) C4'-P energy: -104.242 bonds (distance) P-C4' energy: -142.534 flat angles C4'-P-C4' energy: -139.946 flat angles P-C4'-P energy: -104.114 tors. eta vs tors. theta energy: -198.700 Dist. restrs. and SS energy: 0.000 (S_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: -1854.889218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.889218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.889218 (E_RNA) where: Base-Base interactions energy: -1233.586 where: short stacking energy: -522.243 Base-Backbone interact. energy: -2.313 local terms energy: -618.990700 where: bonds (distance) C4'-P energy: -110.948 bonds (distance) P-C4' energy: -139.291 flat angles C4'-P-C4' energy: -137.205 flat angles P-C4'-P energy: -92.702 tors. eta vs tors. theta energy: -138.844 Dist. restrs. and SS energy: 0.000 (S_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: -2713.780502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.780502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.780502 (E_RNA) where: Base-Base interactions energy: -1922.417 where: short stacking energy: -766.945 Base-Backbone interact. energy: -1.032 local terms energy: -790.332216 where: bonds (distance) C4'-P energy: -130.629 bonds (distance) P-C4' energy: -155.702 flat angles C4'-P-C4' energy: -163.770 flat angles P-C4'-P energy: -118.119 tors. eta vs tors. theta energy: -222.112 Dist. restrs. and SS energy: 0.000 (S_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: 142 Temperature: 0.950000 Total energy: -2688.955433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.955433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.955433 (E_RNA) where: Base-Base interactions energy: -1926.805 where: short stacking energy: -760.577 Base-Backbone interact. energy: -5.768 local terms energy: -756.382204 where: bonds (distance) C4'-P energy: -122.652 bonds (distance) P-C4' energy: -139.201 flat angles C4'-P-C4' energy: -151.302 flat angles P-C4'-P energy: -112.656 tors. eta vs tors. theta energy: -230.571 Dist. restrs. and SS energy: 0.000 (S_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: 142 Temperature: 1.000000 Total energy: -2631.600403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.600403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.600403 (E_RNA) where: Base-Base interactions energy: -1871.494 where: short stacking energy: -755.835 Base-Backbone interact. energy: -1.111 local terms energy: -758.995830 where: bonds (distance) C4'-P energy: -128.888 bonds (distance) P-C4' energy: -135.595 flat angles C4'-P-C4' energy: -155.913 flat angles P-C4'-P energy: -112.812 tors. eta vs tors. theta energy: -225.788 Dist. restrs. and SS energy: 0.000 (S_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: 142 Temperature: 1.050000 Total energy: -2624.492216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.492216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.492216 (E_RNA) where: Base-Base interactions energy: -1883.486 where: short stacking energy: -746.116 Base-Backbone interact. energy: -4.369 local terms energy: -736.637797 where: bonds (distance) C4'-P energy: -115.714 bonds (distance) P-C4' energy: -136.478 flat angles C4'-P-C4' energy: -153.845 flat angles P-C4'-P energy: -107.959 tors. eta vs tors. theta energy: -222.641 Dist. restrs. and SS energy: 0.000 (S_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: 142 Temperature: 1.100000 Total energy: -2523.207477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.207477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.207477 (E_RNA) where: Base-Base interactions energy: -1785.386 where: short stacking energy: -730.462 Base-Backbone interact. energy: -0.338 local terms energy: -737.483937 where: bonds (distance) C4'-P energy: -115.083 bonds (distance) P-C4' energy: -155.548 flat angles C4'-P-C4' energy: -139.485 flat angles P-C4'-P energy: -104.620 tors. eta vs tors. theta energy: -222.747 Dist. restrs. and SS energy: 0.000 (S_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: 142 Temperature: 1.150000 Total energy: -2471.108053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.108053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.108053 (E_RNA) where: Base-Base interactions energy: -1755.529 where: short stacking energy: -690.151 Base-Backbone interact. energy: -2.880 local terms energy: -712.698891 where: bonds (distance) C4'-P energy: -110.660 bonds (distance) P-C4' energy: -140.418 flat angles C4'-P-C4' energy: -152.895 flat angles P-C4'-P energy: -100.786 tors. eta vs tors. theta energy: -207.939 Dist. restrs. and SS energy: 0.000 (S_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: 142 Temperature: 1.200000 Total energy: -2462.991097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.991097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.991097 (E_RNA) where: Base-Base interactions energy: -1729.019 where: short stacking energy: -701.431 Base-Backbone interact. energy: -2.243 local terms energy: -731.729235 where: bonds (distance) C4'-P energy: -122.193 bonds (distance) P-C4' energy: -146.918 flat angles C4'-P-C4' energy: -151.119 flat angles P-C4'-P energy: -95.831 tors. eta vs tors. theta energy: -215.668 Dist. restrs. and SS energy: 0.000 (S_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: -2362.062254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.062254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.062254 (E_RNA) where: Base-Base interactions energy: -1657.630 where: short stacking energy: -675.516 Base-Backbone interact. energy: -1.065 local terms energy: -703.367657 where: bonds (distance) C4'-P energy: -117.358 bonds (distance) P-C4' energy: -140.272 flat angles C4'-P-C4' energy: -147.843 flat angles P-C4'-P energy: -94.979 tors. eta vs tors. theta energy: -202.916 Dist. restrs. and SS energy: 0.000 (S_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: 142 Temperature: 1.300000 Total energy: -2255.959208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.959208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.959208 (E_RNA) where: Base-Base interactions energy: -1578.512 where: short stacking energy: -646.973 Base-Backbone interact. energy: 2.014 local terms energy: -679.460775 where: bonds (distance) C4'-P energy: -102.566 bonds (distance) P-C4' energy: -140.477 flat angles C4'-P-C4' energy: -151.579 flat angles P-C4'-P energy: -90.845 tors. eta vs tors. theta energy: -193.994 Dist. restrs. and SS energy: 0.000 (S_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: 142 Temperature: 1.350000 Total energy: -1892.485439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.485439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.485439 (E_RNA) where: Base-Base interactions energy: -1275.053 where: short stacking energy: -549.886 Base-Backbone interact. energy: 2.006 local terms energy: -619.438572 where: bonds (distance) C4'-P energy: -101.566 bonds (distance) P-C4' energy: -141.672 flat angles C4'-P-C4' energy: -135.493 flat angles P-C4'-P energy: -94.274 tors. eta vs tors. theta energy: -146.434 Dist. restrs. and SS energy: 0.000 (S_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: -2698.577446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.577446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.577446 (E_RNA) where: Base-Base interactions energy: -1913.224 where: short stacking energy: -772.472 Base-Backbone interact. energy: -0.763 local terms energy: -784.590306 where: bonds (distance) C4'-P energy: -121.440 bonds (distance) P-C4' energy: -164.808 flat angles C4'-P-C4' energy: -162.178 flat angles P-C4'-P energy: -113.644 tors. eta vs tors. theta energy: -222.520 Dist. restrs. and SS energy: 0.000 (S_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: 143 Temperature: 0.950000 Total energy: -2695.897395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.897395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.897395 (E_RNA) where: Base-Base interactions energy: -1916.636 where: short stacking energy: -753.364 Base-Backbone interact. energy: -3.059 local terms energy: -776.202270 where: bonds (distance) C4'-P energy: -117.402 bonds (distance) P-C4' energy: -154.285 flat angles C4'-P-C4' energy: -166.699 flat angles P-C4'-P energy: -113.847 tors. eta vs tors. theta energy: -223.969 Dist. restrs. and SS energy: 0.000 (S_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: 143 Temperature: 1.000000 Total energy: -2634.607038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.607038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.607038 (E_RNA) where: Base-Base interactions energy: -1883.022 where: short stacking energy: -741.279 Base-Backbone interact. energy: -2.089 local terms energy: -749.496653 where: bonds (distance) C4'-P energy: -121.279 bonds (distance) P-C4' energy: -142.353 flat angles C4'-P-C4' energy: -160.223 flat angles P-C4'-P energy: -109.717 tors. eta vs tors. theta energy: -215.925 Dist. restrs. and SS energy: 0.000 (S_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: 143 Temperature: 1.050000 Total energy: -2552.133361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.133361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.133361 (E_RNA) where: Base-Base interactions energy: -1817.734 where: short stacking energy: -732.811 Base-Backbone interact. energy: -2.147 local terms energy: -732.251674 where: bonds (distance) C4'-P energy: -117.801 bonds (distance) P-C4' energy: -143.445 flat angles C4'-P-C4' energy: -154.381 flat angles P-C4'-P energy: -102.204 tors. eta vs tors. theta energy: -214.420 Dist. restrs. and SS energy: 0.000 (S_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: 143 Temperature: 1.100000 Total energy: -2589.906968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.906968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.906968 (E_RNA) where: Base-Base interactions energy: -1833.561 where: short stacking energy: -738.526 Base-Backbone interact. energy: -1.395 local terms energy: -754.950851 where: bonds (distance) C4'-P energy: -122.166 bonds (distance) P-C4' energy: -154.692 flat angles C4'-P-C4' energy: -161.191 flat angles P-C4'-P energy: -99.400 tors. eta vs tors. theta energy: -217.501 Dist. restrs. and SS energy: 0.000 (S_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: 143 Temperature: 1.150000 Total energy: -2469.789130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.789130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.789130 (E_RNA) where: Base-Base interactions energy: -1749.918 where: short stacking energy: -696.120 Base-Backbone interact. energy: -1.615 local terms energy: -718.256751 where: bonds (distance) C4'-P energy: -115.559 bonds (distance) P-C4' energy: -147.091 flat angles C4'-P-C4' energy: -149.710 flat angles P-C4'-P energy: -96.486 tors. eta vs tors. theta energy: -209.411 Dist. restrs. and SS energy: 0.000 (S_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: 143 Temperature: 1.200000 Total energy: -2443.616695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.616695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.616695 (E_RNA) where: Base-Base interactions energy: -1732.536 where: short stacking energy: -685.236 Base-Backbone interact. energy: -1.350 local terms energy: -709.731591 where: bonds (distance) C4'-P energy: -120.312 bonds (distance) P-C4' energy: -144.042 flat angles C4'-P-C4' energy: -141.363 flat angles P-C4'-P energy: -95.235 tors. eta vs tors. theta energy: -208.779 Dist. restrs. and SS energy: 0.000 (S_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: 143 Temperature: 1.250000 Total energy: -2379.602338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.602338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.602338 (E_RNA) where: Base-Base interactions energy: -1680.970 where: short stacking energy: -675.173 Base-Backbone interact. energy: -1.226 local terms energy: -697.406606 where: bonds (distance) C4'-P energy: -110.167 bonds (distance) P-C4' energy: -141.263 flat angles C4'-P-C4' energy: -144.671 flat angles P-C4'-P energy: -94.367 tors. eta vs tors. theta energy: -206.939 Dist. restrs. and SS energy: 0.000 (S_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: 143 Temperature: 1.300000 Total energy: -2234.864784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.864784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.864784 (E_RNA) where: Base-Base interactions energy: -1563.472 where: short stacking energy: -652.755 Base-Backbone interact. energy: -2.154 local terms energy: -669.238343 where: bonds (distance) C4'-P energy: -116.761 bonds (distance) P-C4' energy: -136.546 flat angles C4'-P-C4' energy: -143.095 flat angles P-C4'-P energy: -88.719 tors. eta vs tors. theta energy: -184.117 Dist. restrs. and SS energy: 0.000 (S_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: 143 Temperature: 1.350000 Total energy: -1953.130176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.130176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.130176 (E_RNA) where: Base-Base interactions energy: -1314.599 where: short stacking energy: -557.781 Base-Backbone interact. energy: 0.185 local terms energy: -638.716602 where: bonds (distance) C4'-P energy: -112.953 bonds (distance) P-C4' energy: -137.911 flat angles C4'-P-C4' energy: -136.082 flat angles P-C4'-P energy: -86.347 tors. eta vs tors. theta energy: -165.423 Dist. restrs. and SS energy: 0.000 (S_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: 144 Temperature: 0.900000 Total energy: -2705.317400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.317400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.317400 (E_RNA) where: Base-Base interactions energy: -1923.066 where: short stacking energy: -758.717 Base-Backbone interact. energy: -1.994 local terms energy: -780.257198 where: bonds (distance) C4'-P energy: -121.436 bonds (distance) P-C4' energy: -144.513 flat angles C4'-P-C4' energy: -169.061 flat angles P-C4'-P energy: -121.887 tors. eta vs tors. theta energy: -223.360 Dist. restrs. and SS energy: 0.000 (S_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: 144 Temperature: 0.950000 Total energy: -2692.753564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.753564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.753564 (E_RNA) where: Base-Base interactions energy: -1912.098 where: short stacking energy: -748.307 Base-Backbone interact. energy: 0.823 local terms energy: -781.478676 where: bonds (distance) C4'-P energy: -119.407 bonds (distance) P-C4' energy: -152.073 flat angles C4'-P-C4' energy: -167.297 flat angles P-C4'-P energy: -118.112 tors. eta vs tors. theta energy: -224.590 Dist. restrs. and SS energy: 0.000 (S_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: 144 Temperature: 1.000000 Total energy: -2631.318667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.318667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.318667 (E_RNA) where: Base-Base interactions energy: -1889.889 where: short stacking energy: -735.396 Base-Backbone interact. energy: -1.713 local terms energy: -739.716738 where: bonds (distance) C4'-P energy: -111.321 bonds (distance) P-C4' energy: -143.707 flat angles C4'-P-C4' energy: -156.932 flat angles P-C4'-P energy: -109.581 tors. eta vs tors. theta energy: -218.176 Dist. restrs. and SS energy: 0.000 (S_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: 144 Temperature: 1.050000 Total energy: -2545.699925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.699925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.699925 (E_RNA) where: Base-Base interactions energy: -1827.229 where: short stacking energy: -741.848 Base-Backbone interact. energy: -1.964 local terms energy: -716.507182 where: bonds (distance) C4'-P energy: -116.925 bonds (distance) P-C4' energy: -131.724 flat angles C4'-P-C4' energy: -159.498 flat angles P-C4'-P energy: -88.657 tors. eta vs tors. theta energy: -219.702 Dist. restrs. and SS energy: 0.000 (S_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: 144 Temperature: 1.100000 Total energy: -2586.423123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.423123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.423123 (E_RNA) where: Base-Base interactions energy: -1837.318 where: short stacking energy: -738.883 Base-Backbone interact. energy: -1.573 local terms energy: -747.532232 where: bonds (distance) C4'-P energy: -124.393 bonds (distance) P-C4' energy: -147.263 flat angles C4'-P-C4' energy: -154.106 flat angles P-C4'-P energy: -102.944 tors. eta vs tors. theta energy: -218.826 Dist. restrs. and SS energy: 0.000 (S_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: 144 Temperature: 1.150000 Total energy: -2483.538254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.538254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.538254 (E_RNA) where: Base-Base interactions energy: -1756.576 where: short stacking energy: -708.194 Base-Backbone interact. energy: -2.981 local terms energy: -723.981889 where: bonds (distance) C4'-P energy: -122.774 bonds (distance) P-C4' energy: -137.210 flat angles C4'-P-C4' energy: -155.280 flat angles P-C4'-P energy: -103.496 tors. eta vs tors. theta energy: -205.222 Dist. restrs. and SS energy: 0.000 (S_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: 144 Temperature: 1.200000 Total energy: -2443.270236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.270236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.270236 (E_RNA) where: Base-Base interactions energy: -1707.595 where: short stacking energy: -693.182 Base-Backbone interact. energy: -1.635 local terms energy: -734.039543 where: bonds (distance) C4'-P energy: -111.636 bonds (distance) P-C4' energy: -156.184 flat angles C4'-P-C4' energy: -152.718 flat angles P-C4'-P energy: -105.811 tors. eta vs tors. theta energy: -207.690 Dist. restrs. and SS energy: 0.000 (S_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: 144 Temperature: 1.250000 Total energy: -2354.356448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.356448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.356448 (E_RNA) where: Base-Base interactions energy: -1682.993 where: short stacking energy: -686.523 Base-Backbone interact. energy: -1.578 local terms energy: -669.784963 where: bonds (distance) C4'-P energy: -119.302 bonds (distance) P-C4' energy: -127.304 flat angles C4'-P-C4' energy: -135.919 flat angles P-C4'-P energy: -92.735 tors. eta vs tors. theta energy: -194.525 Dist. restrs. and SS energy: 0.000 (S_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: 144 Temperature: 1.300000 Total energy: -2174.006452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.006452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.006452 (E_RNA) where: Base-Base interactions energy: -1505.473 where: short stacking energy: -612.001 Base-Backbone interact. energy: -2.332 local terms energy: -666.201329 where: bonds (distance) C4'-P energy: -111.879 bonds (distance) P-C4' energy: -134.347 flat angles C4'-P-C4' energy: -139.510 flat angles P-C4'-P energy: -98.981 tors. eta vs tors. theta energy: -181.485 Dist. restrs. and SS energy: 0.000 (S_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: 144 Temperature: 1.350000 Total energy: -1971.879740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.879740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.879740 (E_RNA) where: Base-Base interactions energy: -1367.423 where: short stacking energy: -568.435 Base-Backbone interact. energy: -1.035 local terms energy: -603.422396 where: bonds (distance) C4'-P energy: -103.656 bonds (distance) P-C4' energy: -120.540 flat angles C4'-P-C4' energy: -139.066 flat angles P-C4'-P energy: -85.707 tors. eta vs tors. theta energy: -154.453 Dist. restrs. and SS energy: 0.000 (S_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: 145 Temperature: 0.900000 Total energy: -2692.975894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.975894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.975894 (E_RNA) where: Base-Base interactions energy: -1921.665 where: short stacking energy: -753.311 Base-Backbone interact. energy: 0.012 local terms energy: -771.322558 where: bonds (distance) C4'-P energy: -114.127 bonds (distance) P-C4' energy: -149.031 flat angles C4'-P-C4' energy: -166.319 flat angles P-C4'-P energy: -112.326 tors. eta vs tors. theta energy: -229.519 Dist. restrs. and SS energy: 0.000 (S_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: -2680.037475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.037475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.037475 (E_RNA) where: Base-Base interactions energy: -1902.721 where: short stacking energy: -753.971 Base-Backbone interact. energy: -4.034 local terms energy: -773.282496 where: bonds (distance) C4'-P energy: -123.626 bonds (distance) P-C4' energy: -150.820 flat angles C4'-P-C4' energy: -162.286 flat angles P-C4'-P energy: -110.444 tors. eta vs tors. theta energy: -226.106 Dist. restrs. and SS energy: 0.000 (S_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: 145 Temperature: 1.000000 Total energy: -2639.489290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.489290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.489290 (E_RNA) where: Base-Base interactions energy: -1878.688 where: short stacking energy: -741.463 Base-Backbone interact. energy: -2.751 local terms energy: -758.050304 where: bonds (distance) C4'-P energy: -117.746 bonds (distance) P-C4' energy: -152.044 flat angles C4'-P-C4' energy: -163.233 flat angles P-C4'-P energy: -108.361 tors. eta vs tors. theta energy: -216.666 Dist. restrs. and SS energy: 0.000 (S_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: 145 Temperature: 1.050000 Total energy: -2636.030236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.030236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.030236 (E_RNA) where: Base-Base interactions energy: -1893.003 where: short stacking energy: -755.418 Base-Backbone interact. energy: -2.418 local terms energy: -740.609622 where: bonds (distance) C4'-P energy: -102.793 bonds (distance) P-C4' energy: -146.613 flat angles C4'-P-C4' energy: -156.348 flat angles P-C4'-P energy: -112.118 tors. eta vs tors. theta energy: -222.738 Dist. restrs. and SS energy: 0.000 (S_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: 145 Temperature: 1.100000 Total energy: -2500.082780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.082780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.082780 (E_RNA) where: Base-Base interactions energy: -1785.074 where: short stacking energy: -710.128 Base-Backbone interact. energy: -1.001 local terms energy: -714.007597 where: bonds (distance) C4'-P energy: -123.529 bonds (distance) P-C4' energy: -141.448 flat angles C4'-P-C4' energy: -146.638 flat angles P-C4'-P energy: -90.982 tors. eta vs tors. theta energy: -211.410 Dist. restrs. and SS energy: 0.000 (S_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: 145 Temperature: 1.150000 Total energy: -2482.068165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.068165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.068165 (E_RNA) where: Base-Base interactions energy: -1746.363 where: short stacking energy: -707.194 Base-Backbone interact. energy: -0.553 local terms energy: -735.152383 where: bonds (distance) C4'-P energy: -114.650 bonds (distance) P-C4' energy: -156.797 flat angles C4'-P-C4' energy: -149.247 flat angles P-C4'-P energy: -101.709 tors. eta vs tors. theta energy: -212.749 Dist. restrs. and SS energy: 0.000 (S_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: -2402.952544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.952544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.952544 (E_RNA) where: Base-Base interactions energy: -1707.928 where: short stacking energy: -692.271 Base-Backbone interact. energy: -0.038 local terms energy: -694.986195 where: bonds (distance) C4'-P energy: -100.401 bonds (distance) P-C4' energy: -145.719 flat angles C4'-P-C4' energy: -143.960 flat angles P-C4'-P energy: -97.171 tors. eta vs tors. theta energy: -207.736 Dist. restrs. and SS energy: 0.000 (S_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: 145 Temperature: 1.250000 Total energy: -2305.945348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.945348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.945348 (E_RNA) where: Base-Base interactions energy: -1625.006 where: short stacking energy: -648.275 Base-Backbone interact. energy: -2.014 local terms energy: -678.925031 where: bonds (distance) C4'-P energy: -111.034 bonds (distance) P-C4' energy: -133.030 flat angles C4'-P-C4' energy: -145.171 flat angles P-C4'-P energy: -100.612 tors. eta vs tors. theta energy: -189.078 Dist. restrs. and SS energy: 0.000 (S_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: -2179.053891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.053891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.053891 (E_RNA) where: Base-Base interactions energy: -1499.417 where: short stacking energy: -604.776 Base-Backbone interact. energy: -0.131 local terms energy: -679.505260 where: bonds (distance) C4'-P energy: -124.536 bonds (distance) P-C4' energy: -128.659 flat angles C4'-P-C4' energy: -142.063 flat angles P-C4'-P energy: -102.472 tors. eta vs tors. theta energy: -181.776 Dist. restrs. and SS energy: 0.000 (S_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: 145 Temperature: 1.350000 Total energy: -1958.206888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.206888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.206888 (E_RNA) where: Base-Base interactions energy: -1321.769 where: short stacking energy: -557.778 Base-Backbone interact. energy: -1.813 local terms energy: -634.624941 where: bonds (distance) C4'-P energy: -102.365 bonds (distance) P-C4' energy: -146.422 flat angles C4'-P-C4' energy: -124.049 flat angles P-C4'-P energy: -93.468 tors. eta vs tors. theta energy: -168.321 Dist. restrs. and SS energy: 0.000 (S_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: 146 Temperature: 0.900000 Total energy: -2700.568568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.568568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.568568 (E_RNA) where: Base-Base interactions energy: -1932.671 where: short stacking energy: -747.120 Base-Backbone interact. energy: -2.507 local terms energy: -765.390777 where: bonds (distance) C4'-P energy: -113.999 bonds (distance) P-C4' energy: -157.595 flat angles C4'-P-C4' energy: -153.981 flat angles P-C4'-P energy: -120.847 tors. eta vs tors. theta energy: -218.969 Dist. restrs. and SS energy: 0.000 (S_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: 146 Temperature: 0.950000 Total energy: -2688.512210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.512210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.512210 (E_RNA) where: Base-Base interactions energy: -1921.879 where: short stacking energy: -748.993 Base-Backbone interact. energy: -0.257 local terms energy: -766.375875 where: bonds (distance) C4'-P energy: -126.152 bonds (distance) P-C4' energy: -152.178 flat angles C4'-P-C4' energy: -158.319 flat angles P-C4'-P energy: -108.614 tors. eta vs tors. theta energy: -221.113 Dist. restrs. and SS energy: 0.000 (S_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: 146 Temperature: 1.000000 Total energy: -2650.768213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.768213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.768213 (E_RNA) where: Base-Base interactions energy: -1883.848 where: short stacking energy: -752.080 Base-Backbone interact. energy: -1.118 local terms energy: -765.802210 where: bonds (distance) C4'-P energy: -120.127 bonds (distance) P-C4' energy: -149.290 flat angles C4'-P-C4' energy: -162.975 flat angles P-C4'-P energy: -115.336 tors. eta vs tors. theta energy: -218.074 Dist. restrs. and SS energy: 0.000 (S_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: 146 Temperature: 1.050000 Total energy: -2605.097193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.097193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.097193 (E_RNA) where: Base-Base interactions energy: -1863.535 where: short stacking energy: -766.224 Base-Backbone interact. energy: -1.715 local terms energy: -739.847335 where: bonds (distance) C4'-P energy: -106.818 bonds (distance) P-C4' energy: -145.068 flat angles C4'-P-C4' energy: -152.442 flat angles P-C4'-P energy: -112.064 tors. eta vs tors. theta energy: -223.455 Dist. restrs. and SS energy: 0.000 (S_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: 146 Temperature: 1.100000 Total energy: -2509.579964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.579964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.579964 (E_RNA) where: Base-Base interactions energy: -1782.279 where: short stacking energy: -713.924 Base-Backbone interact. energy: -1.020 local terms energy: -726.280972 where: bonds (distance) C4'-P energy: -115.027 bonds (distance) P-C4' energy: -137.627 flat angles C4'-P-C4' energy: -153.011 flat angles P-C4'-P energy: -103.997 tors. eta vs tors. theta energy: -216.619 Dist. restrs. and SS energy: 0.000 (S_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: 146 Temperature: 1.150000 Total energy: -2485.448412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.448412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.448412 (E_RNA) where: Base-Base interactions energy: -1761.963 where: short stacking energy: -702.168 Base-Backbone interact. energy: 2.242 local terms energy: -725.726985 where: bonds (distance) C4'-P energy: -105.702 bonds (distance) P-C4' energy: -154.600 flat angles C4'-P-C4' energy: -149.547 flat angles P-C4'-P energy: -98.755 tors. eta vs tors. theta energy: -217.123 Dist. restrs. and SS energy: 0.000 (S_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: 146 Temperature: 1.200000 Total energy: -2452.642627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.642627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.642627 (E_RNA) where: Base-Base interactions energy: -1746.720 where: short stacking energy: -699.825 Base-Backbone interact. energy: -1.707 local terms energy: -704.215382 where: bonds (distance) C4'-P energy: -105.282 bonds (distance) P-C4' energy: -129.231 flat angles C4'-P-C4' energy: -157.220 flat angles P-C4'-P energy: -103.774 tors. eta vs tors. theta energy: -208.709 Dist. restrs. and SS energy: 0.000 (S_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: 146 Temperature: 1.250000 Total energy: -2347.587793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.587793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.587793 (E_RNA) where: Base-Base interactions energy: -1657.307 where: short stacking energy: -671.445 Base-Backbone interact. energy: 1.313 local terms energy: -691.593798 where: bonds (distance) C4'-P energy: -105.999 bonds (distance) P-C4' energy: -133.990 flat angles C4'-P-C4' energy: -147.690 flat angles P-C4'-P energy: -104.727 tors. eta vs tors. theta energy: -199.187 Dist. restrs. and SS energy: 0.000 (S_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: 146 Temperature: 1.300000 Total energy: -2239.202204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.202204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.202204 (E_RNA) where: Base-Base interactions energy: -1559.527 where: short stacking energy: -658.605 Base-Backbone interact. energy: -1.372 local terms energy: -678.302801 where: bonds (distance) C4'-P energy: -97.527 bonds (distance) P-C4' energy: -135.322 flat angles C4'-P-C4' energy: -145.284 flat angles P-C4'-P energy: -103.990 tors. eta vs tors. theta energy: -196.180 Dist. restrs. and SS energy: 0.000 (S_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: 146 Temperature: 1.350000 Total energy: -1965.476286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.476286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.476286 (E_RNA) where: Base-Base interactions energy: -1343.291 where: short stacking energy: -552.436 Base-Backbone interact. energy: -3.410 local terms energy: -618.774553 where: bonds (distance) C4'-P energy: -108.342 bonds (distance) P-C4' energy: -137.779 flat angles C4'-P-C4' energy: -130.373 flat angles P-C4'-P energy: -74.765 tors. eta vs tors. theta energy: -167.516 Dist. restrs. and SS energy: 0.000 (S_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: 147 Temperature: 0.900000 Total energy: -2712.307578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.307578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.307578 (E_RNA) where: Base-Base interactions energy: -1929.741 where: short stacking energy: -761.648 Base-Backbone interact. energy: -2.367 local terms energy: -780.199970 where: bonds (distance) C4'-P energy: -119.348 bonds (distance) P-C4' energy: -156.715 flat angles C4'-P-C4' energy: -159.346 flat angles P-C4'-P energy: -117.590 tors. eta vs tors. theta energy: -227.202 Dist. restrs. and SS energy: 0.000 (S_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: 147 Temperature: 0.950000 Total energy: -2667.365378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.365378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.365378 (E_RNA) where: Base-Base interactions energy: -1910.247 where: short stacking energy: -738.704 Base-Backbone interact. energy: -2.174 local terms energy: -754.945207 where: bonds (distance) C4'-P energy: -115.213 bonds (distance) P-C4' energy: -152.047 flat angles C4'-P-C4' energy: -163.123 flat angles P-C4'-P energy: -111.634 tors. eta vs tors. theta energy: -212.929 Dist. restrs. and SS energy: 0.000 (S_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: 147 Temperature: 1.000000 Total energy: -2646.595991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.595991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.595991 (E_RNA) where: Base-Base interactions energy: -1882.560 where: short stacking energy: -748.214 Base-Backbone interact. energy: -1.011 local terms energy: -763.025537 where: bonds (distance) C4'-P energy: -117.469 bonds (distance) P-C4' energy: -158.161 flat angles C4'-P-C4' energy: -155.288 flat angles P-C4'-P energy: -109.410 tors. eta vs tors. theta energy: -222.698 Dist. restrs. and SS energy: 0.000 (S_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: 147 Temperature: 1.050000 Total energy: -2588.954064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.954064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.954064 (E_RNA) where: Base-Base interactions energy: -1842.921 where: short stacking energy: -731.541 Base-Backbone interact. energy: -0.819 local terms energy: -745.213923 where: bonds (distance) C4'-P energy: -107.943 bonds (distance) P-C4' energy: -157.214 flat angles C4'-P-C4' energy: -161.223 flat angles P-C4'-P energy: -100.897 tors. eta vs tors. theta energy: -217.937 Dist. restrs. and SS energy: 0.000 (S_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: 147 Temperature: 1.100000 Total energy: -2504.625223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.625223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.625223 (E_RNA) where: Base-Base interactions energy: -1789.382 where: short stacking energy: -701.909 Base-Backbone interact. energy: -2.930 local terms energy: -712.313203 where: bonds (distance) C4'-P energy: -109.078 bonds (distance) P-C4' energy: -134.577 flat angles C4'-P-C4' energy: -157.130 flat angles P-C4'-P energy: -101.721 tors. eta vs tors. theta energy: -209.807 Dist. restrs. and SS energy: 0.000 (S_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: 147 Temperature: 1.150000 Total energy: -2498.511898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.511898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.511898 (E_RNA) where: Base-Base interactions energy: -1780.345 where: short stacking energy: -704.696 Base-Backbone interact. energy: -2.060 local terms energy: -716.107305 where: bonds (distance) C4'-P energy: -118.308 bonds (distance) P-C4' energy: -136.960 flat angles C4'-P-C4' energy: -148.565 flat angles P-C4'-P energy: -103.260 tors. eta vs tors. theta energy: -209.015 Dist. restrs. and SS energy: 0.000 (S_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: 147 Temperature: 1.200000 Total energy: -2464.436420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.436420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.436420 (E_RNA) where: Base-Base interactions energy: -1773.928 where: short stacking energy: -708.011 Base-Backbone interact. energy: -0.605 local terms energy: -689.902704 where: bonds (distance) C4'-P energy: -107.513 bonds (distance) P-C4' energy: -129.302 flat angles C4'-P-C4' energy: -148.474 flat angles P-C4'-P energy: -97.795 tors. eta vs tors. theta energy: -206.819 Dist. restrs. and SS energy: 0.000 (S_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: -2342.509127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.509127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.509127 (E_RNA) where: Base-Base interactions energy: -1641.254 where: short stacking energy: -652.447 Base-Backbone interact. energy: 0.264 local terms energy: -701.519573 where: bonds (distance) C4'-P energy: -109.534 bonds (distance) P-C4' energy: -144.817 flat angles C4'-P-C4' energy: -149.547 flat angles P-C4'-P energy: -106.062 tors. eta vs tors. theta energy: -191.560 Dist. restrs. and SS energy: 0.000 (S_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: 147 Temperature: 1.300000 Total energy: -2233.220023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.220023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.220023 (E_RNA) where: Base-Base interactions energy: -1567.537 where: short stacking energy: -636.705 Base-Backbone interact. energy: -2.334 local terms energy: -663.348926 where: bonds (distance) C4'-P energy: -112.997 bonds (distance) P-C4' energy: -138.944 flat angles C4'-P-C4' energy: -136.617 flat angles P-C4'-P energy: -103.952 tors. eta vs tors. theta energy: -170.840 Dist. restrs. and SS energy: 0.000 (S_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: 147 Temperature: 1.350000 Total energy: -1983.238490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.238490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.238490 (E_RNA) where: Base-Base interactions energy: -1363.995 where: short stacking energy: -584.977 Base-Backbone interact. energy: -1.206 local terms energy: -618.037654 where: bonds (distance) C4'-P energy: -97.364 bonds (distance) P-C4' energy: -133.015 flat angles C4'-P-C4' energy: -131.465 flat angles P-C4'-P energy: -93.512 tors. eta vs tors. theta energy: -162.682 Dist. restrs. and SS energy: 0.000 (S_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: 148 Temperature: 0.900000 Total energy: -2702.488633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.488633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.488633 (E_RNA) where: Base-Base interactions energy: -1938.103 where: short stacking energy: -775.847 Base-Backbone interact. energy: -1.702 local terms energy: -762.683604 where: bonds (distance) C4'-P energy: -122.551 bonds (distance) P-C4' energy: -143.175 flat angles C4'-P-C4' energy: -159.458 flat angles P-C4'-P energy: -112.441 tors. eta vs tors. theta energy: -225.060 Dist. restrs. and SS energy: 0.000 (S_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: 148 Temperature: 0.950000 Total energy: -2668.224137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.224137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.224137 (E_RNA) where: Base-Base interactions energy: -1885.350 where: short stacking energy: -759.077 Base-Backbone interact. energy: -2.272 local terms energy: -780.602476 where: bonds (distance) C4'-P energy: -121.981 bonds (distance) P-C4' energy: -156.712 flat angles C4'-P-C4' energy: -163.648 flat angles P-C4'-P energy: -114.602 tors. eta vs tors. theta energy: -223.660 Dist. restrs. and SS energy: 0.000 (S_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: 148 Temperature: 1.000000 Total energy: -2655.027754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.027754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.027754 (E_RNA) where: Base-Base interactions energy: -1910.531 where: short stacking energy: -754.096 Base-Backbone interact. energy: -4.234 local terms energy: -740.263562 where: bonds (distance) C4'-P energy: -113.973 bonds (distance) P-C4' energy: -138.516 flat angles C4'-P-C4' energy: -155.925 flat angles P-C4'-P energy: -110.028 tors. eta vs tors. theta energy: -221.821 Dist. restrs. and SS energy: 0.000 (S_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: 148 Temperature: 1.050000 Total energy: -2615.775282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.775282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.775282 (E_RNA) where: Base-Base interactions energy: -1872.767 where: short stacking energy: -752.563 Base-Backbone interact. energy: 1.024 local terms energy: -744.031614 where: bonds (distance) C4'-P energy: -126.592 bonds (distance) P-C4' energy: -136.388 flat angles C4'-P-C4' energy: -150.452 flat angles P-C4'-P energy: -106.316 tors. eta vs tors. theta energy: -224.284 Dist. restrs. and SS energy: 0.000 (S_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: 148 Temperature: 1.100000 Total energy: -2472.929844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.929844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.929844 (E_RNA) where: Base-Base interactions energy: -1737.199 where: short stacking energy: -701.340 Base-Backbone interact. energy: -1.290 local terms energy: -734.440857 where: bonds (distance) C4'-P energy: -121.100 bonds (distance) P-C4' energy: -145.826 flat angles C4'-P-C4' energy: -150.626 flat angles P-C4'-P energy: -103.471 tors. eta vs tors. theta energy: -213.418 Dist. restrs. and SS energy: 0.000 (S_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: 148 Temperature: 1.150000 Total energy: -2470.269320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.269320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.269320 (E_RNA) where: Base-Base interactions energy: -1731.512 where: short stacking energy: -689.745 Base-Backbone interact. energy: -2.324 local terms energy: -736.433156 where: bonds (distance) C4'-P energy: -108.912 bonds (distance) P-C4' energy: -155.325 flat angles C4'-P-C4' energy: -147.077 flat angles P-C4'-P energy: -112.479 tors. eta vs tors. theta energy: -212.640 Dist. restrs. and SS energy: 0.000 (S_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: 148 Temperature: 1.200000 Total energy: -2481.623473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.623473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.623473 (E_RNA) where: Base-Base interactions energy: -1757.593 where: short stacking energy: -713.016 Base-Backbone interact. energy: -2.442 local terms energy: -721.588809 where: bonds (distance) C4'-P energy: -101.343 bonds (distance) P-C4' energy: -152.237 flat angles C4'-P-C4' energy: -149.069 flat angles P-C4'-P energy: -102.818 tors. eta vs tors. theta energy: -216.123 Dist. restrs. and SS energy: 0.000 (S_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: 148 Temperature: 1.250000 Total energy: -2366.941387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.941387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.941387 (E_RNA) where: Base-Base interactions energy: -1667.585 where: short stacking energy: -665.411 Base-Backbone interact. energy: -1.132 local terms energy: -698.224047 where: bonds (distance) C4'-P energy: -114.526 bonds (distance) P-C4' energy: -134.483 flat angles C4'-P-C4' energy: -148.945 flat angles P-C4'-P energy: -101.884 tors. eta vs tors. theta energy: -198.385 Dist. restrs. and SS energy: 0.000 (S_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: -2244.714213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.714213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.714213 (E_RNA) where: Base-Base interactions energy: -1568.374 where: short stacking energy: -651.038 Base-Backbone interact. energy: 1.784 local terms energy: -678.124787 where: bonds (distance) C4'-P energy: -106.623 bonds (distance) P-C4' energy: -136.150 flat angles C4'-P-C4' energy: -154.949 flat angles P-C4'-P energy: -99.094 tors. eta vs tors. theta energy: -181.308 Dist. restrs. and SS energy: 0.000 (S_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: 148 Temperature: 1.350000 Total energy: -1956.722627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.722627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.722627 (E_RNA) where: Base-Base interactions energy: -1329.276 where: short stacking energy: -559.954 Base-Backbone interact. energy: -1.178 local terms energy: -626.268065 where: bonds (distance) C4'-P energy: -112.848 bonds (distance) P-C4' energy: -122.818 flat angles C4'-P-C4' energy: -144.494 flat angles P-C4'-P energy: -89.580 tors. eta vs tors. theta energy: -156.528 Dist. restrs. and SS energy: 0.000 (S_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: 149 Temperature: 0.900000 Total energy: -2722.404715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.404715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.404715 (E_RNA) where: Base-Base interactions energy: -1931.551 where: short stacking energy: -767.046 Base-Backbone interact. energy: -1.580 local terms energy: -789.273585 where: bonds (distance) C4'-P energy: -119.182 bonds (distance) P-C4' energy: -163.331 flat angles C4'-P-C4' energy: -169.523 flat angles P-C4'-P energy: -112.413 tors. eta vs tors. theta energy: -224.825 Dist. restrs. and SS energy: 0.000 (S_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: 149 Temperature: 0.950000 Total energy: -2674.096082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.096082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.096082 (E_RNA) where: Base-Base interactions energy: -1918.527 where: short stacking energy: -752.820 Base-Backbone interact. energy: -1.927 local terms energy: -753.642316 where: bonds (distance) C4'-P energy: -112.823 bonds (distance) P-C4' energy: -146.077 flat angles C4'-P-C4' energy: -157.733 flat angles P-C4'-P energy: -115.083 tors. eta vs tors. theta energy: -221.927 Dist. restrs. and SS energy: 0.000 (S_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: 149 Temperature: 1.000000 Total energy: -2646.904313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.904313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.904313 (E_RNA) where: Base-Base interactions energy: -1913.541 where: short stacking energy: -741.714 Base-Backbone interact. energy: -3.794 local terms energy: -729.568887 where: bonds (distance) C4'-P energy: -102.819 bonds (distance) P-C4' energy: -138.928 flat angles C4'-P-C4' energy: -159.652 flat angles P-C4'-P energy: -112.978 tors. eta vs tors. theta energy: -215.193 Dist. restrs. and SS energy: 0.000 (S_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: 149 Temperature: 1.050000 Total energy: -2605.242389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.242389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.242389 (E_RNA) where: Base-Base interactions energy: -1868.467 where: short stacking energy: -741.907 Base-Backbone interact. energy: 0.023 local terms energy: -736.798395 where: bonds (distance) C4'-P energy: -88.944 bonds (distance) P-C4' energy: -154.816 flat angles C4'-P-C4' energy: -159.522 flat angles P-C4'-P energy: -111.105 tors. eta vs tors. theta energy: -222.411 Dist. restrs. and SS energy: 0.000 (S_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: -2516.701187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.701187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.701187 (E_RNA) where: Base-Base interactions energy: -1781.584 where: short stacking energy: -730.217 Base-Backbone interact. energy: -0.465 local terms energy: -734.652532 where: bonds (distance) C4'-P energy: -114.549 bonds (distance) P-C4' energy: -134.377 flat angles C4'-P-C4' energy: -155.834 flat angles P-C4'-P energy: -108.108 tors. eta vs tors. theta energy: -221.785 Dist. restrs. and SS energy: 0.000 (S_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: 149 Temperature: 1.150000 Total energy: -2469.474531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.474531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.474531 (E_RNA) where: Base-Base interactions energy: -1746.105 where: short stacking energy: -705.912 Base-Backbone interact. energy: -1.305 local terms energy: -722.064130 where: bonds (distance) C4'-P energy: -113.931 bonds (distance) P-C4' energy: -144.355 flat angles C4'-P-C4' energy: -151.575 flat angles P-C4'-P energy: -91.383 tors. eta vs tors. theta energy: -220.820 Dist. restrs. and SS energy: 0.000 (S_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: 149 Temperature: 1.200000 Total energy: -2495.092382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.092382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.092382 (E_RNA) where: Base-Base interactions energy: -1767.726 where: short stacking energy: -722.456 Base-Backbone interact. energy: 0.426 local terms energy: -727.791942 where: bonds (distance) C4'-P energy: -107.536 bonds (distance) P-C4' energy: -142.544 flat angles C4'-P-C4' energy: -145.669 flat angles P-C4'-P energy: -112.646 tors. eta vs tors. theta energy: -219.398 Dist. restrs. and SS energy: 0.000 (S_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: 149 Temperature: 1.250000 Total energy: -2359.429590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.429590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.429590 (E_RNA) where: Base-Base interactions energy: -1690.432 where: short stacking energy: -680.798 Base-Backbone interact. energy: -1.080 local terms energy: -667.917001 where: bonds (distance) C4'-P energy: -94.967 bonds (distance) P-C4' energy: -142.332 flat angles C4'-P-C4' energy: -138.311 flat angles P-C4'-P energy: -88.829 tors. eta vs tors. theta energy: -203.478 Dist. restrs. and SS energy: 0.000 (S_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: 149 Temperature: 1.300000 Total energy: -2241.447062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.447062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.447062 (E_RNA) where: Base-Base interactions energy: -1569.051 where: short stacking energy: -641.050 Base-Backbone interact. energy: -1.905 local terms energy: -670.491040 where: bonds (distance) C4'-P energy: -95.687 bonds (distance) P-C4' energy: -146.066 flat angles C4'-P-C4' energy: -146.441 flat angles P-C4'-P energy: -94.634 tors. eta vs tors. theta energy: -187.662 Dist. restrs. and SS energy: 0.000 (S_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: 149 Temperature: 1.350000 Total energy: -1971.801146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.801146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.801146 (E_RNA) where: Base-Base interactions energy: -1364.264 where: short stacking energy: -579.287 Base-Backbone interact. energy: -2.262 local terms energy: -605.275083 where: bonds (distance) C4'-P energy: -103.662 bonds (distance) P-C4' energy: -115.975 flat angles C4'-P-C4' energy: -135.553 flat angles P-C4'-P energy: -81.443 tors. eta vs tors. theta energy: -168.642 Dist. restrs. and SS energy: 0.000 (S_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: 150 Temperature: 0.900000 Total energy: -2714.913600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.913600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.913600 (E_RNA) where: Base-Base interactions energy: -1928.141 where: short stacking energy: -755.490 Base-Backbone interact. energy: -3.239 local terms energy: -783.533656 where: bonds (distance) C4'-P energy: -123.796 bonds (distance) P-C4' energy: -156.962 flat angles C4'-P-C4' energy: -167.879 flat angles P-C4'-P energy: -117.725 tors. eta vs tors. theta energy: -217.171 Dist. restrs. and SS energy: 0.000 (S_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: 150 Temperature: 0.950000 Total energy: -2675.390982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.390982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.390982 (E_RNA) where: Base-Base interactions energy: -1892.803 where: short stacking energy: -763.088 Base-Backbone interact. energy: -2.569 local terms energy: -780.019679 where: bonds (distance) C4'-P energy: -123.966 bonds (distance) P-C4' energy: -152.135 flat angles C4'-P-C4' energy: -159.738 flat angles P-C4'-P energy: -114.739 tors. eta vs tors. theta energy: -229.443 Dist. restrs. and SS energy: 0.000 (S_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: 150 Temperature: 1.000000 Total energy: -2654.755794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.755794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.755794 (E_RNA) where: Base-Base interactions energy: -1903.467 where: short stacking energy: -757.188 Base-Backbone interact. energy: -1.980 local terms energy: -749.308927 where: bonds (distance) C4'-P energy: -109.042 bonds (distance) P-C4' energy: -144.175 flat angles C4'-P-C4' energy: -155.091 flat angles P-C4'-P energy: -117.987 tors. eta vs tors. theta energy: -223.014 Dist. restrs. and SS energy: 0.000 (S_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: 150 Temperature: 1.050000 Total energy: -2600.508813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.508813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.508813 (E_RNA) where: Base-Base interactions energy: -1870.434 where: short stacking energy: -732.350 Base-Backbone interact. energy: -2.626 local terms energy: -727.448652 where: bonds (distance) C4'-P energy: -103.556 bonds (distance) P-C4' energy: -142.832 flat angles C4'-P-C4' energy: -163.235 flat angles P-C4'-P energy: -97.146 tors. eta vs tors. theta energy: -220.680 Dist. restrs. and SS energy: 0.000 (S_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: 150 Temperature: 1.100000 Total energy: -2479.502689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.502689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.502689 (E_RNA) where: Base-Base interactions energy: -1761.074 where: short stacking energy: -706.052 Base-Backbone interact. energy: -2.246 local terms energy: -716.182587 where: bonds (distance) C4'-P energy: -108.456 bonds (distance) P-C4' energy: -145.561 flat angles C4'-P-C4' energy: -150.732 flat angles P-C4'-P energy: -99.024 tors. eta vs tors. theta energy: -212.410 Dist. restrs. and SS energy: 0.000 (S_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: 150 Temperature: 1.150000 Total energy: -2464.770141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.770141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.770141 (E_RNA) where: Base-Base interactions energy: -1735.621 where: short stacking energy: -688.378 Base-Backbone interact. energy: -1.966 local terms energy: -727.183364 where: bonds (distance) C4'-P energy: -114.513 bonds (distance) P-C4' energy: -147.933 flat angles C4'-P-C4' energy: -152.446 flat angles P-C4'-P energy: -97.280 tors. eta vs tors. theta energy: -215.011 Dist. restrs. and SS energy: 0.000 (S_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: 150 Temperature: 1.200000 Total energy: -2413.219910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.219910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.219910 (E_RNA) where: Base-Base interactions energy: -1728.966 where: short stacking energy: -682.534 Base-Backbone interact. energy: -2.447 local terms energy: -681.806758 where: bonds (distance) C4'-P energy: -101.755 bonds (distance) P-C4' energy: -133.895 flat angles C4'-P-C4' energy: -152.361 flat angles P-C4'-P energy: -98.400 tors. eta vs tors. theta energy: -195.396 Dist. restrs. and SS energy: 0.000 (S_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: 150 Temperature: 1.250000 Total energy: -2377.968562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.968562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.968562 (E_RNA) where: Base-Base interactions energy: -1701.590 where: short stacking energy: -679.527 Base-Backbone interact. energy: 1.102 local terms energy: -677.480536 where: bonds (distance) C4'-P energy: -87.841 bonds (distance) P-C4' energy: -132.776 flat angles C4'-P-C4' energy: -150.795 flat angles P-C4'-P energy: -100.028 tors. eta vs tors. theta energy: -206.041 Dist. restrs. and SS energy: 0.000 (S_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: 150 Temperature: 1.300000 Total energy: -2233.379828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.379828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.379828 (E_RNA) where: Base-Base interactions energy: -1585.257 where: short stacking energy: -643.828 Base-Backbone interact. energy: -1.463 local terms energy: -646.659778 where: bonds (distance) C4'-P energy: -90.408 bonds (distance) P-C4' energy: -130.106 flat angles C4'-P-C4' energy: -136.042 flat angles P-C4'-P energy: -97.457 tors. eta vs tors. theta energy: -192.647 Dist. restrs. and SS energy: 0.000 (S_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: 150 Temperature: 1.350000 Total energy: -2024.777054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.777054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.777054 (E_RNA) where: Base-Base interactions energy: -1402.042 where: short stacking energy: -585.057 Base-Backbone interact. energy: -0.216 local terms energy: -622.519265 where: bonds (distance) C4'-P energy: -110.774 bonds (distance) P-C4' energy: -128.437 flat angles C4'-P-C4' energy: -132.280 flat angles P-C4'-P energy: -84.971 tors. eta vs tors. theta energy: -166.058 Dist. restrs. and SS energy: 0.000 (S_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: 151 Temperature: 0.900000 Total energy: -2708.822232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.822232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.822232 (E_RNA) where: Base-Base interactions energy: -1935.910 where: short stacking energy: -753.902 Base-Backbone interact. energy: -4.007 local terms energy: -768.904843 where: bonds (distance) C4'-P energy: -120.943 bonds (distance) P-C4' energy: -155.705 flat angles C4'-P-C4' energy: -156.979 flat angles P-C4'-P energy: -120.665 tors. eta vs tors. theta energy: -214.613 Dist. restrs. and SS energy: 0.000 (S_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: 151 Temperature: 0.950000 Total energy: -2673.463196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.463196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.463196 (E_RNA) where: Base-Base interactions energy: -1921.012 where: short stacking energy: -754.045 Base-Backbone interact. energy: -1.381 local terms energy: -751.070137 where: bonds (distance) C4'-P energy: -121.473 bonds (distance) P-C4' energy: -140.265 flat angles C4'-P-C4' energy: -156.431 flat angles P-C4'-P energy: -111.139 tors. eta vs tors. theta energy: -221.761 Dist. restrs. and SS energy: 0.000 (S_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: 151 Temperature: 1.000000 Total energy: -2669.852444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.852444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.852444 (E_RNA) where: Base-Base interactions energy: -1911.337 where: short stacking energy: -757.338 Base-Backbone interact. energy: -1.413 local terms energy: -757.102741 where: bonds (distance) C4'-P energy: -113.175 bonds (distance) P-C4' energy: -145.515 flat angles C4'-P-C4' energy: -163.546 flat angles P-C4'-P energy: -107.645 tors. eta vs tors. theta energy: -227.221 Dist. restrs. and SS energy: 0.000 (S_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: 151 Temperature: 1.050000 Total energy: -2625.033305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.033305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.033305 (E_RNA) where: Base-Base interactions energy: -1863.037 where: short stacking energy: -729.728 Base-Backbone interact. energy: -1.758 local terms energy: -760.237709 where: bonds (distance) C4'-P energy: -123.982 bonds (distance) P-C4' energy: -146.617 flat angles C4'-P-C4' energy: -157.823 flat angles P-C4'-P energy: -107.531 tors. eta vs tors. theta energy: -224.284 Dist. restrs. and SS energy: 0.000 (S_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: 151 Temperature: 1.100000 Total energy: -2507.111256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.111256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.111256 (E_RNA) where: Base-Base interactions energy: -1771.897 where: short stacking energy: -733.502 Base-Backbone interact. energy: 0.066 local terms energy: -735.280184 where: bonds (distance) C4'-P energy: -121.447 bonds (distance) P-C4' energy: -143.267 flat angles C4'-P-C4' energy: -155.527 flat angles P-C4'-P energy: -103.093 tors. eta vs tors. theta energy: -211.946 Dist. restrs. and SS energy: 0.000 (S_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: 151 Temperature: 1.150000 Total energy: -2493.026395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.026395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.026395 (E_RNA) where: Base-Base interactions energy: -1749.682 where: short stacking energy: -713.138 Base-Backbone interact. energy: -0.278 local terms energy: -743.066335 where: bonds (distance) C4'-P energy: -124.999 bonds (distance) P-C4' energy: -145.691 flat angles C4'-P-C4' energy: -153.700 flat angles P-C4'-P energy: -105.454 tors. eta vs tors. theta energy: -213.222 Dist. restrs. and SS energy: 0.000 (S_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: 151 Temperature: 1.200000 Total energy: -2416.364866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.364866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.364866 (E_RNA) where: Base-Base interactions energy: -1696.637 where: short stacking energy: -671.583 Base-Backbone interact. energy: -2.340 local terms energy: -717.387745 where: bonds (distance) C4'-P energy: -119.800 bonds (distance) P-C4' energy: -146.674 flat angles C4'-P-C4' energy: -150.233 flat angles P-C4'-P energy: -99.838 tors. eta vs tors. theta energy: -200.843 Dist. restrs. and SS energy: 0.000 (S_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: 151 Temperature: 1.250000 Total energy: -2378.521692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.521692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.521692 (E_RNA) where: Base-Base interactions energy: -1686.759 where: short stacking energy: -670.225 Base-Backbone interact. energy: 0.283 local terms energy: -692.045120 where: bonds (distance) C4'-P energy: -98.452 bonds (distance) P-C4' energy: -148.806 flat angles C4'-P-C4' energy: -141.734 flat angles P-C4'-P energy: -105.932 tors. eta vs tors. theta energy: -197.122 Dist. restrs. and SS energy: 0.000 (S_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: 151 Temperature: 1.300000 Total energy: -2200.518308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.518308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.518308 (E_RNA) where: Base-Base interactions energy: -1548.075 where: short stacking energy: -636.086 Base-Backbone interact. energy: -1.708 local terms energy: -650.735489 where: bonds (distance) C4'-P energy: -94.003 bonds (distance) P-C4' energy: -127.100 flat angles C4'-P-C4' energy: -136.721 flat angles P-C4'-P energy: -101.186 tors. eta vs tors. theta energy: -191.725 Dist. restrs. and SS energy: 0.000 (S_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: 151 Temperature: 1.350000 Total energy: -2047.222852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.222852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.222852 (E_RNA) where: Base-Base interactions energy: -1392.932 where: short stacking energy: -583.538 Base-Backbone interact. energy: -1.146 local terms energy: -653.144823 where: bonds (distance) C4'-P energy: -109.088 bonds (distance) P-C4' energy: -145.636 flat angles C4'-P-C4' energy: -138.733 flat angles P-C4'-P energy: -86.527 tors. eta vs tors. theta energy: -173.161 Dist. restrs. and SS energy: 0.000 (S_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: 152 Temperature: 0.900000 Total energy: -2722.123820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.123820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.123820 (E_RNA) where: Base-Base interactions energy: -1942.565 where: short stacking energy: -756.705 Base-Backbone interact. energy: -2.397 local terms energy: -777.162458 where: bonds (distance) C4'-P energy: -126.369 bonds (distance) P-C4' energy: -160.022 flat angles C4'-P-C4' energy: -160.690 flat angles P-C4'-P energy: -106.635 tors. eta vs tors. theta energy: -223.447 Dist. restrs. and SS energy: 0.000 (S_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: 152 Temperature: 0.950000 Total energy: -2684.210916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.210916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.210916 (E_RNA) where: Base-Base interactions energy: -1898.041 where: short stacking energy: -736.725 Base-Backbone interact. energy: -1.428 local terms energy: -784.741993 where: bonds (distance) C4'-P energy: -123.296 bonds (distance) P-C4' energy: -151.364 flat angles C4'-P-C4' energy: -168.705 flat angles P-C4'-P energy: -118.892 tors. eta vs tors. theta energy: -222.485 Dist. restrs. and SS energy: 0.000 (S_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: 152 Temperature: 1.000000 Total energy: -2639.038462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.038462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.038462 (E_RNA) where: Base-Base interactions energy: -1896.624 where: short stacking energy: -746.972 Base-Backbone interact. energy: 0.204 local terms energy: -742.618305 where: bonds (distance) C4'-P energy: -116.029 bonds (distance) P-C4' energy: -150.350 flat angles C4'-P-C4' energy: -154.429 flat angles P-C4'-P energy: -108.265 tors. eta vs tors. theta energy: -213.545 Dist. restrs. and SS energy: 0.000 (S_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: -2615.145423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.145423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.145423 (E_RNA) where: Base-Base interactions energy: -1865.121 where: short stacking energy: -744.799 Base-Backbone interact. energy: 0.680 local terms energy: -750.704282 where: bonds (distance) C4'-P energy: -109.928 bonds (distance) P-C4' energy: -154.440 flat angles C4'-P-C4' energy: -159.510 flat angles P-C4'-P energy: -102.709 tors. eta vs tors. theta energy: -224.117 Dist. restrs. and SS energy: 0.000 (S_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: 152 Temperature: 1.100000 Total energy: -2509.708965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.708965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.708965 (E_RNA) where: Base-Base interactions energy: -1774.775 where: short stacking energy: -735.612 Base-Backbone interact. energy: -1.219 local terms energy: -733.714502 where: bonds (distance) C4'-P energy: -108.071 bonds (distance) P-C4' energy: -146.674 flat angles C4'-P-C4' energy: -150.390 flat angles P-C4'-P energy: -101.670 tors. eta vs tors. theta energy: -226.910 Dist. restrs. and SS energy: 0.000 (S_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: 152 Temperature: 1.150000 Total energy: -2456.160820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.160820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.160820 (E_RNA) where: Base-Base interactions energy: -1742.736 where: short stacking energy: -701.630 Base-Backbone interact. energy: -1.773 local terms energy: -711.650883 where: bonds (distance) C4'-P energy: -104.518 bonds (distance) P-C4' energy: -143.473 flat angles C4'-P-C4' energy: -149.428 flat angles P-C4'-P energy: -111.077 tors. eta vs tors. theta energy: -203.155 Dist. restrs. and SS energy: 0.000 (S_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: 152 Temperature: 1.200000 Total energy: -2413.894024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.894024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.894024 (E_RNA) where: Base-Base interactions energy: -1715.167 where: short stacking energy: -661.619 Base-Backbone interact. energy: -1.620 local terms energy: -697.106754 where: bonds (distance) C4'-P energy: -110.479 bonds (distance) P-C4' energy: -134.879 flat angles C4'-P-C4' energy: -146.775 flat angles P-C4'-P energy: -107.928 tors. eta vs tors. theta energy: -197.045 Dist. restrs. and SS energy: 0.000 (S_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: 152 Temperature: 1.250000 Total energy: -2379.914016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.914016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.914016 (E_RNA) where: Base-Base interactions energy: -1675.488 where: short stacking energy: -670.691 Base-Backbone interact. energy: -3.165 local terms energy: -701.260626 where: bonds (distance) C4'-P energy: -116.690 bonds (distance) P-C4' energy: -135.173 flat angles C4'-P-C4' energy: -152.724 flat angles P-C4'-P energy: -101.175 tors. eta vs tors. theta energy: -195.498 Dist. restrs. and SS energy: 0.000 (S_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: 152 Temperature: 1.300000 Total energy: -2203.940638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.940638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.940638 (E_RNA) where: Base-Base interactions energy: -1531.403 where: short stacking energy: -637.401 Base-Backbone interact. energy: -1.069 local terms energy: -671.468800 where: bonds (distance) C4'-P energy: -103.668 bonds (distance) P-C4' energy: -137.525 flat angles C4'-P-C4' energy: -145.286 flat angles P-C4'-P energy: -97.268 tors. eta vs tors. theta energy: -187.721 Dist. restrs. and SS energy: 0.000 (S_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: 152 Temperature: 1.350000 Total energy: -2016.202001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.202001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.202001 (E_RNA) where: Base-Base interactions energy: -1359.211 where: short stacking energy: -574.367 Base-Backbone interact. energy: 1.854 local terms energy: -658.844877 where: bonds (distance) C4'-P energy: -115.494 bonds (distance) P-C4' energy: -133.869 flat angles C4'-P-C4' energy: -143.193 flat angles P-C4'-P energy: -99.053 tors. eta vs tors. theta energy: -167.236 Dist. restrs. and SS energy: 0.000 (S_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: 153 Temperature: 0.900000 Total energy: -2718.089435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.089435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.089435 (E_RNA) where: Base-Base interactions energy: -1922.605 where: short stacking energy: -778.226 Base-Backbone interact. energy: -1.744 local terms energy: -793.740557 where: bonds (distance) C4'-P energy: -131.556 bonds (distance) P-C4' energy: -156.593 flat angles C4'-P-C4' energy: -157.821 flat angles P-C4'-P energy: -114.319 tors. eta vs tors. theta energy: -233.452 Dist. restrs. and SS energy: 0.000 (S_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: 153 Temperature: 0.950000 Total energy: -2678.400080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.400080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.400080 (E_RNA) where: Base-Base interactions energy: -1918.778 where: short stacking energy: -747.481 Base-Backbone interact. energy: 0.332 local terms energy: -759.953871 where: bonds (distance) C4'-P energy: -111.383 bonds (distance) P-C4' energy: -149.026 flat angles C4'-P-C4' energy: -170.861 flat angles P-C4'-P energy: -110.519 tors. eta vs tors. theta energy: -218.165 Dist. restrs. and SS energy: 0.000 (S_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: 153 Temperature: 1.000000 Total energy: -2638.046945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.046945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.046945 (E_RNA) where: Base-Base interactions energy: -1882.424 where: short stacking energy: -738.647 Base-Backbone interact. energy: 0.556 local terms energy: -756.178934 where: bonds (distance) C4'-P energy: -114.068 bonds (distance) P-C4' energy: -155.349 flat angles C4'-P-C4' energy: -161.988 flat angles P-C4'-P energy: -107.841 tors. eta vs tors. theta energy: -216.933 Dist. restrs. and SS energy: 0.000 (S_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: 153 Temperature: 1.050000 Total energy: -2626.694808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.694808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.694808 (E_RNA) where: Base-Base interactions energy: -1876.549 where: short stacking energy: -736.972 Base-Backbone interact. energy: -2.380 local terms energy: -747.765748 where: bonds (distance) C4'-P energy: -113.156 bonds (distance) P-C4' energy: -156.390 flat angles C4'-P-C4' energy: -148.224 flat angles P-C4'-P energy: -107.617 tors. eta vs tors. theta energy: -222.380 Dist. restrs. and SS energy: 0.000 (S_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: 153 Temperature: 1.100000 Total energy: -2542.347692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.347692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.347692 (E_RNA) where: Base-Base interactions energy: -1795.958 where: short stacking energy: -728.309 Base-Backbone interact. energy: -1.934 local terms energy: -744.455650 where: bonds (distance) C4'-P energy: -130.354 bonds (distance) P-C4' energy: -138.501 flat angles C4'-P-C4' energy: -146.681 flat angles P-C4'-P energy: -104.405 tors. eta vs tors. theta energy: -224.513 Dist. restrs. and SS energy: 0.000 (S_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: 153 Temperature: 1.150000 Total energy: -2441.810517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.810517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.810517 (E_RNA) where: Base-Base interactions energy: -1724.857 where: short stacking energy: -701.172 Base-Backbone interact. energy: -1.863 local terms energy: -715.090906 where: bonds (distance) C4'-P energy: -122.609 bonds (distance) P-C4' energy: -144.784 flat angles C4'-P-C4' energy: -143.656 flat angles P-C4'-P energy: -104.859 tors. eta vs tors. theta energy: -199.183 Dist. restrs. and SS energy: 0.000 (S_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: 153 Temperature: 1.200000 Total energy: -2423.771517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.771517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.771517 (E_RNA) where: Base-Base interactions energy: -1697.255 where: short stacking energy: -680.840 Base-Backbone interact. energy: -0.247 local terms energy: -726.269920 where: bonds (distance) C4'-P energy: -110.839 bonds (distance) P-C4' energy: -155.501 flat angles C4'-P-C4' energy: -152.484 flat angles P-C4'-P energy: -104.131 tors. eta vs tors. theta energy: -203.315 Dist. restrs. and SS energy: 0.000 (S_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: 153 Temperature: 1.250000 Total energy: -2386.907888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.907888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.907888 (E_RNA) where: Base-Base interactions energy: -1678.240 where: short stacking energy: -669.874 Base-Backbone interact. energy: -1.474 local terms energy: -707.193509 where: bonds (distance) C4'-P energy: -113.458 bonds (distance) P-C4' energy: -138.285 flat angles C4'-P-C4' energy: -156.311 flat angles P-C4'-P energy: -98.370 tors. eta vs tors. theta energy: -200.770 Dist. restrs. and SS energy: 0.000 (S_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: 153 Temperature: 1.300000 Total energy: -2198.118306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.118306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.118306 (E_RNA) where: Base-Base interactions energy: -1524.197 where: short stacking energy: -633.782 Base-Backbone interact. energy: 0.875 local terms energy: -674.795521 where: bonds (distance) C4'-P energy: -113.526 bonds (distance) P-C4' energy: -153.727 flat angles C4'-P-C4' energy: -132.886 flat angles P-C4'-P energy: -90.448 tors. eta vs tors. theta energy: -184.209 Dist. restrs. and SS energy: 0.000 (S_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: 153 Temperature: 1.350000 Total energy: -1990.645768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.645768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.645768 (E_RNA) where: Base-Base interactions energy: -1356.862 where: short stacking energy: -575.166 Base-Backbone interact. energy: -0.371 local terms energy: -633.412880 where: bonds (distance) C4'-P energy: -114.836 bonds (distance) P-C4' energy: -129.046 flat angles C4'-P-C4' energy: -133.611 flat angles P-C4'-P energy: -91.620 tors. eta vs tors. theta energy: -164.300 Dist. restrs. and SS energy: 0.000 (S_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: 154 Temperature: 0.900000 Total energy: -2692.664283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.664283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.664283 (E_RNA) where: Base-Base interactions energy: -1930.696 where: short stacking energy: -762.359 Base-Backbone interact. energy: -3.099 local terms energy: -758.869479 where: bonds (distance) C4'-P energy: -114.927 bonds (distance) P-C4' energy: -152.718 flat angles C4'-P-C4' energy: -165.436 flat angles P-C4'-P energy: -111.487 tors. eta vs tors. theta energy: -214.302 Dist. restrs. and SS energy: 0.000 (S_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: 154 Temperature: 0.950000 Total energy: -2691.196329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.196329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.196329 (E_RNA) where: Base-Base interactions energy: -1930.281 where: short stacking energy: -769.465 Base-Backbone interact. energy: 1.787 local terms energy: -762.702184 where: bonds (distance) C4'-P energy: -112.864 bonds (distance) P-C4' energy: -151.335 flat angles C4'-P-C4' energy: -155.936 flat angles P-C4'-P energy: -112.497 tors. eta vs tors. theta energy: -230.070 Dist. restrs. and SS energy: 0.000 (S_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: 154 Temperature: 1.000000 Total energy: -2643.421676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.421676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.421676 (E_RNA) where: Base-Base interactions energy: -1892.371 where: short stacking energy: -751.836 Base-Backbone interact. energy: -2.501 local terms energy: -748.550432 where: bonds (distance) C4'-P energy: -115.037 bonds (distance) P-C4' energy: -136.662 flat angles C4'-P-C4' energy: -160.634 flat angles P-C4'-P energy: -111.046 tors. eta vs tors. theta energy: -225.172 Dist. restrs. and SS energy: 0.000 (S_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: 154 Temperature: 1.050000 Total energy: -2620.486067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.486067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.486067 (E_RNA) where: Base-Base interactions energy: -1868.717 where: short stacking energy: -739.427 Base-Backbone interact. energy: -1.701 local terms energy: -750.067512 where: bonds (distance) C4'-P energy: -119.315 bonds (distance) P-C4' energy: -143.933 flat angles C4'-P-C4' energy: -161.478 flat angles P-C4'-P energy: -103.408 tors. eta vs tors. theta energy: -221.934 Dist. restrs. and SS energy: 0.000 (S_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: 154 Temperature: 1.100000 Total energy: -2527.791245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.791245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.791245 (E_RNA) where: Base-Base interactions energy: -1808.841 where: short stacking energy: -718.982 Base-Backbone interact. energy: -2.194 local terms energy: -716.755470 where: bonds (distance) C4'-P energy: -105.070 bonds (distance) P-C4' energy: -140.396 flat angles C4'-P-C4' energy: -157.421 flat angles P-C4'-P energy: -102.360 tors. eta vs tors. theta energy: -211.508 Dist. restrs. and SS energy: 0.000 (S_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: 154 Temperature: 1.150000 Total energy: -2459.413172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.413172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.413172 (E_RNA) where: Base-Base interactions energy: -1738.999 where: short stacking energy: -695.466 Base-Backbone interact. energy: -1.659 local terms energy: -718.755221 where: bonds (distance) C4'-P energy: -114.105 bonds (distance) P-C4' energy: -155.963 flat angles C4'-P-C4' energy: -149.981 flat angles P-C4'-P energy: -84.103 tors. eta vs tors. theta energy: -214.603 Dist. restrs. and SS energy: 0.000 (S_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: 154 Temperature: 1.200000 Total energy: -2418.471610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.471610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.471610 (E_RNA) where: Base-Base interactions energy: -1716.360 where: short stacking energy: -685.942 Base-Backbone interact. energy: -1.396 local terms energy: -700.715765 where: bonds (distance) C4'-P energy: -106.103 bonds (distance) P-C4' energy: -140.498 flat angles C4'-P-C4' energy: -154.362 flat angles P-C4'-P energy: -98.056 tors. eta vs tors. theta energy: -201.698 Dist. restrs. and SS energy: 0.000 (S_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: 154 Temperature: 1.250000 Total energy: -2418.244045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.244045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.244045 (E_RNA) where: Base-Base interactions energy: -1721.496 where: short stacking energy: -702.062 Base-Backbone interact. energy: -0.797 local terms energy: -695.950998 where: bonds (distance) C4'-P energy: -101.817 bonds (distance) P-C4' energy: -135.892 flat angles C4'-P-C4' energy: -155.684 flat angles P-C4'-P energy: -99.082 tors. eta vs tors. theta energy: -203.476 Dist. restrs. and SS energy: 0.000 (S_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: 154 Temperature: 1.300000 Total energy: -2167.764228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.764228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.764228 (E_RNA) where: Base-Base interactions energy: -1517.431 where: short stacking energy: -613.309 Base-Backbone interact. energy: -0.278 local terms energy: -650.054860 where: bonds (distance) C4'-P energy: -100.361 bonds (distance) P-C4' energy: -140.863 flat angles C4'-P-C4' energy: -139.413 flat angles P-C4'-P energy: -93.995 tors. eta vs tors. theta energy: -175.422 Dist. restrs. and SS energy: 0.000 (S_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: 154 Temperature: 1.350000 Total energy: -2010.213453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.213453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.213453 (E_RNA) where: Base-Base interactions energy: -1369.501 where: short stacking energy: -578.654 Base-Backbone interact. energy: -1.247 local terms energy: -639.465035 where: bonds (distance) C4'-P energy: -111.452 bonds (distance) P-C4' energy: -153.281 flat angles C4'-P-C4' energy: -120.431 flat angles P-C4'-P energy: -90.005 tors. eta vs tors. theta energy: -164.296 Dist. restrs. and SS energy: 0.000 (S_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: 155 Temperature: 0.900000 Total energy: -2664.347314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.347314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.347314 (E_RNA) where: Base-Base interactions energy: -1907.916 where: short stacking energy: -753.706 Base-Backbone interact. energy: -1.769 local terms energy: -754.662055 where: bonds (distance) C4'-P energy: -115.869 bonds (distance) P-C4' energy: -153.506 flat angles C4'-P-C4' energy: -160.606 flat angles P-C4'-P energy: -115.526 tors. eta vs tors. theta energy: -209.156 Dist. restrs. and SS energy: 0.000 (S_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: 155 Temperature: 0.950000 Total energy: -2706.194064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.194064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.194064 (E_RNA) where: Base-Base interactions energy: -1937.062 where: short stacking energy: -765.854 Base-Backbone interact. energy: -1.983 local terms energy: -767.148358 where: bonds (distance) C4'-P energy: -114.217 bonds (distance) P-C4' energy: -148.410 flat angles C4'-P-C4' energy: -168.354 flat angles P-C4'-P energy: -107.884 tors. eta vs tors. theta energy: -228.283 Dist. restrs. and SS energy: 0.000 (S_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: 155 Temperature: 1.000000 Total energy: -2659.084111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.084111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.084111 (E_RNA) where: Base-Base interactions energy: -1891.461 where: short stacking energy: -757.508 Base-Backbone interact. energy: -1.342 local terms energy: -766.281113 where: bonds (distance) C4'-P energy: -123.724 bonds (distance) P-C4' energy: -144.986 flat angles C4'-P-C4' energy: -162.112 flat angles P-C4'-P energy: -107.664 tors. eta vs tors. theta energy: -227.796 Dist. restrs. and SS energy: 0.000 (S_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: 155 Temperature: 1.050000 Total energy: -2604.304054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.304054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.304054 (E_RNA) where: Base-Base interactions energy: -1875.929 where: short stacking energy: -763.504 Base-Backbone interact. energy: -1.233 local terms energy: -727.142259 where: bonds (distance) C4'-P energy: -103.753 bonds (distance) P-C4' energy: -138.552 flat angles C4'-P-C4' energy: -150.293 flat angles P-C4'-P energy: -107.757 tors. eta vs tors. theta energy: -226.788 Dist. restrs. and SS energy: 0.000 (S_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: 155 Temperature: 1.100000 Total energy: -2527.192872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.192872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.192872 (E_RNA) where: Base-Base interactions energy: -1789.813 where: short stacking energy: -709.269 Base-Backbone interact. energy: -2.013 local terms energy: -735.367208 where: bonds (distance) C4'-P energy: -111.709 bonds (distance) P-C4' energy: -151.442 flat angles C4'-P-C4' energy: -155.775 flat angles P-C4'-P energy: -109.231 tors. eta vs tors. theta energy: -207.211 Dist. restrs. and SS energy: 0.000 (S_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: 155 Temperature: 1.150000 Total energy: -2450.541846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.541846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.541846 (E_RNA) where: Base-Base interactions energy: -1733.933 where: short stacking energy: -709.821 Base-Backbone interact. energy: -2.371 local terms energy: -714.237558 where: bonds (distance) C4'-P energy: -104.715 bonds (distance) P-C4' energy: -143.107 flat angles C4'-P-C4' energy: -153.185 flat angles P-C4'-P energy: -93.412 tors. eta vs tors. theta energy: -219.819 Dist. restrs. and SS energy: 0.000 (S_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: 155 Temperature: 1.200000 Total energy: -2410.775812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.775812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.775812 (E_RNA) where: Base-Base interactions energy: -1689.138 where: short stacking energy: -672.845 Base-Backbone interact. energy: -1.285 local terms energy: -720.353689 where: bonds (distance) C4'-P energy: -122.416 bonds (distance) P-C4' energy: -155.003 flat angles C4'-P-C4' energy: -148.900 flat angles P-C4'-P energy: -93.020 tors. eta vs tors. theta energy: -201.016 Dist. restrs. and SS energy: 0.000 (S_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: 155 Temperature: 1.250000 Total energy: -2413.666246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.666246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.666246 (E_RNA) where: Base-Base interactions energy: -1717.236 where: short stacking energy: -685.447 Base-Backbone interact. energy: 1.245 local terms energy: -697.674806 where: bonds (distance) C4'-P energy: -96.151 bonds (distance) P-C4' energy: -144.669 flat angles C4'-P-C4' energy: -149.697 flat angles P-C4'-P energy: -91.669 tors. eta vs tors. theta energy: -215.489 Dist. restrs. and SS energy: 0.000 (S_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: 155 Temperature: 1.300000 Total energy: -2212.433938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.433938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.433938 (E_RNA) where: Base-Base interactions energy: -1532.177 where: short stacking energy: -616.008 Base-Backbone interact. energy: -1.228 local terms energy: -679.029231 where: bonds (distance) C4'-P energy: -112.494 bonds (distance) P-C4' energy: -139.767 flat angles C4'-P-C4' energy: -147.329 flat angles P-C4'-P energy: -100.303 tors. eta vs tors. theta energy: -179.136 Dist. restrs. and SS energy: 0.000 (S_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: 155 Temperature: 1.350000 Total energy: -1967.935442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.935442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.935442 (E_RNA) where: Base-Base interactions energy: -1324.058 where: short stacking energy: -541.841 Base-Backbone interact. energy: -1.336 local terms energy: -642.540822 where: bonds (distance) C4'-P energy: -108.437 bonds (distance) P-C4' energy: -141.897 flat angles C4'-P-C4' energy: -133.207 flat angles P-C4'-P energy: -97.825 tors. eta vs tors. theta energy: -161.175 Dist. restrs. and SS energy: 0.000 (S_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: 156 Temperature: 0.900000 Total energy: -2706.151924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.151924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.151924 (E_RNA) where: Base-Base interactions energy: -1936.972 where: short stacking energy: -756.552 Base-Backbone interact. energy: -1.759 local terms energy: -767.420503 where: bonds (distance) C4'-P energy: -119.988 bonds (distance) P-C4' energy: -152.414 flat angles C4'-P-C4' energy: -154.693 flat angles P-C4'-P energy: -111.448 tors. eta vs tors. theta energy: -228.878 Dist. restrs. and SS energy: 0.000 (S_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: 156 Temperature: 0.950000 Total energy: -2670.684843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.684843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.684843 (E_RNA) where: Base-Base interactions energy: -1909.177 where: short stacking energy: -744.377 Base-Backbone interact. energy: -3.276 local terms energy: -758.231813 where: bonds (distance) C4'-P energy: -114.545 bonds (distance) P-C4' energy: -155.511 flat angles C4'-P-C4' energy: -159.742 flat angles P-C4'-P energy: -108.288 tors. eta vs tors. theta energy: -220.146 Dist. restrs. and SS energy: 0.000 (S_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: 156 Temperature: 1.000000 Total energy: -2670.134135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.134135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.134135 (E_RNA) where: Base-Base interactions energy: -1894.298 where: short stacking energy: -750.302 Base-Backbone interact. energy: -0.479 local terms energy: -775.357031 where: bonds (distance) C4'-P energy: -122.657 bonds (distance) P-C4' energy: -154.141 flat angles C4'-P-C4' energy: -156.878 flat angles P-C4'-P energy: -112.572 tors. eta vs tors. theta energy: -229.109 Dist. restrs. and SS energy: 0.000 (S_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: 156 Temperature: 1.050000 Total energy: -2596.692633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.692633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.692633 (E_RNA) where: Base-Base interactions energy: -1845.718 where: short stacking energy: -757.579 Base-Backbone interact. energy: -1.236 local terms energy: -749.738023 where: bonds (distance) C4'-P energy: -123.405 bonds (distance) P-C4' energy: -137.917 flat angles C4'-P-C4' energy: -149.751 flat angles P-C4'-P energy: -111.262 tors. eta vs tors. theta energy: -227.403 Dist. restrs. and SS energy: 0.000 (S_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: 156 Temperature: 1.100000 Total energy: -2528.973312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.973312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.973312 (E_RNA) where: Base-Base interactions energy: -1786.126 where: short stacking energy: -713.728 Base-Backbone interact. energy: -2.420 local terms energy: -740.427854 where: bonds (distance) C4'-P energy: -111.307 bonds (distance) P-C4' energy: -158.246 flat angles C4'-P-C4' energy: -152.815 flat angles P-C4'-P energy: -99.769 tors. eta vs tors. theta energy: -218.290 Dist. restrs. and SS energy: 0.000 (S_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: 156 Temperature: 1.150000 Total energy: -2444.083048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.083048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.083048 (E_RNA) where: Base-Base interactions energy: -1728.123 where: short stacking energy: -699.578 Base-Backbone interact. energy: 2.151 local terms energy: -718.111767 where: bonds (distance) C4'-P energy: -114.156 bonds (distance) P-C4' energy: -143.623 flat angles C4'-P-C4' energy: -145.318 flat angles P-C4'-P energy: -102.690 tors. eta vs tors. theta energy: -212.324 Dist. restrs. and SS energy: 0.000 (S_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: 156 Temperature: 1.200000 Total energy: -2428.133439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.133439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.133439 (E_RNA) where: Base-Base interactions energy: -1712.712 where: short stacking energy: -692.746 Base-Backbone interact. energy: 1.381 local terms energy: -716.802763 where: bonds (distance) C4'-P energy: -111.198 bonds (distance) P-C4' energy: -141.942 flat angles C4'-P-C4' energy: -149.681 flat angles P-C4'-P energy: -103.123 tors. eta vs tors. theta energy: -210.859 Dist. restrs. and SS energy: 0.000 (S_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: 156 Temperature: 1.250000 Total energy: -2389.078583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.078583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.078583 (E_RNA) where: Base-Base interactions energy: -1684.094 where: short stacking energy: -689.201 Base-Backbone interact. energy: -2.178 local terms energy: -702.807102 where: bonds (distance) C4'-P energy: -111.048 bonds (distance) P-C4' energy: -149.303 flat angles C4'-P-C4' energy: -140.048 flat angles P-C4'-P energy: -101.195 tors. eta vs tors. theta energy: -201.213 Dist. restrs. and SS energy: 0.000 (S_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: 156 Temperature: 1.300000 Total energy: -2209.267509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.267509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.267509 (E_RNA) where: Base-Base interactions energy: -1544.508 where: short stacking energy: -635.281 Base-Backbone interact. energy: -1.601 local terms energy: -663.157817 where: bonds (distance) C4'-P energy: -95.037 bonds (distance) P-C4' energy: -131.402 flat angles C4'-P-C4' energy: -155.000 flat angles P-C4'-P energy: -108.223 tors. eta vs tors. theta energy: -173.496 Dist. restrs. and SS energy: 0.000 (S_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: 156 Temperature: 1.350000 Total energy: -1931.879695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.879695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.879695 (E_RNA) where: Base-Base interactions energy: -1307.786 where: short stacking energy: -556.015 Base-Backbone interact. energy: -0.667 local terms energy: -623.426663 where: bonds (distance) C4'-P energy: -105.322 bonds (distance) P-C4' energy: -144.694 flat angles C4'-P-C4' energy: -137.288 flat angles P-C4'-P energy: -79.553 tors. eta vs tors. theta energy: -156.569 Dist. restrs. and SS energy: 0.000 (S_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: 157 Temperature: 0.900000 Total energy: -2701.409296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.409296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.409296 (E_RNA) where: Base-Base interactions energy: -1922.241 where: short stacking energy: -747.303 Base-Backbone interact. energy: -0.963 local terms energy: -778.205309 where: bonds (distance) C4'-P energy: -122.976 bonds (distance) P-C4' energy: -154.041 flat angles C4'-P-C4' energy: -160.543 flat angles P-C4'-P energy: -113.522 tors. eta vs tors. theta energy: -227.124 Dist. restrs. and SS energy: 0.000 (S_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: 157 Temperature: 0.950000 Total energy: -2673.217208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.217208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.217208 (E_RNA) where: Base-Base interactions energy: -1908.086 where: short stacking energy: -741.877 Base-Backbone interact. energy: -3.740 local terms energy: -761.390623 where: bonds (distance) C4'-P energy: -120.754 bonds (distance) P-C4' energy: -152.323 flat angles C4'-P-C4' energy: -159.832 flat angles P-C4'-P energy: -110.686 tors. eta vs tors. theta energy: -217.795 Dist. restrs. and SS energy: 0.000 (S_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: 157 Temperature: 1.000000 Total energy: -2641.198355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.198355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.198355 (E_RNA) where: Base-Base interactions energy: -1863.790 where: short stacking energy: -746.443 Base-Backbone interact. energy: 0.651 local terms energy: -778.059281 where: bonds (distance) C4'-P energy: -118.839 bonds (distance) P-C4' energy: -149.159 flat angles C4'-P-C4' energy: -160.851 flat angles P-C4'-P energy: -117.173 tors. eta vs tors. theta energy: -232.037 Dist. restrs. and SS energy: 0.000 (S_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: 157 Temperature: 1.050000 Total energy: -2594.065371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.065371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.065371 (E_RNA) where: Base-Base interactions energy: -1846.732 where: short stacking energy: -739.287 Base-Backbone interact. energy: -0.969 local terms energy: -746.363991 where: bonds (distance) C4'-P energy: -128.820 bonds (distance) P-C4' energy: -130.775 flat angles C4'-P-C4' energy: -157.339 flat angles P-C4'-P energy: -101.569 tors. eta vs tors. theta energy: -227.861 Dist. restrs. and SS energy: 0.000 (S_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: 157 Temperature: 1.100000 Total energy: -2536.770847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.770847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.770847 (E_RNA) where: Base-Base interactions energy: -1806.720 where: short stacking energy: -725.628 Base-Backbone interact. energy: -1.214 local terms energy: -728.836862 where: bonds (distance) C4'-P energy: -113.425 bonds (distance) P-C4' energy: -138.650 flat angles C4'-P-C4' energy: -155.890 flat angles P-C4'-P energy: -104.586 tors. eta vs tors. theta energy: -216.285 Dist. restrs. and SS energy: 0.000 (S_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: 157 Temperature: 1.150000 Total energy: -2461.114245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.114245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.114245 (E_RNA) where: Base-Base interactions energy: -1727.159 where: short stacking energy: -710.246 Base-Backbone interact. energy: -1.630 local terms energy: -732.325068 where: bonds (distance) C4'-P energy: -119.243 bonds (distance) P-C4' energy: -148.172 flat angles C4'-P-C4' energy: -148.058 flat angles P-C4'-P energy: -104.383 tors. eta vs tors. theta energy: -212.470 Dist. restrs. and SS energy: 0.000 (S_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: 157 Temperature: 1.200000 Total energy: -2462.226699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.226699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.226699 (E_RNA) where: Base-Base interactions energy: -1747.420 where: short stacking energy: -685.861 Base-Backbone interact. energy: 0.188 local terms energy: -714.995107 where: bonds (distance) C4'-P energy: -108.649 bonds (distance) P-C4' energy: -134.181 flat angles C4'-P-C4' energy: -152.117 flat angles P-C4'-P energy: -111.684 tors. eta vs tors. theta energy: -208.364 Dist. restrs. and SS energy: 0.000 (S_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: 157 Temperature: 1.250000 Total energy: -2367.133477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.133477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.133477 (E_RNA) where: Base-Base interactions energy: -1700.270 where: short stacking energy: -676.191 Base-Backbone interact. energy: -1.483 local terms energy: -665.381204 where: bonds (distance) C4'-P energy: -110.928 bonds (distance) P-C4' energy: -129.372 flat angles C4'-P-C4' energy: -146.022 flat angles P-C4'-P energy: -93.001 tors. eta vs tors. theta energy: -186.059 Dist. restrs. and SS energy: 0.000 (S_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: 157 Temperature: 1.300000 Total energy: -2213.474411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.474411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.474411 (E_RNA) where: Base-Base interactions energy: -1520.773 where: short stacking energy: -624.188 Base-Backbone interact. energy: -1.294 local terms energy: -691.407524 where: bonds (distance) C4'-P energy: -117.421 bonds (distance) P-C4' energy: -149.341 flat angles C4'-P-C4' energy: -141.432 flat angles P-C4'-P energy: -107.161 tors. eta vs tors. theta energy: -176.053 Dist. restrs. and SS energy: 0.000 (S_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: 157 Temperature: 1.350000 Total energy: -1950.785786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.785786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.785786 (E_RNA) where: Base-Base interactions energy: -1333.678 where: short stacking energy: -574.757 Base-Backbone interact. energy: -0.195 local terms energy: -616.912411 where: bonds (distance) C4'-P energy: -102.248 bonds (distance) P-C4' energy: -138.273 flat angles C4'-P-C4' energy: -139.736 flat angles P-C4'-P energy: -82.075 tors. eta vs tors. theta energy: -154.580 Dist. restrs. and SS energy: 0.000 (S_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: 158 Temperature: 0.900000 Total energy: -2705.074321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.074321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.074321 (E_RNA) where: Base-Base interactions energy: -1928.806 where: short stacking energy: -777.715 Base-Backbone interact. energy: -1.528 local terms energy: -774.740239 where: bonds (distance) C4'-P energy: -121.161 bonds (distance) P-C4' energy: -149.097 flat angles C4'-P-C4' energy: -158.145 flat angles P-C4'-P energy: -113.106 tors. eta vs tors. theta energy: -233.230 Dist. restrs. and SS energy: 0.000 (S_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: 158 Temperature: 0.950000 Total energy: -2672.649438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.649438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.649438 (E_RNA) where: Base-Base interactions energy: -1895.879 where: short stacking energy: -741.715 Base-Backbone interact. energy: -3.122 local terms energy: -773.647967 where: bonds (distance) C4'-P energy: -118.669 bonds (distance) P-C4' energy: -167.798 flat angles C4'-P-C4' energy: -154.898 flat angles P-C4'-P energy: -112.652 tors. eta vs tors. theta energy: -219.630 Dist. restrs. and SS energy: 0.000 (S_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: 158 Temperature: 1.000000 Total energy: -2649.865767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.865767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.865767 (E_RNA) where: Base-Base interactions energy: -1892.706 where: short stacking energy: -743.906 Base-Backbone interact. energy: -1.773 local terms energy: -755.387287 where: bonds (distance) C4'-P energy: -114.208 bonds (distance) P-C4' energy: -153.948 flat angles C4'-P-C4' energy: -160.493 flat angles P-C4'-P energy: -107.038 tors. eta vs tors. theta energy: -219.701 Dist. restrs. and SS energy: 0.000 (S_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: 158 Temperature: 1.050000 Total energy: -2611.749779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.749779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.749779 (E_RNA) where: Base-Base interactions energy: -1859.808 where: short stacking energy: -737.173 Base-Backbone interact. energy: -2.193 local terms energy: -749.748717 where: bonds (distance) C4'-P energy: -111.439 bonds (distance) P-C4' energy: -141.462 flat angles C4'-P-C4' energy: -153.330 flat angles P-C4'-P energy: -113.267 tors. eta vs tors. theta energy: -230.250 Dist. restrs. and SS energy: 0.000 (S_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: 158 Temperature: 1.100000 Total energy: -2497.861796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.861796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.861796 (E_RNA) where: Base-Base interactions energy: -1772.031 where: short stacking energy: -717.240 Base-Backbone interact. energy: -0.765 local terms energy: -725.065208 where: bonds (distance) C4'-P energy: -117.542 bonds (distance) P-C4' energy: -146.410 flat angles C4'-P-C4' energy: -152.476 flat angles P-C4'-P energy: -100.499 tors. eta vs tors. theta energy: -208.139 Dist. restrs. and SS energy: 0.000 (S_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: 158 Temperature: 1.150000 Total energy: -2484.036424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.036424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.036424 (E_RNA) where: Base-Base interactions energy: -1752.352 where: short stacking energy: -700.797 Base-Backbone interact. energy: -1.234 local terms energy: -730.450221 where: bonds (distance) C4'-P energy: -112.705 bonds (distance) P-C4' energy: -144.162 flat angles C4'-P-C4' energy: -166.290 flat angles P-C4'-P energy: -95.631 tors. eta vs tors. theta energy: -211.662 Dist. restrs. and SS energy: 0.000 (S_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: 158 Temperature: 1.200000 Total energy: -2431.719572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.719572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.719572 (E_RNA) where: Base-Base interactions energy: -1709.696 where: short stacking energy: -688.908 Base-Backbone interact. energy: -2.664 local terms energy: -719.359456 where: bonds (distance) C4'-P energy: -112.137 bonds (distance) P-C4' energy: -130.385 flat angles C4'-P-C4' energy: -157.670 flat angles P-C4'-P energy: -110.100 tors. eta vs tors. theta energy: -209.068 Dist. restrs. and SS energy: 0.000 (S_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: 158 Temperature: 1.250000 Total energy: -2323.555686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.555686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.555686 (E_RNA) where: Base-Base interactions energy: -1638.848 where: short stacking energy: -649.800 Base-Backbone interact. energy: -2.987 local terms energy: -681.720074 where: bonds (distance) C4'-P energy: -116.940 bonds (distance) P-C4' energy: -129.456 flat angles C4'-P-C4' energy: -142.938 flat angles P-C4'-P energy: -102.837 tors. eta vs tors. theta energy: -189.549 Dist. restrs. and SS energy: 0.000 (S_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: 158 Temperature: 1.300000 Total energy: -2222.104241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.104241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.104241 (E_RNA) where: Base-Base interactions energy: -1547.689 where: short stacking energy: -645.416 Base-Backbone interact. energy: -1.376 local terms energy: -673.039506 where: bonds (distance) C4'-P energy: -116.173 bonds (distance) P-C4' energy: -125.675 flat angles C4'-P-C4' energy: -145.234 flat angles P-C4'-P energy: -94.354 tors. eta vs tors. theta energy: -191.604 Dist. restrs. and SS energy: 0.000 (S_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: 158 Temperature: 1.350000 Total energy: -1955.239514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.239514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.239514 (E_RNA) where: Base-Base interactions energy: -1346.260 where: short stacking energy: -558.774 Base-Backbone interact. energy: -0.532 local terms energy: -608.447471 where: bonds (distance) C4'-P energy: -95.667 bonds (distance) P-C4' energy: -127.516 flat angles C4'-P-C4' energy: -137.973 flat angles P-C4'-P energy: -88.196 tors. eta vs tors. theta energy: -159.096 Dist. restrs. and SS energy: 0.000 (S_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: 159 Temperature: 0.900000 Total energy: -2708.617430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.617430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.617430 (E_RNA) where: Base-Base interactions energy: -1932.290 where: short stacking energy: -772.773 Base-Backbone interact. energy: -2.585 local terms energy: -773.742462 where: bonds (distance) C4'-P energy: -122.837 bonds (distance) P-C4' energy: -155.629 flat angles C4'-P-C4' energy: -156.120 flat angles P-C4'-P energy: -109.065 tors. eta vs tors. theta energy: -230.092 Dist. restrs. and SS energy: 0.000 (S_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: -2676.705633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.705633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.705633 (E_RNA) where: Base-Base interactions energy: -1912.071 where: short stacking energy: -749.251 Base-Backbone interact. energy: -1.027 local terms energy: -763.607987 where: bonds (distance) C4'-P energy: -123.000 bonds (distance) P-C4' energy: -154.544 flat angles C4'-P-C4' energy: -154.315 flat angles P-C4'-P energy: -109.037 tors. eta vs tors. theta energy: -222.713 Dist. restrs. and SS energy: 0.000 (S_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: 159 Temperature: 1.000000 Total energy: -2665.101404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.101404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.101404 (E_RNA) where: Base-Base interactions energy: -1901.940 where: short stacking energy: -775.531 Base-Backbone interact. energy: -0.126 local terms energy: -763.036142 where: bonds (distance) C4'-P energy: -117.415 bonds (distance) P-C4' energy: -145.190 flat angles C4'-P-C4' energy: -159.918 flat angles P-C4'-P energy: -113.613 tors. eta vs tors. theta energy: -226.900 Dist. restrs. and SS energy: 0.000 (S_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: 159 Temperature: 1.050000 Total energy: -2616.146100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.146100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.146100 (E_RNA) where: Base-Base interactions energy: -1853.263 where: short stacking energy: -743.317 Base-Backbone interact. energy: -3.013 local terms energy: -759.870485 where: bonds (distance) C4'-P energy: -122.040 bonds (distance) P-C4' energy: -143.203 flat angles C4'-P-C4' energy: -161.114 flat angles P-C4'-P energy: -111.437 tors. eta vs tors. theta energy: -222.076 Dist. restrs. and SS energy: 0.000 (S_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: 159 Temperature: 1.100000 Total energy: -2518.165275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.165275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.165275 (E_RNA) where: Base-Base interactions energy: -1806.647 where: short stacking energy: -716.140 Base-Backbone interact. energy: -2.149 local terms energy: -709.369341 where: bonds (distance) C4'-P energy: -97.410 bonds (distance) P-C4' energy: -133.779 flat angles C4'-P-C4' energy: -145.575 flat angles P-C4'-P energy: -115.073 tors. eta vs tors. theta energy: -217.533 Dist. restrs. and SS energy: 0.000 (S_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: -2470.630777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.630777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.630777 (E_RNA) where: Base-Base interactions energy: -1761.105 where: short stacking energy: -707.627 Base-Backbone interact. energy: -0.985 local terms energy: -708.541444 where: bonds (distance) C4'-P energy: -102.021 bonds (distance) P-C4' energy: -141.651 flat angles C4'-P-C4' energy: -154.157 flat angles P-C4'-P energy: -93.176 tors. eta vs tors. theta energy: -217.537 Dist. restrs. and SS energy: 0.000 (S_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: -2407.226058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.226058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.226058 (E_RNA) where: Base-Base interactions energy: -1707.784 where: short stacking energy: -681.474 Base-Backbone interact. energy: -2.030 local terms energy: -697.412234 where: bonds (distance) C4'-P energy: -103.357 bonds (distance) P-C4' energy: -142.368 flat angles C4'-P-C4' energy: -145.098 flat angles P-C4'-P energy: -110.577 tors. eta vs tors. theta energy: -196.013 Dist. restrs. and SS energy: 0.000 (S_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: 159 Temperature: 1.250000 Total energy: -2246.187001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.187001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.187001 (E_RNA) where: Base-Base interactions energy: -1564.599 where: short stacking energy: -618.920 Base-Backbone interact. energy: -1.764 local terms energy: -679.823933 where: bonds (distance) C4'-P energy: -122.239 bonds (distance) P-C4' energy: -140.225 flat angles C4'-P-C4' energy: -139.758 flat angles P-C4'-P energy: -100.934 tors. eta vs tors. theta energy: -176.668 Dist. restrs. and SS energy: 0.000 (S_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: 159 Temperature: 1.300000 Total energy: -2276.776716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.776716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.776716 (E_RNA) where: Base-Base interactions energy: -1590.262 where: short stacking energy: -642.593 Base-Backbone interact. energy: -0.685 local terms energy: -685.829264 where: bonds (distance) C4'-P energy: -111.919 bonds (distance) P-C4' energy: -139.948 flat angles C4'-P-C4' energy: -146.121 flat angles P-C4'-P energy: -93.311 tors. eta vs tors. theta energy: -194.529 Dist. restrs. and SS energy: 0.000 (S_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: 159 Temperature: 1.350000 Total energy: -1982.634165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.634165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.634165 (E_RNA) where: Base-Base interactions energy: -1373.683 where: short stacking energy: -569.764 Base-Backbone interact. energy: 0.475 local terms energy: -609.426898 where: bonds (distance) C4'-P energy: -95.360 bonds (distance) P-C4' energy: -126.399 flat angles C4'-P-C4' energy: -133.395 flat angles P-C4'-P energy: -88.126 tors. eta vs tors. theta energy: -166.147 Dist. restrs. and SS energy: 0.000 (S_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: 160 Temperature: 0.900000 Total energy: -2715.880911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.880911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.880911 (E_RNA) where: Base-Base interactions energy: -1926.152 where: short stacking energy: -766.903 Base-Backbone interact. energy: -0.722 local terms energy: -789.006806 where: bonds (distance) C4'-P energy: -130.332 bonds (distance) P-C4' energy: -151.182 flat angles C4'-P-C4' energy: -165.501 flat angles P-C4'-P energy: -110.859 tors. eta vs tors. theta energy: -231.133 Dist. restrs. and SS energy: 0.000 (S_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: 160 Temperature: 0.950000 Total energy: -2661.087069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.087069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.087069 (E_RNA) where: Base-Base interactions energy: -1903.809 where: short stacking energy: -745.828 Base-Backbone interact. energy: -3.159 local terms energy: -754.119397 where: bonds (distance) C4'-P energy: -121.750 bonds (distance) P-C4' energy: -156.398 flat angles C4'-P-C4' energy: -159.621 flat angles P-C4'-P energy: -99.523 tors. eta vs tors. theta energy: -216.827 Dist. restrs. and SS energy: 0.000 (S_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: 160 Temperature: 1.000000 Total energy: -2639.391389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.391389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.391389 (E_RNA) where: Base-Base interactions energy: -1880.018 where: short stacking energy: -754.385 Base-Backbone interact. energy: -1.557 local terms energy: -757.816000 where: bonds (distance) C4'-P energy: -110.478 bonds (distance) P-C4' energy: -158.604 flat angles C4'-P-C4' energy: -161.675 flat angles P-C4'-P energy: -106.025 tors. eta vs tors. theta energy: -221.033 Dist. restrs. and SS energy: 0.000 (S_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: 160 Temperature: 1.050000 Total energy: -2617.534676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.534676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.534676 (E_RNA) where: Base-Base interactions energy: -1875.418 where: short stacking energy: -745.475 Base-Backbone interact. energy: -3.440 local terms energy: -738.676267 where: bonds (distance) C4'-P energy: -110.865 bonds (distance) P-C4' energy: -138.641 flat angles C4'-P-C4' energy: -155.312 flat angles P-C4'-P energy: -108.555 tors. eta vs tors. theta energy: -225.303 Dist. restrs. and SS energy: 0.000 (S_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: 160 Temperature: 1.100000 Total energy: -2519.642397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.642397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.642397 (E_RNA) where: Base-Base interactions energy: -1781.837 where: short stacking energy: -692.761 Base-Backbone interact. energy: -1.420 local terms energy: -736.385130 where: bonds (distance) C4'-P energy: -111.606 bonds (distance) P-C4' energy: -152.509 flat angles C4'-P-C4' energy: -153.654 flat angles P-C4'-P energy: -110.662 tors. eta vs tors. theta energy: -207.955 Dist. restrs. and SS energy: 0.000 (S_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: 160 Temperature: 1.150000 Total energy: -2482.974840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.974840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.974840 (E_RNA) where: Base-Base interactions energy: -1765.927 where: short stacking energy: -709.573 Base-Backbone interact. energy: -1.827 local terms energy: -715.221131 where: bonds (distance) C4'-P energy: -114.378 bonds (distance) P-C4' energy: -136.707 flat angles C4'-P-C4' energy: -159.799 flat angles P-C4'-P energy: -96.707 tors. eta vs tors. theta energy: -207.630 Dist. restrs. and SS energy: 0.000 (S_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: 160 Temperature: 1.200000 Total energy: -2489.704759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.704759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.704759 (E_RNA) where: Base-Base interactions energy: -1771.109 where: short stacking energy: -694.552 Base-Backbone interact. energy: -1.294 local terms energy: -717.301739 where: bonds (distance) C4'-P energy: -118.697 bonds (distance) P-C4' energy: -135.858 flat angles C4'-P-C4' energy: -152.362 flat angles P-C4'-P energy: -106.042 tors. eta vs tors. theta energy: -204.343 Dist. restrs. and SS energy: 0.000 (S_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: 160 Temperature: 1.250000 Total energy: -2291.283445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.283445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.283445 (E_RNA) where: Base-Base interactions energy: -1586.481 where: short stacking energy: -659.317 Base-Backbone interact. energy: -1.072 local terms energy: -703.730468 where: bonds (distance) C4'-P energy: -120.520 bonds (distance) P-C4' energy: -139.803 flat angles C4'-P-C4' energy: -150.364 flat angles P-C4'-P energy: -100.454 tors. eta vs tors. theta energy: -192.590 Dist. restrs. and SS energy: 0.000 (S_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: 160 Temperature: 1.300000 Total energy: -2310.376539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.376539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.376539 (E_RNA) where: Base-Base interactions energy: -1644.907 where: short stacking energy: -676.990 Base-Backbone interact. energy: -0.138 local terms energy: -665.331569 where: bonds (distance) C4'-P energy: -102.134 bonds (distance) P-C4' energy: -138.634 flat angles C4'-P-C4' energy: -145.012 flat angles P-C4'-P energy: -87.991 tors. eta vs tors. theta energy: -191.561 Dist. restrs. and SS energy: 0.000 (S_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: -1952.007010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.007010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.007010 (E_RNA) where: Base-Base interactions energy: -1357.705 where: short stacking energy: -581.756 Base-Backbone interact. energy: -1.549 local terms energy: -592.752993 where: bonds (distance) C4'-P energy: -90.663 bonds (distance) P-C4' energy: -114.359 flat angles C4'-P-C4' energy: -138.704 flat angles P-C4'-P energy: -86.430 tors. eta vs tors. theta energy: -162.597 Dist. restrs. and SS energy: 0.000 (S_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: 161 Temperature: 0.900000 Total energy: -2709.897703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.897703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.897703 (E_RNA) where: Base-Base interactions energy: -1936.526 where: short stacking energy: -774.543 Base-Backbone interact. energy: -2.440 local terms energy: -770.932003 where: bonds (distance) C4'-P energy: -109.066 bonds (distance) P-C4' energy: -146.292 flat angles C4'-P-C4' energy: -164.568 flat angles P-C4'-P energy: -114.732 tors. eta vs tors. theta energy: -236.274 Dist. restrs. and SS energy: 0.000 (S_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: 161 Temperature: 0.950000 Total energy: -2676.288094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.288094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.288094 (E_RNA) where: Base-Base interactions energy: -1925.876 where: short stacking energy: -754.693 Base-Backbone interact. energy: 0.058 local terms energy: -750.469421 where: bonds (distance) C4'-P energy: -118.925 bonds (distance) P-C4' energy: -144.494 flat angles C4'-P-C4' energy: -160.611 flat angles P-C4'-P energy: -110.503 tors. eta vs tors. theta energy: -215.936 Dist. restrs. and SS energy: 0.000 (S_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: 161 Temperature: 1.000000 Total energy: -2665.741944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.741944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.741944 (E_RNA) where: Base-Base interactions energy: -1897.128 where: short stacking energy: -765.796 Base-Backbone interact. energy: -1.468 local terms energy: -767.145206 where: bonds (distance) C4'-P energy: -126.642 bonds (distance) P-C4' energy: -148.987 flat angles C4'-P-C4' energy: -158.647 flat angles P-C4'-P energy: -108.055 tors. eta vs tors. theta energy: -224.815 Dist. restrs. and SS energy: 0.000 (S_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: 161 Temperature: 1.050000 Total energy: -2614.585034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.585034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.585034 (E_RNA) where: Base-Base interactions energy: -1872.689 where: short stacking energy: -752.739 Base-Backbone interact. energy: -2.265 local terms energy: -739.630959 where: bonds (distance) C4'-P energy: -119.582 bonds (distance) P-C4' energy: -134.471 flat angles C4'-P-C4' energy: -160.890 flat angles P-C4'-P energy: -105.069 tors. eta vs tors. theta energy: -219.618 Dist. restrs. and SS energy: 0.000 (S_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: 161 Temperature: 1.100000 Total energy: -2510.994243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.994243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.994243 (E_RNA) where: Base-Base interactions energy: -1780.503 where: short stacking energy: -728.304 Base-Backbone interact. energy: -1.570 local terms energy: -728.921306 where: bonds (distance) C4'-P energy: -112.620 bonds (distance) P-C4' energy: -146.477 flat angles C4'-P-C4' energy: -152.430 flat angles P-C4'-P energy: -105.748 tors. eta vs tors. theta energy: -211.647 Dist. restrs. and SS energy: 0.000 (S_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: 161 Temperature: 1.150000 Total energy: -2485.392214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.392214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.392214 (E_RNA) where: Base-Base interactions energy: -1765.739 where: short stacking energy: -709.432 Base-Backbone interact. energy: -1.708 local terms energy: -717.946003 where: bonds (distance) C4'-P energy: -105.369 bonds (distance) P-C4' energy: -146.305 flat angles C4'-P-C4' energy: -147.448 flat angles P-C4'-P energy: -102.554 tors. eta vs tors. theta energy: -216.270 Dist. restrs. and SS energy: 0.000 (S_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: 161 Temperature: 1.200000 Total energy: -2444.973008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.973008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.973008 (E_RNA) where: Base-Base interactions energy: -1750.248 where: short stacking energy: -717.484 Base-Backbone interact. energy: 0.458 local terms energy: -695.182684 where: bonds (distance) C4'-P energy: -101.991 bonds (distance) P-C4' energy: -131.844 flat angles C4'-P-C4' energy: -146.950 flat angles P-C4'-P energy: -101.280 tors. eta vs tors. theta energy: -213.118 Dist. restrs. and SS energy: 0.000 (S_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: 161 Temperature: 1.250000 Total energy: -2362.291997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.291997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.291997 (E_RNA) where: Base-Base interactions energy: -1669.140 where: short stacking energy: -664.918 Base-Backbone interact. energy: -3.815 local terms energy: -689.337547 where: bonds (distance) C4'-P energy: -100.737 bonds (distance) P-C4' energy: -136.818 flat angles C4'-P-C4' energy: -147.689 flat angles P-C4'-P energy: -107.567 tors. eta vs tors. theta energy: -196.526 Dist. restrs. and SS energy: 0.000 (S_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: 161 Temperature: 1.300000 Total energy: -2219.394815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.394815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.394815 (E_RNA) where: Base-Base interactions energy: -1554.498 where: short stacking energy: -639.684 Base-Backbone interact. energy: -2.519 local terms energy: -662.378398 where: bonds (distance) C4'-P energy: -98.656 bonds (distance) P-C4' energy: -130.164 flat angles C4'-P-C4' energy: -159.281 flat angles P-C4'-P energy: -90.140 tors. eta vs tors. theta energy: -184.138 Dist. restrs. and SS energy: 0.000 (S_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: -2019.735207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.735207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.735207 (E_RNA) where: Base-Base interactions energy: -1396.417 where: short stacking energy: -604.789 Base-Backbone interact. energy: -0.991 local terms energy: -622.327884 where: bonds (distance) C4'-P energy: -102.726 bonds (distance) P-C4' energy: -129.645 flat angles C4'-P-C4' energy: -132.847 flat angles P-C4'-P energy: -84.130 tors. eta vs tors. theta energy: -172.980 Dist. restrs. and SS energy: 0.000 (S_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: 162 Temperature: 0.900000 Total energy: -2699.875751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.875751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.875751 (E_RNA) where: Base-Base interactions energy: -1937.877 where: short stacking energy: -763.356 Base-Backbone interact. energy: -2.896 local terms energy: -759.103048 where: bonds (distance) C4'-P energy: -108.721 bonds (distance) P-C4' energy: -159.605 flat angles C4'-P-C4' energy: -161.790 flat angles P-C4'-P energy: -105.880 tors. eta vs tors. theta energy: -223.106 Dist. restrs. and SS energy: 0.000 (S_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: 162 Temperature: 0.950000 Total energy: -2689.091004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.091004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.091004 (E_RNA) where: Base-Base interactions energy: -1916.166 where: short stacking energy: -750.115 Base-Backbone interact. energy: -3.154 local terms energy: -769.770921 where: bonds (distance) C4'-P energy: -120.608 bonds (distance) P-C4' energy: -154.200 flat angles C4'-P-C4' energy: -157.189 flat angles P-C4'-P energy: -109.425 tors. eta vs tors. theta energy: -228.349 Dist. restrs. and SS energy: 0.000 (S_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: 162 Temperature: 1.000000 Total energy: -2650.773863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.773863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.773863 (E_RNA) where: Base-Base interactions energy: -1868.263 where: short stacking energy: -756.287 Base-Backbone interact. energy: -1.413 local terms energy: -781.097654 where: bonds (distance) C4'-P energy: -125.408 bonds (distance) P-C4' energy: -155.766 flat angles C4'-P-C4' energy: -158.285 flat angles P-C4'-P energy: -114.235 tors. eta vs tors. theta energy: -227.403 Dist. restrs. and SS energy: 0.000 (S_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: 162 Temperature: 1.050000 Total energy: -2612.050071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.050071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.050071 (E_RNA) where: Base-Base interactions energy: -1874.024 where: short stacking energy: -755.332 Base-Backbone interact. energy: -1.152 local terms energy: -736.874165 where: bonds (distance) C4'-P energy: -101.404 bonds (distance) P-C4' energy: -152.661 flat angles C4'-P-C4' energy: -151.159 flat angles P-C4'-P energy: -106.685 tors. eta vs tors. theta energy: -224.965 Dist. restrs. and SS energy: 0.000 (S_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: 162 Temperature: 1.100000 Total energy: -2507.634316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.634316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.634316 (E_RNA) where: Base-Base interactions energy: -1748.734 where: short stacking energy: -705.672 Base-Backbone interact. energy: -1.558 local terms energy: -757.342275 where: bonds (distance) C4'-P energy: -111.320 bonds (distance) P-C4' energy: -155.528 flat angles C4'-P-C4' energy: -164.535 flat angles P-C4'-P energy: -112.539 tors. eta vs tors. theta energy: -213.420 Dist. restrs. and SS energy: 0.000 (S_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: 162 Temperature: 1.150000 Total energy: -2502.531597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.531597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.531597 (E_RNA) where: Base-Base interactions energy: -1769.872 where: short stacking energy: -712.371 Base-Backbone interact. energy: -0.961 local terms energy: -731.699360 where: bonds (distance) C4'-P energy: -109.721 bonds (distance) P-C4' energy: -144.784 flat angles C4'-P-C4' energy: -154.252 flat angles P-C4'-P energy: -110.139 tors. eta vs tors. theta energy: -212.804 Dist. restrs. and SS energy: 0.000 (S_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: 162 Temperature: 1.200000 Total energy: -2440.546462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.546462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.546462 (E_RNA) where: Base-Base interactions energy: -1736.298 where: short stacking energy: -714.691 Base-Backbone interact. energy: -2.188 local terms energy: -702.060888 where: bonds (distance) C4'-P energy: -98.869 bonds (distance) P-C4' energy: -137.619 flat angles C4'-P-C4' energy: -147.297 flat angles P-C4'-P energy: -101.026 tors. eta vs tors. theta energy: -217.249 Dist. restrs. and SS energy: 0.000 (S_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: -2361.831022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.831022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.831022 (E_RNA) where: Base-Base interactions energy: -1658.469 where: short stacking energy: -682.274 Base-Backbone interact. energy: -1.514 local terms energy: -701.848301 where: bonds (distance) C4'-P energy: -104.202 bonds (distance) P-C4' energy: -144.190 flat angles C4'-P-C4' energy: -150.995 flat angles P-C4'-P energy: -99.305 tors. eta vs tors. theta energy: -203.155 Dist. restrs. and SS energy: 0.000 (S_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: 162 Temperature: 1.300000 Total energy: -2206.909588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.909588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.909588 (E_RNA) where: Base-Base interactions energy: -1553.209 where: short stacking energy: -648.257 Base-Backbone interact. energy: -1.985 local terms energy: -651.715626 where: bonds (distance) C4'-P energy: -101.037 bonds (distance) P-C4' energy: -131.750 flat angles C4'-P-C4' energy: -131.617 flat angles P-C4'-P energy: -93.603 tors. eta vs tors. theta energy: -193.708 Dist. restrs. and SS energy: 0.000 (S_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: 162 Temperature: 1.350000 Total energy: -2014.792473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.792473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.792473 (E_RNA) where: Base-Base interactions energy: -1372.979 where: short stacking energy: -559.821 Base-Backbone interact. energy: -2.080 local terms energy: -639.733167 where: bonds (distance) C4'-P energy: -106.265 bonds (distance) P-C4' energy: -141.725 flat angles C4'-P-C4' energy: -138.287 flat angles P-C4'-P energy: -97.857 tors. eta vs tors. theta energy: -155.598 Dist. restrs. and SS energy: 0.000 (S_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: 163 Temperature: 0.900000 Total energy: -2719.972758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.972758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.972758 (E_RNA) where: Base-Base interactions energy: -1934.500 where: short stacking energy: -752.206 Base-Backbone interact. energy: -0.628 local terms energy: -784.844565 where: bonds (distance) C4'-P energy: -130.885 bonds (distance) P-C4' energy: -159.840 flat angles C4'-P-C4' energy: -160.603 flat angles P-C4'-P energy: -114.109 tors. eta vs tors. theta energy: -219.408 Dist. restrs. and SS energy: 0.000 (S_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: 163 Temperature: 0.950000 Total energy: -2707.138307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.138307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.138307 (E_RNA) where: Base-Base interactions energy: -1942.219 where: short stacking energy: -758.366 Base-Backbone interact. energy: -2.756 local terms energy: -762.163511 where: bonds (distance) C4'-P energy: -113.139 bonds (distance) P-C4' energy: -154.801 flat angles C4'-P-C4' energy: -153.856 flat angles P-C4'-P energy: -111.561 tors. eta vs tors. theta energy: -228.807 Dist. restrs. and SS energy: 0.000 (S_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: 163 Temperature: 1.000000 Total energy: -2650.913130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.913130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.913130 (E_RNA) where: Base-Base interactions energy: -1895.912 where: short stacking energy: -758.306 Base-Backbone interact. energy: -0.056 local terms energy: -754.945736 where: bonds (distance) C4'-P energy: -118.402 bonds (distance) P-C4' energy: -147.293 flat angles C4'-P-C4' energy: -156.882 flat angles P-C4'-P energy: -107.953 tors. eta vs tors. theta energy: -224.416 Dist. restrs. and SS energy: 0.000 (S_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: -2615.635749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.635749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.635749 (E_RNA) where: Base-Base interactions energy: -1849.761 where: short stacking energy: -762.096 Base-Backbone interact. energy: -1.649 local terms energy: -764.225516 where: bonds (distance) C4'-P energy: -113.583 bonds (distance) P-C4' energy: -157.725 flat angles C4'-P-C4' energy: -164.047 flat angles P-C4'-P energy: -103.973 tors. eta vs tors. theta energy: -224.897 Dist. restrs. and SS energy: 0.000 (S_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: -2526.568776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.568776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.568776 (E_RNA) where: Base-Base interactions energy: -1782.997 where: short stacking energy: -713.725 Base-Backbone interact. energy: -1.304 local terms energy: -742.267958 where: bonds (distance) C4'-P energy: -121.455 bonds (distance) P-C4' energy: -148.181 flat angles C4'-P-C4' energy: -154.400 flat angles P-C4'-P energy: -105.075 tors. eta vs tors. theta energy: -213.156 Dist. restrs. and SS energy: 0.000 (S_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: 163 Temperature: 1.150000 Total energy: -2485.168981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.168981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.168981 (E_RNA) where: Base-Base interactions energy: -1764.776 where: short stacking energy: -692.912 Base-Backbone interact. energy: 0.268 local terms energy: -720.660295 where: bonds (distance) C4'-P energy: -111.564 bonds (distance) P-C4' energy: -143.551 flat angles C4'-P-C4' energy: -155.233 flat angles P-C4'-P energy: -104.472 tors. eta vs tors. theta energy: -205.839 Dist. restrs. and SS energy: 0.000 (S_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: 163 Temperature: 1.200000 Total energy: -2410.298191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.298191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.298191 (E_RNA) where: Base-Base interactions energy: -1708.089 where: short stacking energy: -690.737 Base-Backbone interact. energy: -2.699 local terms energy: -699.510236 where: bonds (distance) C4'-P energy: -107.876 bonds (distance) P-C4' energy: -129.943 flat angles C4'-P-C4' energy: -150.267 flat angles P-C4'-P energy: -106.086 tors. eta vs tors. theta energy: -205.338 Dist. restrs. and SS energy: 0.000 (S_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: 163 Temperature: 1.250000 Total energy: -2396.466197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.466197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.466197 (E_RNA) where: Base-Base interactions energy: -1683.012 where: short stacking energy: -679.151 Base-Backbone interact. energy: -2.170 local terms energy: -711.284107 where: bonds (distance) C4'-P energy: -113.780 bonds (distance) P-C4' energy: -154.429 flat angles C4'-P-C4' energy: -140.951 flat angles P-C4'-P energy: -104.456 tors. eta vs tors. theta energy: -197.669 Dist. restrs. and SS energy: 0.000 (S_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: 163 Temperature: 1.300000 Total energy: -2228.069618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.069618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.069618 (E_RNA) where: Base-Base interactions energy: -1552.439 where: short stacking energy: -652.771 Base-Backbone interact. energy: -1.988 local terms energy: -673.641664 where: bonds (distance) C4'-P energy: -99.412 bonds (distance) P-C4' energy: -139.468 flat angles C4'-P-C4' energy: -134.398 flat angles P-C4'-P energy: -108.910 tors. eta vs tors. theta energy: -191.454 Dist. restrs. and SS energy: 0.000 (S_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: 163 Temperature: 1.350000 Total energy: -2035.487186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.487186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.487186 (E_RNA) where: Base-Base interactions energy: -1404.730 where: short stacking energy: -583.250 Base-Backbone interact. energy: -2.115 local terms energy: -628.641872 where: bonds (distance) C4'-P energy: -127.813 bonds (distance) P-C4' energy: -125.417 flat angles C4'-P-C4' energy: -136.340 flat angles P-C4'-P energy: -86.558 tors. eta vs tors. theta energy: -152.514 Dist. restrs. and SS energy: 0.000 (S_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: 164 Temperature: 0.900000 Total energy: -2722.391016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.391016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.391016 (E_RNA) where: Base-Base interactions energy: -1935.303 where: short stacking energy: -760.095 Base-Backbone interact. energy: -2.397 local terms energy: -784.691335 where: bonds (distance) C4'-P energy: -133.566 bonds (distance) P-C4' energy: -146.518 flat angles C4'-P-C4' energy: -165.484 flat angles P-C4'-P energy: -111.237 tors. eta vs tors. theta energy: -227.887 Dist. restrs. and SS energy: 0.000 (S_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: 164 Temperature: 0.950000 Total energy: -2683.468761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.468761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.468761 (E_RNA) where: Base-Base interactions energy: -1933.989 where: short stacking energy: -753.706 Base-Backbone interact. energy: -2.537 local terms energy: -746.942190 where: bonds (distance) C4'-P energy: -110.688 bonds (distance) P-C4' energy: -143.731 flat angles C4'-P-C4' energy: -159.922 flat angles P-C4'-P energy: -112.080 tors. eta vs tors. theta energy: -220.520 Dist. restrs. and SS energy: 0.000 (S_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: -2652.494281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.494281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.494281 (E_RNA) where: Base-Base interactions energy: -1887.411 where: short stacking energy: -745.449 Base-Backbone interact. energy: -3.572 local terms energy: -761.511698 where: bonds (distance) C4'-P energy: -120.368 bonds (distance) P-C4' energy: -155.679 flat angles C4'-P-C4' energy: -155.474 flat angles P-C4'-P energy: -103.552 tors. eta vs tors. theta energy: -226.439 Dist. restrs. and SS energy: 0.000 (S_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: 164 Temperature: 1.050000 Total energy: -2620.108674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.108674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.108674 (E_RNA) where: Base-Base interactions energy: -1864.756 where: short stacking energy: -742.115 Base-Backbone interact. energy: 2.109 local terms energy: -757.461938 where: bonds (distance) C4'-P energy: -109.074 bonds (distance) P-C4' energy: -150.068 flat angles C4'-P-C4' energy: -164.658 flat angles P-C4'-P energy: -109.053 tors. eta vs tors. theta energy: -224.610 Dist. restrs. and SS energy: 0.000 (S_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: 164 Temperature: 1.100000 Total energy: -2516.229270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.229270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.229270 (E_RNA) where: Base-Base interactions energy: -1789.324 where: short stacking energy: -733.260 Base-Backbone interact. energy: -1.455 local terms energy: -725.449819 where: bonds (distance) C4'-P energy: -108.714 bonds (distance) P-C4' energy: -133.685 flat angles C4'-P-C4' energy: -156.132 flat angles P-C4'-P energy: -107.587 tors. eta vs tors. theta energy: -219.332 Dist. restrs. and SS energy: 0.000 (S_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: -2490.999996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.999996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.999996 (E_RNA) where: Base-Base interactions energy: -1759.652 where: short stacking energy: -707.918 Base-Backbone interact. energy: -1.248 local terms energy: -730.100263 where: bonds (distance) C4'-P energy: -116.969 bonds (distance) P-C4' energy: -142.354 flat angles C4'-P-C4' energy: -159.809 flat angles P-C4'-P energy: -99.887 tors. eta vs tors. theta energy: -211.082 Dist. restrs. and SS energy: 0.000 (S_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: 164 Temperature: 1.200000 Total energy: -2402.900637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.900637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.900637 (E_RNA) where: Base-Base interactions energy: -1691.981 where: short stacking energy: -677.823 Base-Backbone interact. energy: -2.574 local terms energy: -708.345810 where: bonds (distance) C4'-P energy: -111.849 bonds (distance) P-C4' energy: -152.015 flat angles C4'-P-C4' energy: -147.427 flat angles P-C4'-P energy: -105.609 tors. eta vs tors. theta energy: -191.446 Dist. restrs. and SS energy: 0.000 (S_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: 164 Temperature: 1.250000 Total energy: -2391.028494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.028494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.028494 (E_RNA) where: Base-Base interactions energy: -1693.744 where: short stacking energy: -681.405 Base-Backbone interact. energy: 1.101 local terms energy: -698.385347 where: bonds (distance) C4'-P energy: -114.506 bonds (distance) P-C4' energy: -136.624 flat angles C4'-P-C4' energy: -145.187 flat angles P-C4'-P energy: -101.615 tors. eta vs tors. theta energy: -200.454 Dist. restrs. and SS energy: 0.000 (S_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: 164 Temperature: 1.300000 Total energy: -2190.823295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.823295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.823295 (E_RNA) where: Base-Base interactions energy: -1542.445 where: short stacking energy: -626.768 Base-Backbone interact. energy: -1.322 local terms energy: -647.057001 where: bonds (distance) C4'-P energy: -98.089 bonds (distance) P-C4' energy: -150.145 flat angles C4'-P-C4' energy: -132.126 flat angles P-C4'-P energy: -90.336 tors. eta vs tors. theta energy: -176.362 Dist. restrs. and SS energy: 0.000 (S_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: 164 Temperature: 1.350000 Total energy: -2095.247067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.247067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.247067 (E_RNA) where: Base-Base interactions energy: -1438.233 where: short stacking energy: -591.103 Base-Backbone interact. energy: -0.618 local terms energy: -656.396011 where: bonds (distance) C4'-P energy: -114.315 bonds (distance) P-C4' energy: -139.654 flat angles C4'-P-C4' energy: -138.170 flat angles P-C4'-P energy: -88.215 tors. eta vs tors. theta energy: -176.043 Dist. restrs. and SS energy: 0.000 (S_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: 165 Temperature: 0.900000 Total energy: -2711.036926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.036926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.036926 (E_RNA) where: Base-Base interactions energy: -1936.004 where: short stacking energy: -761.275 Base-Backbone interact. energy: -1.241 local terms energy: -773.791297 where: bonds (distance) C4'-P energy: -114.762 bonds (distance) P-C4' energy: -154.748 flat angles C4'-P-C4' energy: -159.356 flat angles P-C4'-P energy: -112.182 tors. eta vs tors. theta energy: -232.743 Dist. restrs. and SS energy: 0.000 (S_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: -2675.839606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.839606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.839606 (E_RNA) where: Base-Base interactions energy: -1903.950 where: short stacking energy: -744.842 Base-Backbone interact. energy: -1.762 local terms energy: -770.127027 where: bonds (distance) C4'-P energy: -120.575 bonds (distance) P-C4' energy: -153.736 flat angles C4'-P-C4' energy: -163.442 flat angles P-C4'-P energy: -108.187 tors. eta vs tors. theta energy: -224.187 Dist. restrs. and SS energy: 0.000 (S_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: 165 Temperature: 1.000000 Total energy: -2658.460644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.460644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.460644 (E_RNA) where: Base-Base interactions energy: -1897.561 where: short stacking energy: -749.862 Base-Backbone interact. energy: -1.879 local terms energy: -759.020539 where: bonds (distance) C4'-P energy: -115.530 bonds (distance) P-C4' energy: -148.754 flat angles C4'-P-C4' energy: -156.997 flat angles P-C4'-P energy: -113.873 tors. eta vs tors. theta energy: -223.866 Dist. restrs. and SS energy: 0.000 (S_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: 165 Temperature: 1.050000 Total energy: -2620.069912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.069912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.069912 (E_RNA) where: Base-Base interactions energy: -1881.340 where: short stacking energy: -746.397 Base-Backbone interact. energy: -0.897 local terms energy: -737.833515 where: bonds (distance) C4'-P energy: -110.648 bonds (distance) P-C4' energy: -151.844 flat angles C4'-P-C4' energy: -152.784 flat angles P-C4'-P energy: -99.563 tors. eta vs tors. theta energy: -222.994 Dist. restrs. and SS energy: 0.000 (S_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: 165 Temperature: 1.100000 Total energy: -2542.042538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.042538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.042538 (E_RNA) where: Base-Base interactions energy: -1788.729 where: short stacking energy: -722.749 Base-Backbone interact. energy: -1.372 local terms energy: -751.941365 where: bonds (distance) C4'-P energy: -109.244 bonds (distance) P-C4' energy: -137.223 flat angles C4'-P-C4' energy: -162.590 flat angles P-C4'-P energy: -116.319 tors. eta vs tors. theta energy: -226.566 Dist. restrs. and SS energy: 0.000 (S_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: 165 Temperature: 1.150000 Total energy: -2481.429970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.429970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.429970 (E_RNA) where: Base-Base interactions energy: -1766.580 where: short stacking energy: -700.026 Base-Backbone interact. energy: -0.356 local terms energy: -714.493609 where: bonds (distance) C4'-P energy: -116.772 bonds (distance) P-C4' energy: -134.868 flat angles C4'-P-C4' energy: -154.753 flat angles P-C4'-P energy: -95.418 tors. eta vs tors. theta energy: -212.682 Dist. restrs. and SS energy: 0.000 (S_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: 165 Temperature: 1.200000 Total energy: -2403.807695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.807695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.807695 (E_RNA) where: Base-Base interactions energy: -1707.867 where: short stacking energy: -674.421 Base-Backbone interact. energy: -1.411 local terms energy: -694.530313 where: bonds (distance) C4'-P energy: -116.189 bonds (distance) P-C4' energy: -129.820 flat angles C4'-P-C4' energy: -153.234 flat angles P-C4'-P energy: -93.593 tors. eta vs tors. theta energy: -201.695 Dist. restrs. and SS energy: 0.000 (S_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: -2423.816437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.816437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.816437 (E_RNA) where: Base-Base interactions energy: -1717.827 where: short stacking energy: -687.706 Base-Backbone interact. energy: -3.605 local terms energy: -702.384310 where: bonds (distance) C4'-P energy: -105.321 bonds (distance) P-C4' energy: -146.768 flat angles C4'-P-C4' energy: -154.558 flat angles P-C4'-P energy: -92.943 tors. eta vs tors. theta energy: -202.794 Dist. restrs. and SS energy: 0.000 (S_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: -2204.668934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.668934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.668934 (E_RNA) where: Base-Base interactions energy: -1536.286 where: short stacking energy: -625.802 Base-Backbone interact. energy: -0.858 local terms energy: -667.525361 where: bonds (distance) C4'-P energy: -111.821 bonds (distance) P-C4' energy: -145.252 flat angles C4'-P-C4' energy: -139.371 flat angles P-C4'-P energy: -96.298 tors. eta vs tors. theta energy: -174.783 Dist. restrs. and SS energy: 0.000 (S_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: 165 Temperature: 1.350000 Total energy: -2063.309222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.309222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.309222 (E_RNA) where: Base-Base interactions energy: -1436.273 where: short stacking energy: -580.920 Base-Backbone interact. energy: 1.356 local terms energy: -628.392201 where: bonds (distance) C4'-P energy: -102.354 bonds (distance) P-C4' energy: -136.807 flat angles C4'-P-C4' energy: -137.489 flat angles P-C4'-P energy: -84.998 tors. eta vs tors. theta energy: -166.745 Dist. restrs. and SS energy: 0.000 (S_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: 166 Temperature: 0.900000 Total energy: -2713.669541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.669541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.669541 (E_RNA) where: Base-Base interactions energy: -1940.316 where: short stacking energy: -772.139 Base-Backbone interact. energy: -2.201 local terms energy: -771.151985 where: bonds (distance) C4'-P energy: -119.488 bonds (distance) P-C4' energy: -149.847 flat angles C4'-P-C4' energy: -161.181 flat angles P-C4'-P energy: -107.839 tors. eta vs tors. theta energy: -232.797 Dist. restrs. and SS energy: 0.000 (S_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: 166 Temperature: 0.950000 Total energy: -2706.024945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.024945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.024945 (E_RNA) where: Base-Base interactions energy: -1927.782 where: short stacking energy: -768.692 Base-Backbone interact. energy: -4.363 local terms energy: -773.879560 where: bonds (distance) C4'-P energy: -124.795 bonds (distance) P-C4' energy: -154.186 flat angles C4'-P-C4' energy: -153.797 flat angles P-C4'-P energy: -110.199 tors. eta vs tors. theta energy: -230.903 Dist. restrs. and SS energy: 0.000 (S_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: 166 Temperature: 1.000000 Total energy: -2657.708319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.708319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.708319 (E_RNA) where: Base-Base interactions energy: -1886.041 where: short stacking energy: -743.699 Base-Backbone interact. energy: -1.917 local terms energy: -769.750289 where: bonds (distance) C4'-P energy: -121.030 bonds (distance) P-C4' energy: -153.929 flat angles C4'-P-C4' energy: -160.882 flat angles P-C4'-P energy: -111.652 tors. eta vs tors. theta energy: -222.257 Dist. restrs. and SS energy: 0.000 (S_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: 166 Temperature: 1.050000 Total energy: -2622.410870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.410870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.410870 (E_RNA) where: Base-Base interactions energy: -1873.948 where: short stacking energy: -733.288 Base-Backbone interact. energy: -2.494 local terms energy: -745.969114 where: bonds (distance) C4'-P energy: -106.715 bonds (distance) P-C4' energy: -154.097 flat angles C4'-P-C4' energy: -156.138 flat angles P-C4'-P energy: -114.264 tors. eta vs tors. theta energy: -214.755 Dist. restrs. and SS energy: 0.000 (S_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: 166 Temperature: 1.100000 Total energy: -2551.874176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.874176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.874176 (E_RNA) where: Base-Base interactions energy: -1808.851 where: short stacking energy: -759.397 Base-Backbone interact. energy: -2.128 local terms energy: -740.895531 where: bonds (distance) C4'-P energy: -116.947 bonds (distance) P-C4' energy: -146.237 flat angles C4'-P-C4' energy: -157.181 flat angles P-C4'-P energy: -98.071 tors. eta vs tors. theta energy: -222.460 Dist. restrs. and SS energy: 0.000 (S_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: 166 Temperature: 1.150000 Total energy: -2439.691918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.691918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.691918 (E_RNA) where: Base-Base interactions energy: -1751.410 where: short stacking energy: -700.233 Base-Backbone interact. energy: -0.398 local terms energy: -687.884448 where: bonds (distance) C4'-P energy: -100.237 bonds (distance) P-C4' energy: -137.547 flat angles C4'-P-C4' energy: -151.461 flat angles P-C4'-P energy: -93.472 tors. eta vs tors. theta energy: -205.168 Dist. restrs. and SS energy: 0.000 (S_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: -2435.779260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.779260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.779260 (E_RNA) where: Base-Base interactions energy: -1719.796 where: short stacking energy: -687.450 Base-Backbone interact. energy: -0.702 local terms energy: -715.281196 where: bonds (distance) C4'-P energy: -108.728 bonds (distance) P-C4' energy: -139.032 flat angles C4'-P-C4' energy: -148.263 flat angles P-C4'-P energy: -103.094 tors. eta vs tors. theta energy: -216.165 Dist. restrs. and SS energy: 0.000 (S_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: 166 Temperature: 1.250000 Total energy: -2335.111144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.111144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.111144 (E_RNA) where: Base-Base interactions energy: -1672.383 where: short stacking energy: -659.464 Base-Backbone interact. energy: -1.935 local terms energy: -660.793158 where: bonds (distance) C4'-P energy: -104.087 bonds (distance) P-C4' energy: -130.097 flat angles C4'-P-C4' energy: -137.629 flat angles P-C4'-P energy: -95.819 tors. eta vs tors. theta energy: -193.160 Dist. restrs. and SS energy: 0.000 (S_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: 166 Temperature: 1.300000 Total energy: -2253.691770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.691770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.691770 (E_RNA) where: Base-Base interactions energy: -1596.799 where: short stacking energy: -643.337 Base-Backbone interact. energy: -0.972 local terms energy: -655.920424 where: bonds (distance) C4'-P energy: -102.381 bonds (distance) P-C4' energy: -136.635 flat angles C4'-P-C4' energy: -145.331 flat angles P-C4'-P energy: -86.745 tors. eta vs tors. theta energy: -184.829 Dist. restrs. and SS energy: 0.000 (S_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: 166 Temperature: 1.350000 Total energy: -2046.047501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.047501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.047501 (E_RNA) where: Base-Base interactions energy: -1418.049 where: short stacking energy: -585.149 Base-Backbone interact. energy: 1.995 local terms energy: -629.993598 where: bonds (distance) C4'-P energy: -108.645 bonds (distance) P-C4' energy: -131.346 flat angles C4'-P-C4' energy: -144.679 flat angles P-C4'-P energy: -83.764 tors. eta vs tors. theta energy: -161.559 Dist. restrs. and SS energy: 0.000 (S_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: 167 Temperature: 0.900000 Total energy: -2728.760866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.760866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.760866 (E_RNA) where: Base-Base interactions energy: -1944.009 where: short stacking energy: -768.565 Base-Backbone interact. energy: -2.795 local terms energy: -781.956898 where: bonds (distance) C4'-P energy: -121.587 bonds (distance) P-C4' energy: -159.464 flat angles C4'-P-C4' energy: -153.373 flat angles P-C4'-P energy: -114.894 tors. eta vs tors. theta energy: -232.639 Dist. restrs. and SS energy: 0.000 (S_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: 167 Temperature: 0.950000 Total energy: -2669.874677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.874677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.874677 (E_RNA) where: Base-Base interactions energy: -1896.532 where: short stacking energy: -755.457 Base-Backbone interact. energy: 0.054 local terms energy: -773.396690 where: bonds (distance) C4'-P energy: -123.285 bonds (distance) P-C4' energy: -145.095 flat angles C4'-P-C4' energy: -162.672 flat angles P-C4'-P energy: -112.780 tors. eta vs tors. theta energy: -229.564 Dist. restrs. and SS energy: 0.000 (S_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: 167 Temperature: 1.000000 Total energy: -2628.677273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.677273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.677273 (E_RNA) where: Base-Base interactions energy: -1885.417 where: short stacking energy: -762.044 Base-Backbone interact. energy: -2.306 local terms energy: -740.954162 where: bonds (distance) C4'-P energy: -109.657 bonds (distance) P-C4' energy: -145.326 flat angles C4'-P-C4' energy: -154.990 flat angles P-C4'-P energy: -102.068 tors. eta vs tors. theta energy: -228.913 Dist. restrs. and SS energy: 0.000 (S_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: 167 Temperature: 1.050000 Total energy: -2595.887054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.887054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.887054 (E_RNA) where: Base-Base interactions energy: -1824.289 where: short stacking energy: -735.702 Base-Backbone interact. energy: -1.077 local terms energy: -770.521010 where: bonds (distance) C4'-P energy: -122.985 bonds (distance) P-C4' energy: -157.961 flat angles C4'-P-C4' energy: -155.062 flat angles P-C4'-P energy: -112.646 tors. eta vs tors. theta energy: -221.868 Dist. restrs. and SS energy: 0.000 (S_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: 167 Temperature: 1.100000 Total energy: -2526.431675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.431675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.431675 (E_RNA) where: Base-Base interactions energy: -1782.387 where: short stacking energy: -727.756 Base-Backbone interact. energy: -2.456 local terms energy: -741.587972 where: bonds (distance) C4'-P energy: -111.710 bonds (distance) P-C4' energy: -135.886 flat angles C4'-P-C4' energy: -155.145 flat angles P-C4'-P energy: -113.638 tors. eta vs tors. theta energy: -225.210 Dist. restrs. and SS energy: 0.000 (S_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: 167 Temperature: 1.150000 Total energy: -2452.643563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.643563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.643563 (E_RNA) where: Base-Base interactions energy: -1744.599 where: short stacking energy: -704.701 Base-Backbone interact. energy: -1.430 local terms energy: -706.614569 where: bonds (distance) C4'-P energy: -123.893 bonds (distance) P-C4' energy: -134.212 flat angles C4'-P-C4' energy: -144.750 flat angles P-C4'-P energy: -91.925 tors. eta vs tors. theta energy: -211.835 Dist. restrs. and SS energy: 0.000 (S_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: 167 Temperature: 1.200000 Total energy: -2399.431505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.431505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.431505 (E_RNA) where: Base-Base interactions energy: -1680.441 where: short stacking energy: -689.054 Base-Backbone interact. energy: -1.562 local terms energy: -717.427939 where: bonds (distance) C4'-P energy: -116.746 bonds (distance) P-C4' energy: -132.000 flat angles C4'-P-C4' energy: -158.646 flat angles P-C4'-P energy: -102.133 tors. eta vs tors. theta energy: -207.904 Dist. restrs. and SS energy: 0.000 (S_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: 167 Temperature: 1.250000 Total energy: -2259.964934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.964934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.964934 (E_RNA) where: Base-Base interactions energy: -1601.748 where: short stacking energy: -650.498 Base-Backbone interact. energy: -1.246 local terms energy: -656.971261 where: bonds (distance) C4'-P energy: -100.003 bonds (distance) P-C4' energy: -140.945 flat angles C4'-P-C4' energy: -127.111 flat angles P-C4'-P energy: -101.924 tors. eta vs tors. theta energy: -186.989 Dist. restrs. and SS energy: 0.000 (S_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: 167 Temperature: 1.300000 Total energy: -2321.964259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.964259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.964259 (E_RNA) where: Base-Base interactions energy: -1647.591 where: short stacking energy: -677.947 Base-Backbone interact. energy: -1.531 local terms energy: -672.842087 where: bonds (distance) C4'-P energy: -108.653 bonds (distance) P-C4' energy: -130.700 flat angles C4'-P-C4' energy: -136.144 flat angles P-C4'-P energy: -96.292 tors. eta vs tors. theta energy: -201.053 Dist. restrs. and SS energy: 0.000 (S_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: 167 Temperature: 1.350000 Total energy: -2039.571240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.571240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.571240 (E_RNA) where: Base-Base interactions energy: -1407.934 where: short stacking energy: -576.587 Base-Backbone interact. energy: -2.812 local terms energy: -628.824712 where: bonds (distance) C4'-P energy: -92.910 bonds (distance) P-C4' energy: -136.142 flat angles C4'-P-C4' energy: -139.243 flat angles P-C4'-P energy: -94.137 tors. eta vs tors. theta energy: -166.393 Dist. restrs. and SS energy: 0.000 (S_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: 168 Temperature: 0.900000 Total energy: -2708.031456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.031456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.031456 (E_RNA) where: Base-Base interactions energy: -1924.884 where: short stacking energy: -762.137 Base-Backbone interact. energy: -3.072 local terms energy: -780.074809 where: bonds (distance) C4'-P energy: -121.240 bonds (distance) P-C4' energy: -152.336 flat angles C4'-P-C4' energy: -166.072 flat angles P-C4'-P energy: -114.647 tors. eta vs tors. theta energy: -225.779 Dist. restrs. and SS energy: 0.000 (S_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: 168 Temperature: 0.950000 Total energy: -2683.783937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.783937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.783937 (E_RNA) where: Base-Base interactions energy: -1898.170 where: short stacking energy: -758.034 Base-Backbone interact. energy: -3.216 local terms energy: -782.398478 where: bonds (distance) C4'-P energy: -118.598 bonds (distance) P-C4' energy: -155.142 flat angles C4'-P-C4' energy: -161.711 flat angles P-C4'-P energy: -116.729 tors. eta vs tors. theta energy: -230.218 Dist. restrs. and SS energy: 0.000 (S_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: 168 Temperature: 1.000000 Total energy: -2617.995820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.995820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.995820 (E_RNA) where: Base-Base interactions energy: -1869.414 where: short stacking energy: -753.037 Base-Backbone interact. energy: -3.101 local terms energy: -745.481233 where: bonds (distance) C4'-P energy: -114.098 bonds (distance) P-C4' energy: -148.804 flat angles C4'-P-C4' energy: -148.700 flat angles P-C4'-P energy: -109.961 tors. eta vs tors. theta energy: -223.918 Dist. restrs. and SS energy: 0.000 (S_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: 168 Temperature: 1.050000 Total energy: -2592.847327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.847327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.847327 (E_RNA) where: Base-Base interactions energy: -1820.925 where: short stacking energy: -719.704 Base-Backbone interact. energy: -2.247 local terms energy: -769.674633 where: bonds (distance) C4'-P energy: -130.145 bonds (distance) P-C4' energy: -147.318 flat angles C4'-P-C4' energy: -165.032 flat angles P-C4'-P energy: -105.653 tors. eta vs tors. theta energy: -221.527 Dist. restrs. and SS energy: 0.000 (S_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: 168 Temperature: 1.100000 Total energy: -2540.670361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.670361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.670361 (E_RNA) where: Base-Base interactions energy: -1795.944 where: short stacking energy: -737.790 Base-Backbone interact. energy: -1.796 local terms energy: -742.930506 where: bonds (distance) C4'-P energy: -108.639 bonds (distance) P-C4' energy: -150.824 flat angles C4'-P-C4' energy: -155.856 flat angles P-C4'-P energy: -106.255 tors. eta vs tors. theta energy: -221.356 Dist. restrs. and SS energy: 0.000 (S_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: 168 Temperature: 1.150000 Total energy: -2420.195155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.195155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.195155 (E_RNA) where: Base-Base interactions energy: -1723.942 where: short stacking energy: -708.234 Base-Backbone interact. energy: -1.061 local terms energy: -695.192171 where: bonds (distance) C4'-P energy: -111.890 bonds (distance) P-C4' energy: -136.297 flat angles C4'-P-C4' energy: -157.234 flat angles P-C4'-P energy: -85.632 tors. eta vs tors. theta energy: -204.140 Dist. restrs. and SS energy: 0.000 (S_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: 168 Temperature: 1.200000 Total energy: -2415.122373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.122373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.122373 (E_RNA) where: Base-Base interactions energy: -1718.287 where: short stacking energy: -688.483 Base-Backbone interact. energy: -2.632 local terms energy: -694.203201 where: bonds (distance) C4'-P energy: -97.777 bonds (distance) P-C4' energy: -145.305 flat angles C4'-P-C4' energy: -142.573 flat angles P-C4'-P energy: -103.133 tors. eta vs tors. theta energy: -205.414 Dist. restrs. and SS energy: 0.000 (S_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: 168 Temperature: 1.250000 Total energy: -2260.427338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.427338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.427338 (E_RNA) where: Base-Base interactions energy: -1599.073 where: short stacking energy: -636.387 Base-Backbone interact. energy: 2.877 local terms energy: -664.231407 where: bonds (distance) C4'-P energy: -99.961 bonds (distance) P-C4' energy: -143.850 flat angles C4'-P-C4' energy: -127.963 flat angles P-C4'-P energy: -99.271 tors. eta vs tors. theta energy: -193.187 Dist. restrs. and SS energy: 0.000 (S_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: 168 Temperature: 1.300000 Total energy: -2283.649120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.649120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.649120 (E_RNA) where: Base-Base interactions energy: -1611.722 where: short stacking energy: -635.749 Base-Backbone interact. energy: -0.650 local terms energy: -671.277563 where: bonds (distance) C4'-P energy: -111.080 bonds (distance) P-C4' energy: -132.952 flat angles C4'-P-C4' energy: -138.756 flat angles P-C4'-P energy: -95.969 tors. eta vs tors. theta energy: -192.521 Dist. restrs. and SS energy: 0.000 (S_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: 168 Temperature: 1.350000 Total energy: -2033.227865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.227865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.227865 (E_RNA) where: Base-Base interactions energy: -1407.626 where: short stacking energy: -575.262 Base-Backbone interact. energy: -2.545 local terms energy: -623.056842 where: bonds (distance) C4'-P energy: -97.134 bonds (distance) P-C4' energy: -134.903 flat angles C4'-P-C4' energy: -142.760 flat angles P-C4'-P energy: -95.811 tors. eta vs tors. theta energy: -152.449 Dist. restrs. and SS energy: 0.000 (S_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: 169 Temperature: 0.900000 Total energy: -2715.010182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.010182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.010182 (E_RNA) where: Base-Base interactions energy: -1946.000 where: short stacking energy: -770.132 Base-Backbone interact. energy: -0.100 local terms energy: -768.909773 where: bonds (distance) C4'-P energy: -111.129 bonds (distance) P-C4' energy: -159.652 flat angles C4'-P-C4' energy: -160.004 flat angles P-C4'-P energy: -109.140 tors. eta vs tors. theta energy: -228.983 Dist. restrs. and SS energy: 0.000 (S_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: 169 Temperature: 0.950000 Total energy: -2680.882173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.882173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.882173 (E_RNA) where: Base-Base interactions energy: -1917.976 where: short stacking energy: -752.664 Base-Backbone interact. energy: -0.273 local terms energy: -762.633660 where: bonds (distance) C4'-P energy: -118.463 bonds (distance) P-C4' energy: -149.895 flat angles C4'-P-C4' energy: -151.579 flat angles P-C4'-P energy: -113.052 tors. eta vs tors. theta energy: -229.645 Dist. restrs. and SS energy: 0.000 (S_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: 169 Temperature: 1.000000 Total energy: -2629.845014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.845014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.845014 (E_RNA) where: Base-Base interactions energy: -1870.194 where: short stacking energy: -754.274 Base-Backbone interact. energy: -1.036 local terms energy: -758.615319 where: bonds (distance) C4'-P energy: -112.328 bonds (distance) P-C4' energy: -150.462 flat angles C4'-P-C4' energy: -162.169 flat angles P-C4'-P energy: -106.547 tors. eta vs tors. theta energy: -227.109 Dist. restrs. and SS energy: 0.000 (S_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: 169 Temperature: 1.050000 Total energy: -2586.464514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.464514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.464514 (E_RNA) where: Base-Base interactions energy: -1839.101 where: short stacking energy: -732.989 Base-Backbone interact. energy: -0.786 local terms energy: -746.577463 where: bonds (distance) C4'-P energy: -118.241 bonds (distance) P-C4' energy: -150.730 flat angles C4'-P-C4' energy: -153.873 flat angles P-C4'-P energy: -105.858 tors. eta vs tors. theta energy: -217.875 Dist. restrs. and SS energy: 0.000 (S_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: -2536.101833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.101833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.101833 (E_RNA) where: Base-Base interactions energy: -1796.965 where: short stacking energy: -734.368 Base-Backbone interact. energy: -2.116 local terms energy: -737.020704 where: bonds (distance) C4'-P energy: -109.671 bonds (distance) P-C4' energy: -141.895 flat angles C4'-P-C4' energy: -162.111 flat angles P-C4'-P energy: -99.839 tors. eta vs tors. theta energy: -223.504 Dist. restrs. and SS energy: 0.000 (S_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: 169 Temperature: 1.150000 Total energy: -2468.437635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.437635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.437635 (E_RNA) where: Base-Base interactions energy: -1756.400 where: short stacking energy: -713.263 Base-Backbone interact. energy: -1.452 local terms energy: -710.585981 where: bonds (distance) C4'-P energy: -106.796 bonds (distance) P-C4' energy: -147.089 flat angles C4'-P-C4' energy: -146.868 flat angles P-C4'-P energy: -102.690 tors. eta vs tors. theta energy: -207.142 Dist. restrs. and SS energy: 0.000 (S_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: 169 Temperature: 1.200000 Total energy: -2376.020702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.020702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.020702 (E_RNA) where: Base-Base interactions energy: -1663.849 where: short stacking energy: -660.416 Base-Backbone interact. energy: 2.377 local terms energy: -714.549184 where: bonds (distance) C4'-P energy: -116.609 bonds (distance) P-C4' energy: -139.695 flat angles C4'-P-C4' energy: -150.619 flat angles P-C4'-P energy: -103.107 tors. eta vs tors. theta energy: -204.518 Dist. restrs. and SS energy: 0.000 (S_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: 169 Temperature: 1.250000 Total energy: -2275.188380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.188380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.188380 (E_RNA) where: Base-Base interactions energy: -1592.164 where: short stacking energy: -642.849 Base-Backbone interact. energy: 0.632 local terms energy: -683.656688 where: bonds (distance) C4'-P energy: -76.974 bonds (distance) P-C4' energy: -144.261 flat angles C4'-P-C4' energy: -160.942 flat angles P-C4'-P energy: -109.300 tors. eta vs tors. theta energy: -192.180 Dist. restrs. and SS energy: 0.000 (S_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: 169 Temperature: 1.300000 Total energy: -2240.056469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.056469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.056469 (E_RNA) where: Base-Base interactions energy: -1575.135 where: short stacking energy: -637.366 Base-Backbone interact. energy: -2.488 local terms energy: -662.433779 where: bonds (distance) C4'-P energy: -111.230 bonds (distance) P-C4' energy: -131.786 flat angles C4'-P-C4' energy: -136.347 flat angles P-C4'-P energy: -100.909 tors. eta vs tors. theta energy: -182.162 Dist. restrs. and SS energy: 0.000 (S_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: 169 Temperature: 1.350000 Total energy: -1971.328855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.328855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.328855 (E_RNA) where: Base-Base interactions energy: -1359.308 where: short stacking energy: -538.567 Base-Backbone interact. energy: -0.344 local terms energy: -611.677268 where: bonds (distance) C4'-P energy: -114.116 bonds (distance) P-C4' energy: -126.074 flat angles C4'-P-C4' energy: -138.242 flat angles P-C4'-P energy: -84.857 tors. eta vs tors. theta energy: -148.388 Dist. restrs. and SS energy: 0.000 (S_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: 170 Temperature: 0.900000 Total energy: -2715.243041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.243041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.243041 (E_RNA) where: Base-Base interactions energy: -1931.669 where: short stacking energy: -771.590 Base-Backbone interact. energy: 0.775 local terms energy: -784.348211 where: bonds (distance) C4'-P energy: -113.850 bonds (distance) P-C4' energy: -166.840 flat angles C4'-P-C4' energy: -164.420 flat angles P-C4'-P energy: -113.797 tors. eta vs tors. theta energy: -225.440 Dist. restrs. and SS energy: 0.000 (S_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: -2694.985466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.985466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.985466 (E_RNA) where: Base-Base interactions energy: -1934.837 where: short stacking energy: -752.799 Base-Backbone interact. energy: -1.693 local terms energy: -758.455702 where: bonds (distance) C4'-P energy: -121.910 bonds (distance) P-C4' energy: -147.517 flat angles C4'-P-C4' energy: -154.559 flat angles P-C4'-P energy: -107.534 tors. eta vs tors. theta energy: -226.935 Dist. restrs. and SS energy: 0.000 (S_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: 170 Temperature: 1.000000 Total energy: -2628.552716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.552716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.552716 (E_RNA) where: Base-Base interactions energy: -1865.958 where: short stacking energy: -745.081 Base-Backbone interact. energy: -3.941 local terms energy: -758.653868 where: bonds (distance) C4'-P energy: -116.784 bonds (distance) P-C4' energy: -139.366 flat angles C4'-P-C4' energy: -158.042 flat angles P-C4'-P energy: -117.160 tors. eta vs tors. theta energy: -227.302 Dist. restrs. and SS energy: 0.000 (S_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: -2604.509987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.509987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.509987 (E_RNA) where: Base-Base interactions energy: -1854.966 where: short stacking energy: -733.534 Base-Backbone interact. energy: 0.257 local terms energy: -749.801108 where: bonds (distance) C4'-P energy: -118.145 bonds (distance) P-C4' energy: -152.437 flat angles C4'-P-C4' energy: -166.714 flat angles P-C4'-P energy: -98.494 tors. eta vs tors. theta energy: -214.012 Dist. restrs. and SS energy: 0.000 (S_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: 170 Temperature: 1.100000 Total energy: -2528.555820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.555820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.555820 (E_RNA) where: Base-Base interactions energy: -1800.247 where: short stacking energy: -725.765 Base-Backbone interact. energy: -1.849 local terms energy: -726.459043 where: bonds (distance) C4'-P energy: -107.403 bonds (distance) P-C4' energy: -149.578 flat angles C4'-P-C4' energy: -149.347 flat angles P-C4'-P energy: -105.991 tors. eta vs tors. theta energy: -214.141 Dist. restrs. and SS energy: 0.000 (S_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: 170 Temperature: 1.150000 Total energy: -2467.784791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.784791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.784791 (E_RNA) where: Base-Base interactions energy: -1744.043 where: short stacking energy: -684.832 Base-Backbone interact. energy: -1.763 local terms energy: -721.978864 where: bonds (distance) C4'-P energy: -114.843 bonds (distance) P-C4' energy: -149.506 flat angles C4'-P-C4' energy: -156.542 flat angles P-C4'-P energy: -97.484 tors. eta vs tors. theta energy: -203.605 Dist. restrs. and SS energy: 0.000 (S_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: 170 Temperature: 1.200000 Total energy: -2369.431374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.431374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.431374 (E_RNA) where: Base-Base interactions energy: -1670.967 where: short stacking energy: -659.052 Base-Backbone interact. energy: -1.802 local terms energy: -696.662224 where: bonds (distance) C4'-P energy: -111.886 bonds (distance) P-C4' energy: -147.006 flat angles C4'-P-C4' energy: -146.875 flat angles P-C4'-P energy: -90.840 tors. eta vs tors. theta energy: -200.055 Dist. restrs. and SS energy: 0.000 (S_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: 170 Temperature: 1.250000 Total energy: -2260.042477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.042477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.042477 (E_RNA) where: Base-Base interactions energy: -1570.962 where: short stacking energy: -649.835 Base-Backbone interact. energy: -1.612 local terms energy: -687.468974 where: bonds (distance) C4'-P energy: -100.303 bonds (distance) P-C4' energy: -150.011 flat angles C4'-P-C4' energy: -146.668 flat angles P-C4'-P energy: -97.818 tors. eta vs tors. theta energy: -192.668 Dist. restrs. and SS energy: 0.000 (S_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: 170 Temperature: 1.300000 Total energy: -2237.078698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.078698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.078698 (E_RNA) where: Base-Base interactions energy: -1549.301 where: short stacking energy: -649.600 Base-Backbone interact. energy: -1.156 local terms energy: -686.621858 where: bonds (distance) C4'-P energy: -120.238 bonds (distance) P-C4' energy: -145.327 flat angles C4'-P-C4' energy: -137.272 flat angles P-C4'-P energy: -97.848 tors. eta vs tors. theta energy: -185.936 Dist. restrs. and SS energy: 0.000 (S_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: 170 Temperature: 1.350000 Total energy: -1935.284404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.284404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.284404 (E_RNA) where: Base-Base interactions energy: -1334.914 where: short stacking energy: -545.505 Base-Backbone interact. energy: -0.800 local terms energy: -599.571057 where: bonds (distance) C4'-P energy: -105.406 bonds (distance) P-C4' energy: -119.137 flat angles C4'-P-C4' energy: -141.971 flat angles P-C4'-P energy: -85.249 tors. eta vs tors. theta energy: -147.807 Dist. restrs. and SS energy: 0.000 (S_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: 171 Temperature: 0.900000 Total energy: -2722.660318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.660318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.660318 (E_RNA) where: Base-Base interactions energy: -1931.199 where: short stacking energy: -771.871 Base-Backbone interact. energy: -1.380 local terms energy: -790.081613 where: bonds (distance) C4'-P energy: -128.599 bonds (distance) P-C4' energy: -153.909 flat angles C4'-P-C4' energy: -163.628 flat angles P-C4'-P energy: -116.181 tors. eta vs tors. theta energy: -227.764 Dist. restrs. and SS energy: 0.000 (S_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: 171 Temperature: 0.950000 Total energy: -2709.384203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.384203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.384203 (E_RNA) where: Base-Base interactions energy: -1927.743 where: short stacking energy: -764.743 Base-Backbone interact. energy: -2.580 local terms energy: -779.061399 where: bonds (distance) C4'-P energy: -122.871 bonds (distance) P-C4' energy: -157.569 flat angles C4'-P-C4' energy: -160.198 flat angles P-C4'-P energy: -111.926 tors. eta vs tors. theta energy: -226.497 Dist. restrs. and SS energy: 0.000 (S_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: 171 Temperature: 1.000000 Total energy: -2619.314177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.314177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.314177 (E_RNA) where: Base-Base interactions energy: -1865.690 where: short stacking energy: -721.937 Base-Backbone interact. energy: -0.766 local terms energy: -752.858841 where: bonds (distance) C4'-P energy: -118.011 bonds (distance) P-C4' energy: -156.568 flat angles C4'-P-C4' energy: -157.832 flat angles P-C4'-P energy: -109.619 tors. eta vs tors. theta energy: -210.828 Dist. restrs. and SS energy: 0.000 (S_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: 171 Temperature: 1.050000 Total energy: -2606.302817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.302817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.302817 (E_RNA) where: Base-Base interactions energy: -1880.125 where: short stacking energy: -730.555 Base-Backbone interact. energy: 2.099 local terms energy: -728.276411 where: bonds (distance) C4'-P energy: -112.831 bonds (distance) P-C4' energy: -136.912 flat angles C4'-P-C4' energy: -149.981 flat angles P-C4'-P energy: -109.206 tors. eta vs tors. theta energy: -219.346 Dist. restrs. and SS energy: 0.000 (S_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: 171 Temperature: 1.100000 Total energy: -2539.929001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.929001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.929001 (E_RNA) where: Base-Base interactions energy: -1821.393 where: short stacking energy: -723.746 Base-Backbone interact. energy: 0.456 local terms energy: -718.991320 where: bonds (distance) C4'-P energy: -114.779 bonds (distance) P-C4' energy: -141.229 flat angles C4'-P-C4' energy: -145.430 flat angles P-C4'-P energy: -104.363 tors. eta vs tors. theta energy: -213.190 Dist. restrs. and SS energy: 0.000 (S_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: 171 Temperature: 1.150000 Total energy: -2500.882636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.882636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.882636 (E_RNA) where: Base-Base interactions energy: -1764.939 where: short stacking energy: -714.981 Base-Backbone interact. energy: -3.024 local terms energy: -732.920123 where: bonds (distance) C4'-P energy: -110.589 bonds (distance) P-C4' energy: -152.903 flat angles C4'-P-C4' energy: -147.715 flat angles P-C4'-P energy: -109.729 tors. eta vs tors. theta energy: -211.985 Dist. restrs. and SS energy: 0.000 (S_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: 171 Temperature: 1.200000 Total energy: -2377.423489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.423489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.423489 (E_RNA) where: Base-Base interactions energy: -1662.860 where: short stacking energy: -670.165 Base-Backbone interact. energy: -2.593 local terms energy: -711.971135 where: bonds (distance) C4'-P energy: -112.740 bonds (distance) P-C4' energy: -146.252 flat angles C4'-P-C4' energy: -146.966 flat angles P-C4'-P energy: -105.793 tors. eta vs tors. theta energy: -200.220 Dist. restrs. and SS energy: 0.000 (S_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: 171 Temperature: 1.250000 Total energy: -2348.559143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.559143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.559143 (E_RNA) where: Base-Base interactions energy: -1654.812 where: short stacking energy: -665.602 Base-Backbone interact. energy: -3.616 local terms energy: -690.131717 where: bonds (distance) C4'-P energy: -120.334 bonds (distance) P-C4' energy: -131.736 flat angles C4'-P-C4' energy: -144.156 flat angles P-C4'-P energy: -92.445 tors. eta vs tors. theta energy: -201.460 Dist. restrs. and SS energy: 0.000 (S_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: 171 Temperature: 1.300000 Total energy: -2244.169664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.169664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.169664 (E_RNA) where: Base-Base interactions energy: -1584.702 where: short stacking energy: -660.930 Base-Backbone interact. energy: 2.255 local terms energy: -661.722422 where: bonds (distance) C4'-P energy: -98.113 bonds (distance) P-C4' energy: -145.083 flat angles C4'-P-C4' energy: -128.511 flat angles P-C4'-P energy: -93.888 tors. eta vs tors. theta energy: -196.128 Dist. restrs. and SS energy: 0.000 (S_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: 171 Temperature: 1.350000 Total energy: -1998.589592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.589592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.589592 (E_RNA) where: Base-Base interactions energy: -1354.041 where: short stacking energy: -560.401 Base-Backbone interact. energy: 2.353 local terms energy: -646.901039 where: bonds (distance) C4'-P energy: -112.143 bonds (distance) P-C4' energy: -135.639 flat angles C4'-P-C4' energy: -132.841 flat angles P-C4'-P energy: -96.854 tors. eta vs tors. theta energy: -169.424 Dist. restrs. and SS energy: 0.000 (S_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: 172 Temperature: 0.900000 Total energy: -2691.414693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.414693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.414693 (E_RNA) where: Base-Base interactions energy: -1900.907 where: short stacking energy: -753.335 Base-Backbone interact. energy: -2.653 local terms energy: -787.854651 where: bonds (distance) C4'-P energy: -127.658 bonds (distance) P-C4' energy: -157.897 flat angles C4'-P-C4' energy: -163.966 flat angles P-C4'-P energy: -112.454 tors. eta vs tors. theta energy: -225.880 Dist. restrs. and SS energy: 0.000 (S_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: 172 Temperature: 0.950000 Total energy: -2683.779108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.779108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.779108 (E_RNA) where: Base-Base interactions energy: -1910.458 where: short stacking energy: -762.076 Base-Backbone interact. energy: -1.270 local terms energy: -772.051276 where: bonds (distance) C4'-P energy: -122.589 bonds (distance) P-C4' energy: -141.530 flat angles C4'-P-C4' energy: -167.371 flat angles P-C4'-P energy: -110.140 tors. eta vs tors. theta energy: -230.421 Dist. restrs. and SS energy: 0.000 (S_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: 172 Temperature: 1.000000 Total energy: -2617.799668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.799668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.799668 (E_RNA) where: Base-Base interactions energy: -1876.372 where: short stacking energy: -722.326 Base-Backbone interact. energy: -0.224 local terms energy: -741.203395 where: bonds (distance) C4'-P energy: -103.500 bonds (distance) P-C4' energy: -158.577 flat angles C4'-P-C4' energy: -155.666 flat angles P-C4'-P energy: -104.460 tors. eta vs tors. theta energy: -219.000 Dist. restrs. and SS energy: 0.000 (S_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: 172 Temperature: 1.050000 Total energy: -2568.702600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.702600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.702600 (E_RNA) where: Base-Base interactions energy: -1825.752 where: short stacking energy: -722.268 Base-Backbone interact. energy: -3.183 local terms energy: -739.767558 where: bonds (distance) C4'-P energy: -115.756 bonds (distance) P-C4' energy: -151.177 flat angles C4'-P-C4' energy: -156.680 flat angles P-C4'-P energy: -101.071 tors. eta vs tors. theta energy: -215.084 Dist. restrs. and SS energy: 0.000 (S_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: 172 Temperature: 1.100000 Total energy: -2509.631293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.631293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.631293 (E_RNA) where: Base-Base interactions energy: -1782.035 where: short stacking energy: -715.430 Base-Backbone interact. energy: 0.346 local terms energy: -727.942270 where: bonds (distance) C4'-P energy: -113.925 bonds (distance) P-C4' energy: -149.790 flat angles C4'-P-C4' energy: -150.208 flat angles P-C4'-P energy: -104.401 tors. eta vs tors. theta energy: -209.618 Dist. restrs. and SS energy: 0.000 (S_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: 172 Temperature: 1.150000 Total energy: -2480.566326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.566326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.566326 (E_RNA) where: Base-Base interactions energy: -1739.374 where: short stacking energy: -701.656 Base-Backbone interact. energy: -2.190 local terms energy: -739.002142 where: bonds (distance) C4'-P energy: -114.066 bonds (distance) P-C4' energy: -154.602 flat angles C4'-P-C4' energy: -155.854 flat angles P-C4'-P energy: -98.043 tors. eta vs tors. theta energy: -216.437 Dist. restrs. and SS energy: 0.000 (S_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: 172 Temperature: 1.200000 Total energy: -2413.192994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.192994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.192994 (E_RNA) where: Base-Base interactions energy: -1695.070 where: short stacking energy: -700.968 Base-Backbone interact. energy: -1.403 local terms energy: -716.720309 where: bonds (distance) C4'-P energy: -113.365 bonds (distance) P-C4' energy: -142.885 flat angles C4'-P-C4' energy: -154.244 flat angles P-C4'-P energy: -95.104 tors. eta vs tors. theta energy: -211.122 Dist. restrs. and SS energy: 0.000 (S_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: 172 Temperature: 1.250000 Total energy: -2317.645779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.645779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.645779 (E_RNA) where: Base-Base interactions energy: -1622.873 where: short stacking energy: -665.546 Base-Backbone interact. energy: -1.500 local terms energy: -693.273539 where: bonds (distance) C4'-P energy: -113.559 bonds (distance) P-C4' energy: -136.307 flat angles C4'-P-C4' energy: -143.230 flat angles P-C4'-P energy: -107.385 tors. eta vs tors. theta energy: -192.793 Dist. restrs. and SS energy: 0.000 (S_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: 172 Temperature: 1.300000 Total energy: -2228.147164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.147164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.147164 (E_RNA) where: Base-Base interactions energy: -1556.213 where: short stacking energy: -640.021 Base-Backbone interact. energy: -1.197 local terms energy: -670.737318 where: bonds (distance) C4'-P energy: -97.215 bonds (distance) P-C4' energy: -137.291 flat angles C4'-P-C4' energy: -140.179 flat angles P-C4'-P energy: -99.350 tors. eta vs tors. theta energy: -196.702 Dist. restrs. and SS energy: 0.000 (S_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: 172 Temperature: 1.350000 Total energy: -2048.099467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.099467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.099467 (E_RNA) where: Base-Base interactions energy: -1405.104 where: short stacking energy: -573.221 Base-Backbone interact. energy: -1.856 local terms energy: -641.139648 where: bonds (distance) C4'-P energy: -100.120 bonds (distance) P-C4' energy: -140.796 flat angles C4'-P-C4' energy: -132.075 flat angles P-C4'-P energy: -100.049 tors. eta vs tors. theta energy: -168.100 Dist. restrs. and SS energy: 0.000 (S_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: 173 Temperature: 0.900000 Total energy: -2712.982312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.982312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.982312 (E_RNA) where: Base-Base interactions energy: -1935.899 where: short stacking energy: -761.947 Base-Backbone interact. energy: -1.976 local terms energy: -775.107531 where: bonds (distance) C4'-P energy: -117.522 bonds (distance) P-C4' energy: -154.703 flat angles C4'-P-C4' energy: -162.119 flat angles P-C4'-P energy: -106.350 tors. eta vs tors. theta energy: -234.414 Dist. restrs. and SS energy: 0.000 (S_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: 173 Temperature: 0.950000 Total energy: -2721.255610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.255610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.255610 (E_RNA) where: Base-Base interactions energy: -1932.064 where: short stacking energy: -774.078 Base-Backbone interact. energy: -1.296 local terms energy: -787.895225 where: bonds (distance) C4'-P energy: -127.561 bonds (distance) P-C4' energy: -155.370 flat angles C4'-P-C4' energy: -161.421 flat angles P-C4'-P energy: -111.760 tors. eta vs tors. theta energy: -231.784 Dist. restrs. and SS energy: 0.000 (S_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: 173 Temperature: 1.000000 Total energy: -2627.678593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.678593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.678593 (E_RNA) where: Base-Base interactions energy: -1874.139 where: short stacking energy: -727.266 Base-Backbone interact. energy: -3.661 local terms energy: -749.878644 where: bonds (distance) C4'-P energy: -122.648 bonds (distance) P-C4' energy: -143.281 flat angles C4'-P-C4' energy: -160.482 flat angles P-C4'-P energy: -107.164 tors. eta vs tors. theta energy: -216.304 Dist. restrs. and SS energy: 0.000 (S_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: 173 Temperature: 1.050000 Total energy: -2606.716954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.716954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.716954 (E_RNA) where: Base-Base interactions energy: -1858.015 where: short stacking energy: -740.349 Base-Backbone interact. energy: -2.170 local terms energy: -746.531725 where: bonds (distance) C4'-P energy: -110.166 bonds (distance) P-C4' energy: -143.517 flat angles C4'-P-C4' energy: -160.408 flat angles P-C4'-P energy: -101.407 tors. eta vs tors. theta energy: -231.034 Dist. restrs. and SS energy: 0.000 (S_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: 173 Temperature: 1.100000 Total energy: -2533.774468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.774468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.774468 (E_RNA) where: Base-Base interactions energy: -1789.437 where: short stacking energy: -716.801 Base-Backbone interact. energy: -1.485 local terms energy: -742.852391 where: bonds (distance) C4'-P energy: -113.238 bonds (distance) P-C4' energy: -148.663 flat angles C4'-P-C4' energy: -153.547 flat angles P-C4'-P energy: -109.074 tors. eta vs tors. theta energy: -218.331 Dist. restrs. and SS energy: 0.000 (S_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: 173 Temperature: 1.150000 Total energy: -2508.773060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.773060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.773060 (E_RNA) where: Base-Base interactions energy: -1790.986 where: short stacking energy: -717.814 Base-Backbone interact. energy: -2.167 local terms energy: -715.620162 where: bonds (distance) C4'-P energy: -108.518 bonds (distance) P-C4' energy: -131.271 flat angles C4'-P-C4' energy: -151.699 flat angles P-C4'-P energy: -106.661 tors. eta vs tors. theta energy: -217.471 Dist. restrs. and SS energy: 0.000 (S_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: 173 Temperature: 1.200000 Total energy: -2416.539112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.539112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.539112 (E_RNA) where: Base-Base interactions energy: -1730.726 where: short stacking energy: -687.428 Base-Backbone interact. energy: -0.200 local terms energy: -685.612949 where: bonds (distance) C4'-P energy: -102.346 bonds (distance) P-C4' energy: -140.074 flat angles C4'-P-C4' energy: -142.830 flat angles P-C4'-P energy: -93.665 tors. eta vs tors. theta energy: -206.698 Dist. restrs. and SS energy: 0.000 (S_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: 173 Temperature: 1.250000 Total energy: -2415.103127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.103127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.103127 (E_RNA) where: Base-Base interactions energy: -1724.530 where: short stacking energy: -694.255 Base-Backbone interact. energy: -1.141 local terms energy: -689.431775 where: bonds (distance) C4'-P energy: -112.859 bonds (distance) P-C4' energy: -138.648 flat angles C4'-P-C4' energy: -122.023 flat angles P-C4'-P energy: -107.919 tors. eta vs tors. theta energy: -207.983 Dist. restrs. and SS energy: 0.000 (S_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: 173 Temperature: 1.300000 Total energy: -2265.383691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.383691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.383691 (E_RNA) where: Base-Base interactions energy: -1598.107 where: short stacking energy: -655.261 Base-Backbone interact. energy: -1.035 local terms energy: -666.241146 where: bonds (distance) C4'-P energy: -100.428 bonds (distance) P-C4' energy: -134.855 flat angles C4'-P-C4' energy: -142.107 flat angles P-C4'-P energy: -99.641 tors. eta vs tors. theta energy: -189.209 Dist. restrs. and SS energy: 0.000 (S_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: 173 Temperature: 1.350000 Total energy: -1986.892223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.892223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.892223 (E_RNA) where: Base-Base interactions energy: -1365.340 where: short stacking energy: -571.930 Base-Backbone interact. energy: -0.557 local terms energy: -620.994916 where: bonds (distance) C4'-P energy: -95.862 bonds (distance) P-C4' energy: -123.323 flat angles C4'-P-C4' energy: -129.650 flat angles P-C4'-P energy: -109.640 tors. eta vs tors. theta energy: -162.520 Dist. restrs. and SS energy: 0.000 (S_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: 174 Temperature: 0.900000 Total energy: -2715.937917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.937917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.937917 (E_RNA) where: Base-Base interactions energy: -1942.904 where: short stacking energy: -783.305 Base-Backbone interact. energy: -2.724 local terms energy: -770.310261 where: bonds (distance) C4'-P energy: -111.942 bonds (distance) P-C4' energy: -155.528 flat angles C4'-P-C4' energy: -165.348 flat angles P-C4'-P energy: -111.500 tors. eta vs tors. theta energy: -225.992 Dist. restrs. and SS energy: 0.000 (S_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: 174 Temperature: 0.950000 Total energy: -2678.484726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.484726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.484726 (E_RNA) where: Base-Base interactions energy: -1904.820 where: short stacking energy: -755.312 Base-Backbone interact. energy: -1.217 local terms energy: -772.447457 where: bonds (distance) C4'-P energy: -117.083 bonds (distance) P-C4' energy: -151.492 flat angles C4'-P-C4' energy: -164.953 flat angles P-C4'-P energy: -112.991 tors. eta vs tors. theta energy: -225.928 Dist. restrs. and SS energy: 0.000 (S_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: 174 Temperature: 1.000000 Total energy: -2632.823295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.823295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.823295 (E_RNA) where: Base-Base interactions energy: -1882.885 where: short stacking energy: -749.455 Base-Backbone interact. energy: -2.360 local terms energy: -747.578786 where: bonds (distance) C4'-P energy: -110.520 bonds (distance) P-C4' energy: -147.962 flat angles C4'-P-C4' energy: -160.470 flat angles P-C4'-P energy: -103.103 tors. eta vs tors. theta energy: -225.523 Dist. restrs. and SS energy: 0.000 (S_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: 174 Temperature: 1.050000 Total energy: -2610.525294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.525294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.525294 (E_RNA) where: Base-Base interactions energy: -1881.699 where: short stacking energy: -742.438 Base-Backbone interact. energy: 0.033 local terms energy: -728.858875 where: bonds (distance) C4'-P energy: -107.516 bonds (distance) P-C4' energy: -145.900 flat angles C4'-P-C4' energy: -151.883 flat angles P-C4'-P energy: -101.372 tors. eta vs tors. theta energy: -222.188 Dist. restrs. and SS energy: 0.000 (S_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: 174 Temperature: 1.100000 Total energy: -2529.771844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.771844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.771844 (E_RNA) where: Base-Base interactions energy: -1770.705 where: short stacking energy: -722.949 Base-Backbone interact. energy: -1.384 local terms energy: -757.682953 where: bonds (distance) C4'-P energy: -115.531 bonds (distance) P-C4' energy: -156.006 flat angles C4'-P-C4' energy: -153.145 flat angles P-C4'-P energy: -115.510 tors. eta vs tors. theta energy: -217.491 Dist. restrs. and SS energy: 0.000 (S_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: 174 Temperature: 1.150000 Total energy: -2483.809883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.809883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.809883 (E_RNA) where: Base-Base interactions energy: -1764.068 where: short stacking energy: -720.412 Base-Backbone interact. energy: -1.507 local terms energy: -718.235460 where: bonds (distance) C4'-P energy: -104.974 bonds (distance) P-C4' energy: -147.195 flat angles C4'-P-C4' energy: -151.486 flat angles P-C4'-P energy: -103.087 tors. eta vs tors. theta energy: -211.493 Dist. restrs. and SS energy: 0.000 (S_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: 174 Temperature: 1.200000 Total energy: -2403.973936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.973936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.973936 (E_RNA) where: Base-Base interactions energy: -1697.894 where: short stacking energy: -689.203 Base-Backbone interact. energy: -1.477 local terms energy: -704.603138 where: bonds (distance) C4'-P energy: -111.774 bonds (distance) P-C4' energy: -153.679 flat angles C4'-P-C4' energy: -140.998 flat angles P-C4'-P energy: -99.596 tors. eta vs tors. theta energy: -198.556 Dist. restrs. and SS energy: 0.000 (S_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: 174 Temperature: 1.250000 Total energy: -2349.541878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.541878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.541878 (E_RNA) where: Base-Base interactions energy: -1676.749 where: short stacking energy: -662.605 Base-Backbone interact. energy: -2.037 local terms energy: -670.755516 where: bonds (distance) C4'-P energy: -102.336 bonds (distance) P-C4' energy: -127.483 flat angles C4'-P-C4' energy: -151.671 flat angles P-C4'-P energy: -88.118 tors. eta vs tors. theta energy: -201.149 Dist. restrs. and SS energy: 0.000 (S_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: 174 Temperature: 1.300000 Total energy: -2272.109707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.109707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.109707 (E_RNA) where: Base-Base interactions energy: -1609.152 where: short stacking energy: -652.994 Base-Backbone interact. energy: -2.386 local terms energy: -660.571159 where: bonds (distance) C4'-P energy: -97.259 bonds (distance) P-C4' energy: -114.220 flat angles C4'-P-C4' energy: -143.934 flat angles P-C4'-P energy: -107.512 tors. eta vs tors. theta energy: -197.645 Dist. restrs. and SS energy: 0.000 (S_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: 174 Temperature: 1.350000 Total energy: -1964.214061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.214061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.214061 (E_RNA) where: Base-Base interactions energy: -1358.207 where: short stacking energy: -564.332 Base-Backbone interact. energy: -1.365 local terms energy: -604.642984 where: bonds (distance) C4'-P energy: -101.620 bonds (distance) P-C4' energy: -147.593 flat angles C4'-P-C4' energy: -123.870 flat angles P-C4'-P energy: -82.294 tors. eta vs tors. theta energy: -149.267 Dist. restrs. and SS energy: 0.000 (S_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: 175 Temperature: 0.900000 Total energy: -2717.543540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.543540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.543540 (E_RNA) where: Base-Base interactions energy: -1937.833 where: short stacking energy: -766.540 Base-Backbone interact. energy: -0.155 local terms energy: -779.556232 where: bonds (distance) C4'-P energy: -129.209 bonds (distance) P-C4' energy: -151.331 flat angles C4'-P-C4' energy: -157.545 flat angles P-C4'-P energy: -119.168 tors. eta vs tors. theta energy: -222.304 Dist. restrs. and SS energy: 0.000 (S_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: 175 Temperature: 0.950000 Total energy: -2684.607611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.607611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.607611 (E_RNA) where: Base-Base interactions energy: -1917.985 where: short stacking energy: -768.548 Base-Backbone interact. energy: 0.735 local terms energy: -767.357337 where: bonds (distance) C4'-P energy: -120.425 bonds (distance) P-C4' energy: -151.456 flat angles C4'-P-C4' energy: -166.297 flat angles P-C4'-P energy: -102.546 tors. eta vs tors. theta energy: -226.634 Dist. restrs. and SS energy: 0.000 (S_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: 175 Temperature: 1.000000 Total energy: -2630.873089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.873089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.873089 (E_RNA) where: Base-Base interactions energy: -1868.100 where: short stacking energy: -736.342 Base-Backbone interact. energy: -3.394 local terms energy: -759.379099 where: bonds (distance) C4'-P energy: -123.431 bonds (distance) P-C4' energy: -153.828 flat angles C4'-P-C4' energy: -157.586 flat angles P-C4'-P energy: -97.526 tors. eta vs tors. theta energy: -227.008 Dist. restrs. and SS energy: 0.000 (S_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: 175 Temperature: 1.050000 Total energy: -2616.534254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.534254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.534254 (E_RNA) where: Base-Base interactions energy: -1879.456 where: short stacking energy: -732.942 Base-Backbone interact. energy: -0.352 local terms energy: -736.726055 where: bonds (distance) C4'-P energy: -106.848 bonds (distance) P-C4' energy: -138.977 flat angles C4'-P-C4' energy: -161.662 flat angles P-C4'-P energy: -112.530 tors. eta vs tors. theta energy: -216.709 Dist. restrs. and SS energy: 0.000 (S_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: 175 Temperature: 1.100000 Total energy: -2512.768780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.768780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.768780 (E_RNA) where: Base-Base interactions energy: -1785.223 where: short stacking energy: -720.166 Base-Backbone interact. energy: -1.062 local terms energy: -726.484119 where: bonds (distance) C4'-P energy: -115.047 bonds (distance) P-C4' energy: -135.828 flat angles C4'-P-C4' energy: -161.789 flat angles P-C4'-P energy: -99.402 tors. eta vs tors. theta energy: -214.418 Dist. restrs. and SS energy: 0.000 (S_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: 175 Temperature: 1.150000 Total energy: -2452.847856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.847856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.847856 (E_RNA) where: Base-Base interactions energy: -1746.756 where: short stacking energy: -712.474 Base-Backbone interact. energy: -0.966 local terms energy: -705.125049 where: bonds (distance) C4'-P energy: -106.991 bonds (distance) P-C4' energy: -130.381 flat angles C4'-P-C4' energy: -153.321 flat angles P-C4'-P energy: -106.375 tors. eta vs tors. theta energy: -208.057 Dist. restrs. and SS energy: 0.000 (S_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: 175 Temperature: 1.200000 Total energy: -2398.323127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.323127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.323127 (E_RNA) where: Base-Base interactions energy: -1694.481 where: short stacking energy: -670.508 Base-Backbone interact. energy: -2.218 local terms energy: -701.624569 where: bonds (distance) C4'-P energy: -116.884 bonds (distance) P-C4' energy: -140.122 flat angles C4'-P-C4' energy: -149.146 flat angles P-C4'-P energy: -91.464 tors. eta vs tors. theta energy: -204.009 Dist. restrs. and SS energy: 0.000 (S_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: 175 Temperature: 1.250000 Total energy: -2361.681906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.681906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.681906 (E_RNA) where: Base-Base interactions energy: -1674.917 where: short stacking energy: -675.377 Base-Backbone interact. energy: -1.090 local terms energy: -685.674390 where: bonds (distance) C4'-P energy: -100.125 bonds (distance) P-C4' energy: -134.135 flat angles C4'-P-C4' energy: -142.653 flat angles P-C4'-P energy: -100.710 tors. eta vs tors. theta energy: -208.051 Dist. restrs. and SS energy: 0.000 (S_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: 175 Temperature: 1.300000 Total energy: -2249.671426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.671426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.671426 (E_RNA) where: Base-Base interactions energy: -1585.054 where: short stacking energy: -666.511 Base-Backbone interact. energy: -2.149 local terms energy: -662.468346 where: bonds (distance) C4'-P energy: -102.406 bonds (distance) P-C4' energy: -132.154 flat angles C4'-P-C4' energy: -146.840 flat angles P-C4'-P energy: -94.387 tors. eta vs tors. theta energy: -186.681 Dist. restrs. and SS energy: 0.000 (S_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: 175 Temperature: 1.350000 Total energy: -1947.306876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.306876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.306876 (E_RNA) where: Base-Base interactions energy: -1328.040 where: short stacking energy: -557.483 Base-Backbone interact. energy: -1.881 local terms energy: -617.385867 where: bonds (distance) C4'-P energy: -92.265 bonds (distance) P-C4' energy: -130.696 flat angles C4'-P-C4' energy: -149.766 flat angles P-C4'-P energy: -90.564 tors. eta vs tors. theta energy: -154.095 Dist. restrs. and SS energy: 0.000 (S_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: 176 Temperature: 0.900000 Total energy: -2730.718329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.718329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.718329 (E_RNA) where: Base-Base interactions energy: -1955.706 where: short stacking energy: -777.756 Base-Backbone interact. energy: -4.185 local terms energy: -770.827389 where: bonds (distance) C4'-P energy: -125.827 bonds (distance) P-C4' energy: -148.547 flat angles C4'-P-C4' energy: -155.677 flat angles P-C4'-P energy: -110.913 tors. eta vs tors. theta energy: -229.863 Dist. restrs. and SS energy: 0.000 (S_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: 176 Temperature: 0.950000 Total energy: -2693.834137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.834137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.834137 (E_RNA) where: Base-Base interactions energy: -1929.727 where: short stacking energy: -768.793 Base-Backbone interact. energy: -2.611 local terms energy: -761.496237 where: bonds (distance) C4'-P energy: -114.587 bonds (distance) P-C4' energy: -144.133 flat angles C4'-P-C4' energy: -159.313 flat angles P-C4'-P energy: -116.136 tors. eta vs tors. theta energy: -227.327 Dist. restrs. and SS energy: 0.000 (S_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: 176 Temperature: 1.000000 Total energy: -2633.914948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.914948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.914948 (E_RNA) where: Base-Base interactions energy: -1895.854 where: short stacking energy: -753.004 Base-Backbone interact. energy: -3.618 local terms energy: -734.442720 where: bonds (distance) C4'-P energy: -104.237 bonds (distance) P-C4' energy: -142.807 flat angles C4'-P-C4' energy: -160.160 flat angles P-C4'-P energy: -107.767 tors. eta vs tors. theta energy: -219.473 Dist. restrs. and SS energy: 0.000 (S_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: 176 Temperature: 1.050000 Total energy: -2616.705414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.705414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.705414 (E_RNA) where: Base-Base interactions energy: -1863.216 where: short stacking energy: -733.641 Base-Backbone interact. energy: 3.334 local terms energy: -756.823940 where: bonds (distance) C4'-P energy: -122.322 bonds (distance) P-C4' energy: -156.031 flat angles C4'-P-C4' energy: -158.039 flat angles P-C4'-P energy: -104.065 tors. eta vs tors. theta energy: -216.368 Dist. restrs. and SS energy: 0.000 (S_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: 176 Temperature: 1.100000 Total energy: -2530.112824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.112824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.112824 (E_RNA) where: Base-Base interactions energy: -1784.572 where: short stacking energy: -717.977 Base-Backbone interact. energy: -2.046 local terms energy: -743.494956 where: bonds (distance) C4'-P energy: -123.864 bonds (distance) P-C4' energy: -150.446 flat angles C4'-P-C4' energy: -156.353 flat angles P-C4'-P energy: -99.423 tors. eta vs tors. theta energy: -213.410 Dist. restrs. and SS energy: 0.000 (S_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: 176 Temperature: 1.150000 Total energy: -2472.852374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.852374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.852374 (E_RNA) where: Base-Base interactions energy: -1761.814 where: short stacking energy: -704.679 Base-Backbone interact. energy: -1.454 local terms energy: -709.584610 where: bonds (distance) C4'-P energy: -112.654 bonds (distance) P-C4' energy: -131.535 flat angles C4'-P-C4' energy: -149.933 flat angles P-C4'-P energy: -108.337 tors. eta vs tors. theta energy: -207.125 Dist. restrs. and SS energy: 0.000 (S_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: 176 Temperature: 1.200000 Total energy: -2377.294889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.294889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.294889 (E_RNA) where: Base-Base interactions energy: -1668.316 where: short stacking energy: -669.573 Base-Backbone interact. energy: -1.620 local terms energy: -707.358796 where: bonds (distance) C4'-P energy: -104.005 bonds (distance) P-C4' energy: -139.526 flat angles C4'-P-C4' energy: -158.664 flat angles P-C4'-P energy: -99.539 tors. eta vs tors. theta energy: -205.625 Dist. restrs. and SS energy: 0.000 (S_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: 176 Temperature: 1.250000 Total energy: -2344.663209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.663209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.663209 (E_RNA) where: Base-Base interactions energy: -1652.914 where: short stacking energy: -688.483 Base-Backbone interact. energy: -1.982 local terms energy: -689.767626 where: bonds (distance) C4'-P energy: -108.797 bonds (distance) P-C4' energy: -135.935 flat angles C4'-P-C4' energy: -146.194 flat angles P-C4'-P energy: -99.834 tors. eta vs tors. theta energy: -199.008 Dist. restrs. and SS energy: 0.000 (S_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: 176 Temperature: 1.300000 Total energy: -2265.789200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.789200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.789200 (E_RNA) where: Base-Base interactions energy: -1605.439 where: short stacking energy: -656.805 Base-Backbone interact. energy: -0.562 local terms energy: -659.788601 where: bonds (distance) C4'-P energy: -110.255 bonds (distance) P-C4' energy: -135.708 flat angles C4'-P-C4' energy: -138.200 flat angles P-C4'-P energy: -84.284 tors. eta vs tors. theta energy: -191.341 Dist. restrs. and SS energy: 0.000 (S_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: 176 Temperature: 1.350000 Total energy: -1982.077683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.077683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.077683 (E_RNA) where: Base-Base interactions energy: -1351.849 where: short stacking energy: -563.476 Base-Backbone interact. energy: 1.003 local terms energy: -631.232095 where: bonds (distance) C4'-P energy: -103.083 bonds (distance) P-C4' energy: -152.271 flat angles C4'-P-C4' energy: -138.453 flat angles P-C4'-P energy: -83.132 tors. eta vs tors. theta energy: -154.293 Dist. restrs. and SS energy: 0.000 (S_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: 177 Temperature: 0.900000 Total energy: -2699.295899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.295899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.295899 (E_RNA) where: Base-Base interactions energy: -1922.140 where: short stacking energy: -765.458 Base-Backbone interact. energy: -2.435 local terms energy: -774.720627 where: bonds (distance) C4'-P energy: -125.834 bonds (distance) P-C4' energy: -158.465 flat angles C4'-P-C4' energy: -162.774 flat angles P-C4'-P energy: -100.865 tors. eta vs tors. theta energy: -226.784 Dist. restrs. and SS energy: 0.000 (S_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: 177 Temperature: 0.950000 Total energy: -2689.425783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.425783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.425783 (E_RNA) where: Base-Base interactions energy: -1926.260 where: short stacking energy: -753.024 Base-Backbone interact. energy: -1.644 local terms energy: -761.521255 where: bonds (distance) C4'-P energy: -112.467 bonds (distance) P-C4' energy: -148.949 flat angles C4'-P-C4' energy: -161.101 flat angles P-C4'-P energy: -112.506 tors. eta vs tors. theta energy: -226.498 Dist. restrs. and SS energy: 0.000 (S_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: 177 Temperature: 1.000000 Total energy: -2636.470178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.470178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.470178 (E_RNA) where: Base-Base interactions energy: -1865.087 where: short stacking energy: -740.809 Base-Backbone interact. energy: -2.609 local terms energy: -768.774698 where: bonds (distance) C4'-P energy: -126.932 bonds (distance) P-C4' energy: -150.352 flat angles C4'-P-C4' energy: -157.976 flat angles P-C4'-P energy: -113.238 tors. eta vs tors. theta energy: -220.276 Dist. restrs. and SS energy: 0.000 (S_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: -2612.313271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.313271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.313271 (E_RNA) where: Base-Base interactions energy: -1851.491 where: short stacking energy: -753.647 Base-Backbone interact. energy: -1.975 local terms energy: -758.847484 where: bonds (distance) C4'-P energy: -126.397 bonds (distance) P-C4' energy: -151.061 flat angles C4'-P-C4' energy: -152.241 flat angles P-C4'-P energy: -103.373 tors. eta vs tors. theta energy: -225.775 Dist. restrs. and SS energy: 0.000 (S_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: -2513.893122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.893122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.893122 (E_RNA) where: Base-Base interactions energy: -1793.086 where: short stacking energy: -713.564 Base-Backbone interact. energy: -1.327 local terms energy: -719.479835 where: bonds (distance) C4'-P energy: -112.735 bonds (distance) P-C4' energy: -140.747 flat angles C4'-P-C4' energy: -152.797 flat angles P-C4'-P energy: -102.751 tors. eta vs tors. theta energy: -210.450 Dist. restrs. and SS energy: 0.000 (S_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: 177 Temperature: 1.150000 Total energy: -2466.215990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.215990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.215990 (E_RNA) where: Base-Base interactions energy: -1774.618 where: short stacking energy: -710.730 Base-Backbone interact. energy: -2.459 local terms energy: -689.139353 where: bonds (distance) C4'-P energy: -96.496 bonds (distance) P-C4' energy: -131.860 flat angles C4'-P-C4' energy: -146.449 flat angles P-C4'-P energy: -105.671 tors. eta vs tors. theta energy: -208.663 Dist. restrs. and SS energy: 0.000 (S_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: 177 Temperature: 1.200000 Total energy: -2383.311319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.311319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.311319 (E_RNA) where: Base-Base interactions energy: -1687.648 where: short stacking energy: -674.097 Base-Backbone interact. energy: -1.100 local terms energy: -694.563188 where: bonds (distance) C4'-P energy: -100.877 bonds (distance) P-C4' energy: -148.877 flat angles C4'-P-C4' energy: -148.238 flat angles P-C4'-P energy: -96.847 tors. eta vs tors. theta energy: -199.725 Dist. restrs. and SS energy: 0.000 (S_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: 177 Temperature: 1.250000 Total energy: -2355.319437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.319437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.319437 (E_RNA) where: Base-Base interactions energy: -1660.160 where: short stacking energy: -666.335 Base-Backbone interact. energy: -2.303 local terms energy: -692.856717 where: bonds (distance) C4'-P energy: -123.336 bonds (distance) P-C4' energy: -118.904 flat angles C4'-P-C4' energy: -143.500 flat angles P-C4'-P energy: -103.881 tors. eta vs tors. theta energy: -203.235 Dist. restrs. and SS energy: 0.000 (S_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: 177 Temperature: 1.300000 Total energy: -2261.443937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.443937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.443937 (E_RNA) where: Base-Base interactions energy: -1574.475 where: short stacking energy: -656.949 Base-Backbone interact. energy: -0.639 local terms energy: -686.329475 where: bonds (distance) C4'-P energy: -106.823 bonds (distance) P-C4' energy: -139.694 flat angles C4'-P-C4' energy: -142.272 flat angles P-C4'-P energy: -111.362 tors. eta vs tors. theta energy: -186.179 Dist. restrs. and SS energy: 0.000 (S_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: 177 Temperature: 1.350000 Total energy: -2012.669635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.669635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.669635 (E_RNA) where: Base-Base interactions energy: -1386.359 where: short stacking energy: -582.772 Base-Backbone interact. energy: -0.545 local terms energy: -625.765478 where: bonds (distance) C4'-P energy: -95.951 bonds (distance) P-C4' energy: -134.066 flat angles C4'-P-C4' energy: -141.648 flat angles P-C4'-P energy: -91.010 tors. eta vs tors. theta energy: -163.091 Dist. restrs. and SS energy: 0.000 (S_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: 178 Temperature: 0.900000 Total energy: -2704.414530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.414530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.414530 (E_RNA) where: Base-Base interactions energy: -1930.599 where: short stacking energy: -781.015 Base-Backbone interact. energy: -2.177 local terms energy: -771.638237 where: bonds (distance) C4'-P energy: -129.382 bonds (distance) P-C4' energy: -151.182 flat angles C4'-P-C4' energy: -153.411 flat angles P-C4'-P energy: -110.249 tors. eta vs tors. theta energy: -227.414 Dist. restrs. and SS energy: 0.000 (S_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: 178 Temperature: 0.950000 Total energy: -2686.360105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.360105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.360105 (E_RNA) where: Base-Base interactions energy: -1923.763 where: short stacking energy: -771.184 Base-Backbone interact. energy: -2.923 local terms energy: -759.673708 where: bonds (distance) C4'-P energy: -114.174 bonds (distance) P-C4' energy: -149.100 flat angles C4'-P-C4' energy: -163.530 flat angles P-C4'-P energy: -104.457 tors. eta vs tors. theta energy: -228.414 Dist. restrs. and SS energy: 0.000 (S_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: -2650.399783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.399783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.399783 (E_RNA) where: Base-Base interactions energy: -1885.007 where: short stacking energy: -729.795 Base-Backbone interact. energy: -1.432 local terms energy: -763.960293 where: bonds (distance) C4'-P energy: -128.264 bonds (distance) P-C4' energy: -160.476 flat angles C4'-P-C4' energy: -153.365 flat angles P-C4'-P energy: -107.813 tors. eta vs tors. theta energy: -214.042 Dist. restrs. and SS energy: 0.000 (S_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: 178 Temperature: 1.050000 Total energy: -2616.907497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.907497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.907497 (E_RNA) where: Base-Base interactions energy: -1873.091 where: short stacking energy: -745.969 Base-Backbone interact. energy: -0.876 local terms energy: -742.940510 where: bonds (distance) C4'-P energy: -109.356 bonds (distance) P-C4' energy: -149.944 flat angles C4'-P-C4' energy: -152.907 flat angles P-C4'-P energy: -100.432 tors. eta vs tors. theta energy: -230.300 Dist. restrs. and SS energy: 0.000 (S_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: 178 Temperature: 1.100000 Total energy: -2488.924969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.924969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.924969 (E_RNA) where: Base-Base interactions energy: -1763.248 where: short stacking energy: -713.243 Base-Backbone interact. energy: -0.939 local terms energy: -724.738381 where: bonds (distance) C4'-P energy: -105.242 bonds (distance) P-C4' energy: -144.194 flat angles C4'-P-C4' energy: -150.570 flat angles P-C4'-P energy: -103.343 tors. eta vs tors. theta energy: -221.390 Dist. restrs. and SS energy: 0.000 (S_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: 178 Temperature: 1.150000 Total energy: -2472.470050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.470050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.470050 (E_RNA) where: Base-Base interactions energy: -1763.021 where: short stacking energy: -706.875 Base-Backbone interact. energy: -1.790 local terms energy: -707.659392 where: bonds (distance) C4'-P energy: -108.518 bonds (distance) P-C4' energy: -144.584 flat angles C4'-P-C4' energy: -141.984 flat angles P-C4'-P energy: -102.825 tors. eta vs tors. theta energy: -209.748 Dist. restrs. and SS energy: 0.000 (S_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: 178 Temperature: 1.200000 Total energy: -2347.946583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.946583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.946583 (E_RNA) where: Base-Base interactions energy: -1661.163 where: short stacking energy: -696.006 Base-Backbone interact. energy: -1.550 local terms energy: -685.233901 where: bonds (distance) C4'-P energy: -99.345 bonds (distance) P-C4' energy: -127.241 flat angles C4'-P-C4' energy: -151.270 flat angles P-C4'-P energy: -97.834 tors. eta vs tors. theta energy: -209.544 Dist. restrs. and SS energy: 0.000 (S_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: 178 Temperature: 1.250000 Total energy: -2374.259764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.259764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.259764 (E_RNA) where: Base-Base interactions energy: -1684.468 where: short stacking energy: -671.856 Base-Backbone interact. energy: -2.414 local terms energy: -687.377510 where: bonds (distance) C4'-P energy: -90.607 bonds (distance) P-C4' energy: -134.276 flat angles C4'-P-C4' energy: -148.544 flat angles P-C4'-P energy: -104.666 tors. eta vs tors. theta energy: -209.285 Dist. restrs. and SS energy: 0.000 (S_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: 178 Temperature: 1.300000 Total energy: -2241.384413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.384413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.384413 (E_RNA) where: Base-Base interactions energy: -1583.598 where: short stacking energy: -644.232 Base-Backbone interact. energy: 3.698 local terms energy: -661.484252 where: bonds (distance) C4'-P energy: -98.546 bonds (distance) P-C4' energy: -136.862 flat angles C4'-P-C4' energy: -142.159 flat angles P-C4'-P energy: -99.037 tors. eta vs tors. theta energy: -184.880 Dist. restrs. and SS energy: 0.000 (S_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: 178 Temperature: 1.350000 Total energy: -1987.598082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.598082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.598082 (E_RNA) where: Base-Base interactions energy: -1354.371 where: short stacking energy: -572.025 Base-Backbone interact. energy: 5.261 local terms energy: -638.487778 where: bonds (distance) C4'-P energy: -103.512 bonds (distance) P-C4' energy: -130.406 flat angles C4'-P-C4' energy: -148.820 flat angles P-C4'-P energy: -100.612 tors. eta vs tors. theta energy: -155.137 Dist. restrs. and SS energy: 0.000 (S_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: 179 Temperature: 0.900000 Total energy: -2719.895586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.895586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.895586 (E_RNA) where: Base-Base interactions energy: -1932.774 where: short stacking energy: -769.563 Base-Backbone interact. energy: -2.721 local terms energy: -784.400604 where: bonds (distance) C4'-P energy: -118.090 bonds (distance) P-C4' energy: -159.622 flat angles C4'-P-C4' energy: -156.966 flat angles P-C4'-P energy: -115.327 tors. eta vs tors. theta energy: -234.396 Dist. restrs. and SS energy: 0.000 (S_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: 179 Temperature: 0.950000 Total energy: -2684.882531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.882531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.882531 (E_RNA) where: Base-Base interactions energy: -1908.263 where: short stacking energy: -755.717 Base-Backbone interact. energy: -1.777 local terms energy: -774.841979 where: bonds (distance) C4'-P energy: -119.438 bonds (distance) P-C4' energy: -151.810 flat angles C4'-P-C4' energy: -161.957 flat angles P-C4'-P energy: -108.582 tors. eta vs tors. theta energy: -233.055 Dist. restrs. and SS energy: 0.000 (S_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: 179 Temperature: 1.000000 Total energy: -2645.216586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.216586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.216586 (E_RNA) where: Base-Base interactions energy: -1882.612 where: short stacking energy: -737.126 Base-Backbone interact. energy: -2.441 local terms energy: -760.163738 where: bonds (distance) C4'-P energy: -115.495 bonds (distance) P-C4' energy: -161.614 flat angles C4'-P-C4' energy: -157.567 flat angles P-C4'-P energy: -110.160 tors. eta vs tors. theta energy: -215.328 Dist. restrs. and SS energy: 0.000 (S_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: 179 Temperature: 1.050000 Total energy: -2625.402210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.402210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.402210 (E_RNA) where: Base-Base interactions energy: -1861.985 where: short stacking energy: -746.300 Base-Backbone interact. energy: -2.298 local terms energy: -761.120067 where: bonds (distance) C4'-P energy: -114.457 bonds (distance) P-C4' energy: -146.343 flat angles C4'-P-C4' energy: -161.099 flat angles P-C4'-P energy: -110.187 tors. eta vs tors. theta energy: -229.034 Dist. restrs. and SS energy: 0.000 (S_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: 179 Temperature: 1.100000 Total energy: -2488.467160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.467160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.467160 (E_RNA) where: Base-Base interactions energy: -1749.786 where: short stacking energy: -699.257 Base-Backbone interact. energy: 2.666 local terms energy: -741.347555 where: bonds (distance) C4'-P energy: -116.295 bonds (distance) P-C4' energy: -161.578 flat angles C4'-P-C4' energy: -151.830 flat angles P-C4'-P energy: -107.498 tors. eta vs tors. theta energy: -204.147 Dist. restrs. and SS energy: 0.000 (S_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: -2492.783201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.783201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.783201 (E_RNA) where: Base-Base interactions energy: -1768.434 where: short stacking energy: -696.633 Base-Backbone interact. energy: -2.314 local terms energy: -722.035231 where: bonds (distance) C4'-P energy: -107.187 bonds (distance) P-C4' energy: -143.372 flat angles C4'-P-C4' energy: -159.670 flat angles P-C4'-P energy: -96.078 tors. eta vs tors. theta energy: -215.729 Dist. restrs. and SS energy: 0.000 (S_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: 179 Temperature: 1.200000 Total energy: -2380.311115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.311115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.311115 (E_RNA) where: Base-Base interactions energy: -1661.903 where: short stacking energy: -692.786 Base-Backbone interact. energy: 2.784 local terms energy: -721.192732 where: bonds (distance) C4'-P energy: -117.834 bonds (distance) P-C4' energy: -151.861 flat angles C4'-P-C4' energy: -147.396 flat angles P-C4'-P energy: -103.178 tors. eta vs tors. theta energy: -200.924 Dist. restrs. and SS energy: 0.000 (S_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: 179 Temperature: 1.250000 Total energy: -2388.203813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.203813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.203813 (E_RNA) where: Base-Base interactions energy: -1706.672 where: short stacking energy: -695.371 Base-Backbone interact. energy: -0.243 local terms energy: -681.287937 where: bonds (distance) C4'-P energy: -102.727 bonds (distance) P-C4' energy: -132.462 flat angles C4'-P-C4' energy: -152.582 flat angles P-C4'-P energy: -96.972 tors. eta vs tors. theta energy: -196.545 Dist. restrs. and SS energy: 0.000 (S_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: 179 Temperature: 1.300000 Total energy: -2172.154259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.154259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.154259 (E_RNA) where: Base-Base interactions energy: -1528.437 where: short stacking energy: -611.855 Base-Backbone interact. energy: -1.329 local terms energy: -642.387964 where: bonds (distance) C4'-P energy: -106.790 bonds (distance) P-C4' energy: -133.608 flat angles C4'-P-C4' energy: -132.763 flat angles P-C4'-P energy: -89.381 tors. eta vs tors. theta energy: -179.846 Dist. restrs. and SS energy: 0.000 (S_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: 179 Temperature: 1.350000 Total energy: -2048.920925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.920925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.920925 (E_RNA) where: Base-Base interactions energy: -1401.262 where: short stacking energy: -579.106 Base-Backbone interact. energy: -1.065 local terms energy: -646.594236 where: bonds (distance) C4'-P energy: -108.608 bonds (distance) P-C4' energy: -136.268 flat angles C4'-P-C4' energy: -137.532 flat angles P-C4'-P energy: -93.394 tors. eta vs tors. theta energy: -170.793 Dist. restrs. and SS energy: 0.000 (S_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: 180 Temperature: 0.900000 Total energy: -2709.722159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.722159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.722159 (E_RNA) where: Base-Base interactions energy: -1916.841 where: short stacking energy: -752.924 Base-Backbone interact. energy: -2.962 local terms energy: -789.919233 where: bonds (distance) C4'-P energy: -128.976 bonds (distance) P-C4' energy: -164.983 flat angles C4'-P-C4' energy: -155.896 flat angles P-C4'-P energy: -110.578 tors. eta vs tors. theta energy: -229.486 Dist. restrs. and SS energy: 0.000 (S_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: 180 Temperature: 0.950000 Total energy: -2685.791381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.791381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.791381 (E_RNA) where: Base-Base interactions energy: -1904.506 where: short stacking energy: -751.808 Base-Backbone interact. energy: -1.959 local terms energy: -779.326431 where: bonds (distance) C4'-P energy: -123.205 bonds (distance) P-C4' energy: -156.030 flat angles C4'-P-C4' energy: -158.601 flat angles P-C4'-P energy: -116.950 tors. eta vs tors. theta energy: -224.540 Dist. restrs. and SS energy: 0.000 (S_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: 180 Temperature: 1.000000 Total energy: -2657.445690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.445690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.445690 (E_RNA) where: Base-Base interactions energy: -1896.472 where: short stacking energy: -750.833 Base-Backbone interact. energy: -1.097 local terms energy: -759.876203 where: bonds (distance) C4'-P energy: -113.950 bonds (distance) P-C4' energy: -147.964 flat angles C4'-P-C4' energy: -154.762 flat angles P-C4'-P energy: -116.292 tors. eta vs tors. theta energy: -226.908 Dist. restrs. and SS energy: 0.000 (S_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: 180 Temperature: 1.050000 Total energy: -2606.235615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.235615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.235615 (E_RNA) where: Base-Base interactions energy: -1885.658 where: short stacking energy: -743.223 Base-Backbone interact. energy: -1.065 local terms energy: -719.512605 where: bonds (distance) C4'-P energy: -110.067 bonds (distance) P-C4' energy: -141.919 flat angles C4'-P-C4' energy: -146.424 flat angles P-C4'-P energy: -101.970 tors. eta vs tors. theta energy: -219.133 Dist. restrs. and SS energy: 0.000 (S_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: -2520.825740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.825740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.825740 (E_RNA) where: Base-Base interactions energy: -1806.552 where: short stacking energy: -711.134 Base-Backbone interact. energy: -0.721 local terms energy: -713.552665 where: bonds (distance) C4'-P energy: -102.117 bonds (distance) P-C4' energy: -150.248 flat angles C4'-P-C4' energy: -142.269 flat angles P-C4'-P energy: -106.111 tors. eta vs tors. theta energy: -212.807 Dist. restrs. and SS energy: 0.000 (S_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: 180 Temperature: 1.150000 Total energy: -2456.123192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.123192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.123192 (E_RNA) where: Base-Base interactions energy: -1737.285 where: short stacking energy: -692.436 Base-Backbone interact. energy: -2.451 local terms energy: -716.387235 where: bonds (distance) C4'-P energy: -107.124 bonds (distance) P-C4' energy: -151.837 flat angles C4'-P-C4' energy: -149.999 flat angles P-C4'-P energy: -98.108 tors. eta vs tors. theta energy: -209.319 Dist. restrs. and SS energy: 0.000 (S_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: 180 Temperature: 1.200000 Total energy: -2410.718658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.718658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.718658 (E_RNA) where: Base-Base interactions energy: -1731.291 where: short stacking energy: -695.820 Base-Backbone interact. energy: -1.509 local terms energy: -677.918437 where: bonds (distance) C4'-P energy: -95.160 bonds (distance) P-C4' energy: -128.186 flat angles C4'-P-C4' energy: -150.110 flat angles P-C4'-P energy: -103.110 tors. eta vs tors. theta energy: -201.352 Dist. restrs. and SS energy: 0.000 (S_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: 180 Temperature: 1.250000 Total energy: -2383.370221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.370221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.370221 (E_RNA) where: Base-Base interactions energy: -1703.275 where: short stacking energy: -692.598 Base-Backbone interact. energy: -2.228 local terms energy: -677.867073 where: bonds (distance) C4'-P energy: -109.233 bonds (distance) P-C4' energy: -140.698 flat angles C4'-P-C4' energy: -142.529 flat angles P-C4'-P energy: -85.003 tors. eta vs tors. theta energy: -200.405 Dist. restrs. and SS energy: 0.000 (S_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: 180 Temperature: 1.300000 Total energy: -2196.619247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.619247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.619247 (E_RNA) where: Base-Base interactions energy: -1550.901 where: short stacking energy: -633.999 Base-Backbone interact. energy: -1.536 local terms energy: -644.182428 where: bonds (distance) C4'-P energy: -103.269 bonds (distance) P-C4' energy: -132.174 flat angles C4'-P-C4' energy: -134.461 flat angles P-C4'-P energy: -89.246 tors. eta vs tors. theta energy: -185.032 Dist. restrs. and SS energy: 0.000 (S_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: -2063.340552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.340552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.340552 (E_RNA) where: Base-Base interactions energy: -1423.278 where: short stacking energy: -571.404 Base-Backbone interact. energy: 0.313 local terms energy: -640.376038 where: bonds (distance) C4'-P energy: -110.419 bonds (distance) P-C4' energy: -149.288 flat angles C4'-P-C4' energy: -128.583 flat angles P-C4'-P energy: -89.606 tors. eta vs tors. theta energy: -162.480 Dist. restrs. and SS energy: 0.000 (S_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: 181 Temperature: 0.900000 Total energy: -2715.886890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.886890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.886890 (E_RNA) where: Base-Base interactions energy: -1939.528 where: short stacking energy: -766.082 Base-Backbone interact. energy: -1.139 local terms energy: -775.220037 where: bonds (distance) C4'-P energy: -118.067 bonds (distance) P-C4' energy: -151.867 flat angles C4'-P-C4' energy: -157.543 flat angles P-C4'-P energy: -118.184 tors. eta vs tors. theta energy: -229.559 Dist. restrs. and SS energy: 0.000 (S_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: -2695.213269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.213269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.213269 (E_RNA) where: Base-Base interactions energy: -1933.049 where: short stacking energy: -766.062 Base-Backbone interact. energy: -0.857 local terms energy: -761.308050 where: bonds (distance) C4'-P energy: -117.713 bonds (distance) P-C4' energy: -155.045 flat angles C4'-P-C4' energy: -155.242 flat angles P-C4'-P energy: -109.242 tors. eta vs tors. theta energy: -224.065 Dist. restrs. and SS energy: 0.000 (S_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: 181 Temperature: 1.000000 Total energy: -2659.293535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.293535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.293535 (E_RNA) where: Base-Base interactions energy: -1886.849 where: short stacking energy: -755.886 Base-Backbone interact. energy: -2.003 local terms energy: -770.442175 where: bonds (distance) C4'-P energy: -123.418 bonds (distance) P-C4' energy: -141.965 flat angles C4'-P-C4' energy: -165.502 flat angles P-C4'-P energy: -115.276 tors. eta vs tors. theta energy: -224.281 Dist. restrs. and SS energy: 0.000 (S_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: 181 Temperature: 1.050000 Total energy: -2593.531726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.531726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.531726 (E_RNA) where: Base-Base interactions energy: -1882.959 where: short stacking energy: -739.911 Base-Backbone interact. energy: -1.827 local terms energy: -708.746371 where: bonds (distance) C4'-P energy: -115.044 bonds (distance) P-C4' energy: -141.876 flat angles C4'-P-C4' energy: -140.990 flat angles P-C4'-P energy: -97.852 tors. eta vs tors. theta energy: -212.984 Dist. restrs. and SS energy: 0.000 (S_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: 181 Temperature: 1.100000 Total energy: -2514.178100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.178100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.178100 (E_RNA) where: Base-Base interactions energy: -1784.430 where: short stacking energy: -710.648 Base-Backbone interact. energy: -2.673 local terms energy: -727.074376 where: bonds (distance) C4'-P energy: -114.426 bonds (distance) P-C4' energy: -152.178 flat angles C4'-P-C4' energy: -142.518 flat angles P-C4'-P energy: -100.519 tors. eta vs tors. theta energy: -217.433 Dist. restrs. and SS energy: 0.000 (S_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: 181 Temperature: 1.150000 Total energy: -2440.629193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.629193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.629193 (E_RNA) where: Base-Base interactions energy: -1729.864 where: short stacking energy: -696.511 Base-Backbone interact. energy: -1.751 local terms energy: -709.014510 where: bonds (distance) C4'-P energy: -114.278 bonds (distance) P-C4' energy: -146.625 flat angles C4'-P-C4' energy: -147.776 flat angles P-C4'-P energy: -98.965 tors. eta vs tors. theta energy: -201.370 Dist. restrs. and SS energy: 0.000 (S_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: 181 Temperature: 1.200000 Total energy: -2426.562408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.562408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.562408 (E_RNA) where: Base-Base interactions energy: -1723.007 where: short stacking energy: -698.113 Base-Backbone interact. energy: -1.841 local terms energy: -701.714191 where: bonds (distance) C4'-P energy: -119.782 bonds (distance) P-C4' energy: -134.570 flat angles C4'-P-C4' energy: -148.166 flat angles P-C4'-P energy: -101.084 tors. eta vs tors. theta energy: -198.112 Dist. restrs. and SS energy: 0.000 (S_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: 181 Temperature: 1.250000 Total energy: -2315.762700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.762700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.762700 (E_RNA) where: Base-Base interactions energy: -1634.790 where: short stacking energy: -668.473 Base-Backbone interact. energy: -1.372 local terms energy: -679.600197 where: bonds (distance) C4'-P energy: -98.711 bonds (distance) P-C4' energy: -138.729 flat angles C4'-P-C4' energy: -152.246 flat angles P-C4'-P energy: -97.891 tors. eta vs tors. theta energy: -192.023 Dist. restrs. and SS energy: 0.000 (S_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: 181 Temperature: 1.300000 Total energy: -2191.123374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.123374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.123374 (E_RNA) where: Base-Base interactions energy: -1519.367 where: short stacking energy: -626.924 Base-Backbone interact. energy: -0.940 local terms energy: -670.815996 where: bonds (distance) C4'-P energy: -111.357 bonds (distance) P-C4' energy: -143.658 flat angles C4'-P-C4' energy: -133.440 flat angles P-C4'-P energy: -96.254 tors. eta vs tors. theta energy: -186.107 Dist. restrs. and SS energy: 0.000 (S_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: -2066.078304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.078304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.078304 (E_RNA) where: Base-Base interactions energy: -1421.183 where: short stacking energy: -592.763 Base-Backbone interact. energy: -2.397 local terms energy: -642.498202 where: bonds (distance) C4'-P energy: -114.009 bonds (distance) P-C4' energy: -136.140 flat angles C4'-P-C4' energy: -126.225 flat angles P-C4'-P energy: -97.915 tors. eta vs tors. theta energy: -168.209 Dist. restrs. and SS energy: 0.000 (S_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: 182 Temperature: 0.900000 Total energy: -2706.512379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.512379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.512379 (E_RNA) where: Base-Base interactions energy: -1923.472 where: short stacking energy: -764.018 Base-Backbone interact. energy: -0.205 local terms energy: -782.835696 where: bonds (distance) C4'-P energy: -132.710 bonds (distance) P-C4' energy: -154.666 flat angles C4'-P-C4' energy: -153.893 flat angles P-C4'-P energy: -114.937 tors. eta vs tors. theta energy: -226.631 Dist. restrs. and SS energy: 0.000 (S_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: 182 Temperature: 0.950000 Total energy: -2696.103715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.103715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.103715 (E_RNA) where: Base-Base interactions energy: -1924.884 where: short stacking energy: -765.731 Base-Backbone interact. energy: -4.038 local terms energy: -767.181349 where: bonds (distance) C4'-P energy: -106.782 bonds (distance) P-C4' energy: -161.435 flat angles C4'-P-C4' energy: -154.478 flat angles P-C4'-P energy: -113.819 tors. eta vs tors. theta energy: -230.667 Dist. restrs. and SS energy: 0.000 (S_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: 182 Temperature: 1.000000 Total energy: -2639.789194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.789194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.789194 (E_RNA) where: Base-Base interactions energy: -1878.224 where: short stacking energy: -737.635 Base-Backbone interact. energy: -1.869 local terms energy: -759.695910 where: bonds (distance) C4'-P energy: -130.313 bonds (distance) P-C4' energy: -147.934 flat angles C4'-P-C4' energy: -159.620 flat angles P-C4'-P energy: -102.499 tors. eta vs tors. theta energy: -219.330 Dist. restrs. and SS energy: 0.000 (S_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: 182 Temperature: 1.050000 Total energy: -2628.397833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.397833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.397833 (E_RNA) where: Base-Base interactions energy: -1856.456 where: short stacking energy: -752.259 Base-Backbone interact. energy: -1.464 local terms energy: -770.478051 where: bonds (distance) C4'-P energy: -132.792 bonds (distance) P-C4' energy: -155.811 flat angles C4'-P-C4' energy: -157.067 flat angles P-C4'-P energy: -106.743 tors. eta vs tors. theta energy: -218.065 Dist. restrs. and SS energy: 0.000 (S_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: 182 Temperature: 1.100000 Total energy: -2538.394614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.394614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.394614 (E_RNA) where: Base-Base interactions energy: -1819.785 where: short stacking energy: -714.548 Base-Backbone interact. energy: -1.507 local terms energy: -717.102342 where: bonds (distance) C4'-P energy: -117.882 bonds (distance) P-C4' energy: -136.472 flat angles C4'-P-C4' energy: -148.177 flat angles P-C4'-P energy: -107.456 tors. eta vs tors. theta energy: -207.115 Dist. restrs. and SS energy: 0.000 (S_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: 182 Temperature: 1.150000 Total energy: -2410.625527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.625527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.625527 (E_RNA) where: Base-Base interactions energy: -1694.566 where: short stacking energy: -699.620 Base-Backbone interact. energy: -1.956 local terms energy: -714.103296 where: bonds (distance) C4'-P energy: -116.430 bonds (distance) P-C4' energy: -144.035 flat angles C4'-P-C4' energy: -145.903 flat angles P-C4'-P energy: -101.763 tors. eta vs tors. theta energy: -205.971 Dist. restrs. and SS energy: 0.000 (S_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: 182 Temperature: 1.200000 Total energy: -2416.279313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.279313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.279313 (E_RNA) where: Base-Base interactions energy: -1710.101 where: short stacking energy: -681.265 Base-Backbone interact. energy: 2.316 local terms energy: -708.494257 where: bonds (distance) C4'-P energy: -113.318 bonds (distance) P-C4' energy: -137.687 flat angles C4'-P-C4' energy: -149.576 flat angles P-C4'-P energy: -102.328 tors. eta vs tors. theta energy: -205.586 Dist. restrs. and SS energy: 0.000 (S_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: -2280.721922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.721922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.721922 (E_RNA) where: Base-Base interactions energy: -1614.543 where: short stacking energy: -654.535 Base-Backbone interact. energy: -3.014 local terms energy: -663.165372 where: bonds (distance) C4'-P energy: -93.098 bonds (distance) P-C4' energy: -140.600 flat angles C4'-P-C4' energy: -138.582 flat angles P-C4'-P energy: -104.128 tors. eta vs tors. theta energy: -186.758 Dist. restrs. and SS energy: 0.000 (S_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: 182 Temperature: 1.300000 Total energy: -2181.140297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.140297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.140297 (E_RNA) where: Base-Base interactions energy: -1523.666 where: short stacking energy: -607.158 Base-Backbone interact. energy: -1.203 local terms energy: -656.271593 where: bonds (distance) C4'-P energy: -112.801 bonds (distance) P-C4' energy: -136.751 flat angles C4'-P-C4' energy: -136.455 flat angles P-C4'-P energy: -92.493 tors. eta vs tors. theta energy: -177.771 Dist. restrs. and SS energy: 0.000 (S_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: 182 Temperature: 1.350000 Total energy: -2051.832103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.832103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.832103 (E_RNA) where: Base-Base interactions energy: -1434.552 where: short stacking energy: -578.594 Base-Backbone interact. energy: 0.630 local terms energy: -617.910842 where: bonds (distance) C4'-P energy: -107.249 bonds (distance) P-C4' energy: -125.972 flat angles C4'-P-C4' energy: -133.458 flat angles P-C4'-P energy: -83.935 tors. eta vs tors. theta energy: -167.297 Dist. restrs. and SS energy: 0.000 (S_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: 183 Temperature: 0.900000 Total energy: -2722.416352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.416352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.416352 (E_RNA) where: Base-Base interactions energy: -1946.215 where: short stacking energy: -774.788 Base-Backbone interact. energy: -3.496 local terms energy: -772.705550 where: bonds (distance) C4'-P energy: -127.448 bonds (distance) P-C4' energy: -149.163 flat angles C4'-P-C4' energy: -156.358 flat angles P-C4'-P energy: -107.353 tors. eta vs tors. theta energy: -232.383 Dist. restrs. and SS energy: 0.000 (S_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: 183 Temperature: 0.950000 Total energy: -2675.355501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.355501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.355501 (E_RNA) where: Base-Base interactions energy: -1902.136 where: short stacking energy: -760.917 Base-Backbone interact. energy: -2.513 local terms energy: -770.706361 where: bonds (distance) C4'-P energy: -126.403 bonds (distance) P-C4' energy: -147.772 flat angles C4'-P-C4' energy: -154.627 flat angles P-C4'-P energy: -118.352 tors. eta vs tors. theta energy: -223.553 Dist. restrs. and SS energy: 0.000 (S_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: -2645.706650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.706650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.706650 (E_RNA) where: Base-Base interactions energy: -1885.680 where: short stacking energy: -744.546 Base-Backbone interact. energy: 1.279 local terms energy: -761.305495 where: bonds (distance) C4'-P energy: -124.120 bonds (distance) P-C4' energy: -158.714 flat angles C4'-P-C4' energy: -154.608 flat angles P-C4'-P energy: -102.049 tors. eta vs tors. theta energy: -221.815 Dist. restrs. and SS energy: 0.000 (S_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: -2602.492346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.492346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.492346 (E_RNA) where: Base-Base interactions energy: -1875.030 where: short stacking energy: -762.145 Base-Backbone interact. energy: -1.868 local terms energy: -725.594325 where: bonds (distance) C4'-P energy: -112.283 bonds (distance) P-C4' energy: -144.454 flat angles C4'-P-C4' energy: -152.512 flat angles P-C4'-P energy: -94.325 tors. eta vs tors. theta energy: -222.019 Dist. restrs. and SS energy: 0.000 (S_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: 183 Temperature: 1.100000 Total energy: -2471.523404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.523404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.523404 (E_RNA) where: Base-Base interactions energy: -1774.961 where: short stacking energy: -716.568 Base-Backbone interact. energy: -1.574 local terms energy: -694.988868 where: bonds (distance) C4'-P energy: -105.463 bonds (distance) P-C4' energy: -126.092 flat angles C4'-P-C4' energy: -149.849 flat angles P-C4'-P energy: -105.360 tors. eta vs tors. theta energy: -208.225 Dist. restrs. and SS energy: 0.000 (S_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: 183 Temperature: 1.150000 Total energy: -2410.816333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.816333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.816333 (E_RNA) where: Base-Base interactions energy: -1710.318 where: short stacking energy: -691.180 Base-Backbone interact. energy: -0.770 local terms energy: -699.727648 where: bonds (distance) C4'-P energy: -97.816 bonds (distance) P-C4' energy: -151.252 flat angles C4'-P-C4' energy: -148.545 flat angles P-C4'-P energy: -104.774 tors. eta vs tors. theta energy: -197.340 Dist. restrs. and SS energy: 0.000 (S_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: 183 Temperature: 1.200000 Total energy: -2404.204838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.204838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.204838 (E_RNA) where: Base-Base interactions energy: -1699.362 where: short stacking energy: -669.930 Base-Backbone interact. energy: -1.825 local terms energy: -703.018235 where: bonds (distance) C4'-P energy: -107.174 bonds (distance) P-C4' energy: -146.473 flat angles C4'-P-C4' energy: -152.313 flat angles P-C4'-P energy: -93.270 tors. eta vs tors. theta energy: -203.788 Dist. restrs. and SS energy: 0.000 (S_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: 183 Temperature: 1.250000 Total energy: -2335.494525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.494525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.494525 (E_RNA) where: Base-Base interactions energy: -1652.155 where: short stacking energy: -665.727 Base-Backbone interact. energy: -1.452 local terms energy: -681.887027 where: bonds (distance) C4'-P energy: -99.865 bonds (distance) P-C4' energy: -139.394 flat angles C4'-P-C4' energy: -144.511 flat angles P-C4'-P energy: -95.234 tors. eta vs tors. theta energy: -202.884 Dist. restrs. and SS energy: 0.000 (S_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: 183 Temperature: 1.300000 Total energy: -2227.146652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.146652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.146652 (E_RNA) where: Base-Base interactions energy: -1557.098 where: short stacking energy: -631.296 Base-Backbone interact. energy: 3.954 local terms energy: -674.002807 where: bonds (distance) C4'-P energy: -105.820 bonds (distance) P-C4' energy: -141.271 flat angles C4'-P-C4' energy: -144.039 flat angles P-C4'-P energy: -97.989 tors. eta vs tors. theta energy: -184.883 Dist. restrs. and SS energy: 0.000 (S_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: 183 Temperature: 1.350000 Total energy: -2058.298983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.298983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.298983 (E_RNA) where: Base-Base interactions energy: -1395.020 where: short stacking energy: -587.515 Base-Backbone interact. energy: -1.832 local terms energy: -661.446692 where: bonds (distance) C4'-P energy: -111.577 bonds (distance) P-C4' energy: -140.901 flat angles C4'-P-C4' energy: -147.369 flat angles P-C4'-P energy: -93.662 tors. eta vs tors. theta energy: -167.938 Dist. restrs. and SS energy: 0.000 (S_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: 184 Temperature: 0.900000 Total energy: -2713.877306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.877306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.877306 (E_RNA) where: Base-Base interactions energy: -1943.625 where: short stacking energy: -780.299 Base-Backbone interact. energy: -1.080 local terms energy: -769.172371 where: bonds (distance) C4'-P energy: -118.737 bonds (distance) P-C4' energy: -156.032 flat angles C4'-P-C4' energy: -150.938 flat angles P-C4'-P energy: -110.144 tors. eta vs tors. theta energy: -233.323 Dist. restrs. and SS energy: 0.000 (S_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: -2662.244339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.244339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.244339 (E_RNA) where: Base-Base interactions energy: -1892.816 where: short stacking energy: -745.248 Base-Backbone interact. energy: -1.644 local terms energy: -767.784287 where: bonds (distance) C4'-P energy: -128.330 bonds (distance) P-C4' energy: -158.579 flat angles C4'-P-C4' energy: -164.660 flat angles P-C4'-P energy: -95.438 tors. eta vs tors. theta energy: -220.777 Dist. restrs. and SS energy: 0.000 (S_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: 184 Temperature: 1.000000 Total energy: -2644.646624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.646624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.646624 (E_RNA) where: Base-Base interactions energy: -1888.024 where: short stacking energy: -732.709 Base-Backbone interact. energy: -0.155 local terms energy: -756.467578 where: bonds (distance) C4'-P energy: -111.849 bonds (distance) P-C4' energy: -150.625 flat angles C4'-P-C4' energy: -163.524 flat angles P-C4'-P energy: -104.536 tors. eta vs tors. theta energy: -225.933 Dist. restrs. and SS energy: 0.000 (S_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: 184 Temperature: 1.050000 Total energy: -2615.011385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.011385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.011385 (E_RNA) where: Base-Base interactions energy: -1856.267 where: short stacking energy: -748.199 Base-Backbone interact. energy: -4.223 local terms energy: -754.520853 where: bonds (distance) C4'-P energy: -114.757 bonds (distance) P-C4' energy: -146.261 flat angles C4'-P-C4' energy: -162.256 flat angles P-C4'-P energy: -110.102 tors. eta vs tors. theta energy: -221.145 Dist. restrs. and SS energy: 0.000 (S_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: 184 Temperature: 1.100000 Total energy: -2487.351213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.351213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.351213 (E_RNA) where: Base-Base interactions energy: -1767.779 where: short stacking energy: -708.835 Base-Backbone interact. energy: -1.887 local terms energy: -717.684658 where: bonds (distance) C4'-P energy: -111.906 bonds (distance) P-C4' energy: -132.735 flat angles C4'-P-C4' energy: -157.975 flat angles P-C4'-P energy: -110.355 tors. eta vs tors. theta energy: -204.712 Dist. restrs. and SS energy: 0.000 (S_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: 184 Temperature: 1.150000 Total energy: -2428.968595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.968595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.968595 (E_RNA) where: Base-Base interactions energy: -1702.814 where: short stacking energy: -703.714 Base-Backbone interact. energy: -1.373 local terms energy: -724.781540 where: bonds (distance) C4'-P energy: -114.415 bonds (distance) P-C4' energy: -131.698 flat angles C4'-P-C4' energy: -161.029 flat angles P-C4'-P energy: -107.586 tors. eta vs tors. theta energy: -210.054 Dist. restrs. and SS energy: 0.000 (S_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: 184 Temperature: 1.200000 Total energy: -2354.761588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.761588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.761588 (E_RNA) where: Base-Base interactions energy: -1670.721 where: short stacking energy: -688.078 Base-Backbone interact. energy: 0.857 local terms energy: -684.898339 where: bonds (distance) C4'-P energy: -101.333 bonds (distance) P-C4' energy: -141.638 flat angles C4'-P-C4' energy: -150.171 flat angles P-C4'-P energy: -89.159 tors. eta vs tors. theta energy: -202.597 Dist. restrs. and SS energy: 0.000 (S_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: 184 Temperature: 1.250000 Total energy: -2399.320380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.320380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.320380 (E_RNA) where: Base-Base interactions energy: -1718.621 where: short stacking energy: -681.384 Base-Backbone interact. energy: -0.094 local terms energy: -680.604810 where: bonds (distance) C4'-P energy: -117.538 bonds (distance) P-C4' energy: -126.029 flat angles C4'-P-C4' energy: -144.699 flat angles P-C4'-P energy: -88.256 tors. eta vs tors. theta energy: -204.084 Dist. restrs. and SS energy: 0.000 (S_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: 184 Temperature: 1.300000 Total energy: -2216.599278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.599278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.599278 (E_RNA) where: Base-Base interactions energy: -1548.080 where: short stacking energy: -669.970 Base-Backbone interact. energy: 0.184 local terms energy: -668.702907 where: bonds (distance) C4'-P energy: -101.011 bonds (distance) P-C4' energy: -137.272 flat angles C4'-P-C4' energy: -147.238 flat angles P-C4'-P energy: -91.808 tors. eta vs tors. theta energy: -191.374 Dist. restrs. and SS energy: 0.000 (S_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: 184 Temperature: 1.350000 Total energy: -2098.656101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.656101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.656101 (E_RNA) where: Base-Base interactions energy: -1460.287 where: short stacking energy: -584.645 Base-Backbone interact. energy: -0.438 local terms energy: -637.931248 where: bonds (distance) C4'-P energy: -103.938 bonds (distance) P-C4' energy: -136.976 flat angles C4'-P-C4' energy: -142.096 flat angles P-C4'-P energy: -86.882 tors. eta vs tors. theta energy: -168.039 Dist. restrs. and SS energy: 0.000 (S_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: 185 Temperature: 0.900000 Total energy: -2711.084783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.084783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.084783 (E_RNA) where: Base-Base interactions energy: -1933.257 where: short stacking energy: -772.407 Base-Backbone interact. energy: -0.784 local terms energy: -777.043852 where: bonds (distance) C4'-P energy: -112.532 bonds (distance) P-C4' energy: -156.910 flat angles C4'-P-C4' energy: -164.831 flat angles P-C4'-P energy: -107.632 tors. eta vs tors. theta energy: -235.139 Dist. restrs. and SS energy: 0.000 (S_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: 185 Temperature: 0.950000 Total energy: -2659.416767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.416767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.416767 (E_RNA) where: Base-Base interactions energy: -1908.609 where: short stacking energy: -755.261 Base-Backbone interact. energy: -1.893 local terms energy: -748.914059 where: bonds (distance) C4'-P energy: -113.087 bonds (distance) P-C4' energy: -138.104 flat angles C4'-P-C4' energy: -157.565 flat angles P-C4'-P energy: -112.589 tors. eta vs tors. theta energy: -227.568 Dist. restrs. and SS energy: 0.000 (S_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: -2626.633093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.633093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.633093 (E_RNA) where: Base-Base interactions energy: -1875.924 where: short stacking energy: -740.035 Base-Backbone interact. energy: -0.626 local terms energy: -750.082920 where: bonds (distance) C4'-P energy: -116.009 bonds (distance) P-C4' energy: -150.257 flat angles C4'-P-C4' energy: -149.646 flat angles P-C4'-P energy: -116.588 tors. eta vs tors. theta energy: -217.583 Dist. restrs. and SS energy: 0.000 (S_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: 185 Temperature: 1.050000 Total energy: -2626.724589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.724589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.724589 (E_RNA) where: Base-Base interactions energy: -1870.009 where: short stacking energy: -744.691 Base-Backbone interact. energy: -2.215 local terms energy: -754.500761 where: bonds (distance) C4'-P energy: -130.854 bonds (distance) P-C4' energy: -144.155 flat angles C4'-P-C4' energy: -140.462 flat angles P-C4'-P energy: -117.163 tors. eta vs tors. theta energy: -221.867 Dist. restrs. and SS energy: 0.000 (S_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: 185 Temperature: 1.100000 Total energy: -2514.042368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.042368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.042368 (E_RNA) where: Base-Base interactions energy: -1778.110 where: short stacking energy: -730.955 Base-Backbone interact. energy: -2.756 local terms energy: -733.175821 where: bonds (distance) C4'-P energy: -119.527 bonds (distance) P-C4' energy: -151.278 flat angles C4'-P-C4' energy: -136.296 flat angles P-C4'-P energy: -114.716 tors. eta vs tors. theta energy: -211.359 Dist. restrs. and SS energy: 0.000 (S_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: 185 Temperature: 1.150000 Total energy: -2424.099653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.099653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.099653 (E_RNA) where: Base-Base interactions energy: -1712.118 where: short stacking energy: -698.878 Base-Backbone interact. energy: -1.290 local terms energy: -710.691315 where: bonds (distance) C4'-P energy: -119.598 bonds (distance) P-C4' energy: -136.425 flat angles C4'-P-C4' energy: -148.498 flat angles P-C4'-P energy: -100.432 tors. eta vs tors. theta energy: -205.738 Dist. restrs. and SS energy: 0.000 (S_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: 185 Temperature: 1.200000 Total energy: -2410.992836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.992836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.992836 (E_RNA) where: Base-Base interactions energy: -1697.306 where: short stacking energy: -676.770 Base-Backbone interact. energy: -1.464 local terms energy: -712.222392 where: bonds (distance) C4'-P energy: -125.296 bonds (distance) P-C4' energy: -141.557 flat angles C4'-P-C4' energy: -141.197 flat angles P-C4'-P energy: -99.516 tors. eta vs tors. theta energy: -204.656 Dist. restrs. and SS energy: 0.000 (S_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: 185 Temperature: 1.250000 Total energy: -2389.540587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.540587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.540587 (E_RNA) where: Base-Base interactions energy: -1683.279 where: short stacking energy: -671.154 Base-Backbone interact. energy: -1.572 local terms energy: -704.689886 where: bonds (distance) C4'-P energy: -106.001 bonds (distance) P-C4' energy: -138.368 flat angles C4'-P-C4' energy: -155.727 flat angles P-C4'-P energy: -99.058 tors. eta vs tors. theta energy: -205.536 Dist. restrs. and SS energy: 0.000 (S_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: -2139.934990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.934990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.934990 (E_RNA) where: Base-Base interactions energy: -1512.458 where: short stacking energy: -606.408 Base-Backbone interact. energy: -0.944 local terms energy: -626.533143 where: bonds (distance) C4'-P energy: -105.998 bonds (distance) P-C4' energy: -123.457 flat angles C4'-P-C4' energy: -136.523 flat angles P-C4'-P energy: -91.631 tors. eta vs tors. theta energy: -168.925 Dist. restrs. and SS energy: 0.000 (S_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: 185 Temperature: 1.350000 Total energy: -2108.822649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.822649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.822649 (E_RNA) where: Base-Base interactions energy: -1458.972 where: short stacking energy: -590.812 Base-Backbone interact. energy: -0.782 local terms energy: -649.069051 where: bonds (distance) C4'-P energy: -104.371 bonds (distance) P-C4' energy: -137.990 flat angles C4'-P-C4' energy: -142.771 flat angles P-C4'-P energy: -96.490 tors. eta vs tors. theta energy: -167.447 Dist. restrs. and SS energy: 0.000 (S_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: 186 Temperature: 0.900000 Total energy: -2697.581655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.581655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.581655 (E_RNA) where: Base-Base interactions energy: -1929.620 where: short stacking energy: -763.356 Base-Backbone interact. energy: -2.184 local terms energy: -765.777793 where: bonds (distance) C4'-P energy: -120.168 bonds (distance) P-C4' energy: -146.535 flat angles C4'-P-C4' energy: -166.373 flat angles P-C4'-P energy: -103.247 tors. eta vs tors. theta energy: -229.455 Dist. restrs. and SS energy: 0.000 (S_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: 186 Temperature: 0.950000 Total energy: -2679.793703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.793703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.793703 (E_RNA) where: Base-Base interactions energy: -1914.244 where: short stacking energy: -774.475 Base-Backbone interact. energy: -0.232 local terms energy: -765.317088 where: bonds (distance) C4'-P energy: -114.466 bonds (distance) P-C4' energy: -153.551 flat angles C4'-P-C4' energy: -160.096 flat angles P-C4'-P energy: -107.491 tors. eta vs tors. theta energy: -229.713 Dist. restrs. and SS energy: 0.000 (S_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: 186 Temperature: 1.000000 Total energy: -2639.173801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.173801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.173801 (E_RNA) where: Base-Base interactions energy: -1877.964 where: short stacking energy: -733.104 Base-Backbone interact. energy: -3.017 local terms energy: -758.193553 where: bonds (distance) C4'-P energy: -117.326 bonds (distance) P-C4' energy: -149.176 flat angles C4'-P-C4' energy: -158.865 flat angles P-C4'-P energy: -108.212 tors. eta vs tors. theta energy: -224.614 Dist. restrs. and SS energy: 0.000 (S_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: 186 Temperature: 1.050000 Total energy: -2658.213796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.213796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.213796 (E_RNA) where: Base-Base interactions energy: -1884.314 where: short stacking energy: -767.089 Base-Backbone interact. energy: -1.385 local terms energy: -772.514853 where: bonds (distance) C4'-P energy: -120.588 bonds (distance) P-C4' energy: -155.371 flat angles C4'-P-C4' energy: -155.803 flat angles P-C4'-P energy: -110.131 tors. eta vs tors. theta energy: -230.622 Dist. restrs. and SS energy: 0.000 (S_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: 186 Temperature: 1.100000 Total energy: -2519.633713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.633713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.633713 (E_RNA) where: Base-Base interactions energy: -1800.619 where: short stacking energy: -732.858 Base-Backbone interact. energy: 0.413 local terms energy: -719.427211 where: bonds (distance) C4'-P energy: -106.404 bonds (distance) P-C4' energy: -146.061 flat angles C4'-P-C4' energy: -146.708 flat angles P-C4'-P energy: -103.389 tors. eta vs tors. theta energy: -216.866 Dist. restrs. and SS energy: 0.000 (S_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: 186 Temperature: 1.150000 Total energy: -2450.585183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.585183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.585183 (E_RNA) where: Base-Base interactions energy: -1726.053 where: short stacking energy: -702.940 Base-Backbone interact. energy: -1.691 local terms energy: -722.840485 where: bonds (distance) C4'-P energy: -115.225 bonds (distance) P-C4' energy: -140.825 flat angles C4'-P-C4' energy: -156.556 flat angles P-C4'-P energy: -106.646 tors. eta vs tors. theta energy: -203.588 Dist. restrs. and SS energy: 0.000 (S_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: 186 Temperature: 1.200000 Total energy: -2371.498631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.498631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.498631 (E_RNA) where: Base-Base interactions energy: -1667.047 where: short stacking energy: -673.316 Base-Backbone interact. energy: -1.748 local terms energy: -702.703544 where: bonds (distance) C4'-P energy: -122.166 bonds (distance) P-C4' energy: -126.526 flat angles C4'-P-C4' energy: -150.774 flat angles P-C4'-P energy: -99.568 tors. eta vs tors. theta energy: -203.669 Dist. restrs. and SS energy: 0.000 (S_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: -2383.577431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.577431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.577431 (E_RNA) where: Base-Base interactions energy: -1707.679 where: short stacking energy: -677.702 Base-Backbone interact. energy: 1.502 local terms energy: -677.400622 where: bonds (distance) C4'-P energy: -101.113 bonds (distance) P-C4' energy: -134.502 flat angles C4'-P-C4' energy: -145.332 flat angles P-C4'-P energy: -94.701 tors. eta vs tors. theta energy: -201.753 Dist. restrs. and SS energy: 0.000 (S_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: 186 Temperature: 1.300000 Total energy: -2176.703748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.703748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.703748 (E_RNA) where: Base-Base interactions energy: -1517.275 where: short stacking energy: -613.905 Base-Backbone interact. energy: 0.467 local terms energy: -659.895656 where: bonds (distance) C4'-P energy: -120.095 bonds (distance) P-C4' energy: -124.544 flat angles C4'-P-C4' energy: -148.398 flat angles P-C4'-P energy: -94.558 tors. eta vs tors. theta energy: -172.300 Dist. restrs. and SS energy: 0.000 (S_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: 186 Temperature: 1.350000 Total energy: -2058.888249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.888249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.888249 (E_RNA) where: Base-Base interactions energy: -1428.426 where: short stacking energy: -583.651 Base-Backbone interact. energy: -1.700 local terms energy: -628.762633 where: bonds (distance) C4'-P energy: -100.247 bonds (distance) P-C4' energy: -128.900 flat angles C4'-P-C4' energy: -144.838 flat angles P-C4'-P energy: -94.124 tors. eta vs tors. theta energy: -160.654 Dist. restrs. and SS energy: 0.000 (S_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: 187 Temperature: 0.900000 Total energy: -2680.217286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.217286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.217286 (E_RNA) where: Base-Base interactions energy: -1893.275 where: short stacking energy: -747.233 Base-Backbone interact. energy: -1.880 local terms energy: -785.062102 where: bonds (distance) C4'-P energy: -124.268 bonds (distance) P-C4' energy: -150.868 flat angles C4'-P-C4' energy: -164.885 flat angles P-C4'-P energy: -117.563 tors. eta vs tors. theta energy: -227.478 Dist. restrs. and SS energy: 0.000 (S_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: -2676.000487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.000487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.000487 (E_RNA) where: Base-Base interactions energy: -1910.565 where: short stacking energy: -764.341 Base-Backbone interact. energy: -2.102 local terms energy: -763.333538 where: bonds (distance) C4'-P energy: -121.700 bonds (distance) P-C4' energy: -149.395 flat angles C4'-P-C4' energy: -158.668 flat angles P-C4'-P energy: -104.018 tors. eta vs tors. theta energy: -229.554 Dist. restrs. and SS energy: 0.000 (S_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: 187 Temperature: 1.000000 Total energy: -2643.239908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.239908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.239908 (E_RNA) where: Base-Base interactions energy: -1892.690 where: short stacking energy: -745.150 Base-Backbone interact. energy: -1.700 local terms energy: -748.850170 where: bonds (distance) C4'-P energy: -123.320 bonds (distance) P-C4' energy: -143.889 flat angles C4'-P-C4' energy: -152.303 flat angles P-C4'-P energy: -111.532 tors. eta vs tors. theta energy: -217.806 Dist. restrs. and SS energy: 0.000 (S_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: 187 Temperature: 1.050000 Total energy: -2605.915266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.915266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.915266 (E_RNA) where: Base-Base interactions energy: -1864.455 where: short stacking energy: -756.119 Base-Backbone interact. energy: -2.454 local terms energy: -739.006432 where: bonds (distance) C4'-P energy: -112.966 bonds (distance) P-C4' energy: -138.917 flat angles C4'-P-C4' energy: -156.192 flat angles P-C4'-P energy: -103.428 tors. eta vs tors. theta energy: -227.503 Dist. restrs. and SS energy: 0.000 (S_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: 187 Temperature: 1.100000 Total energy: -2531.761859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.761859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.761859 (E_RNA) where: Base-Base interactions energy: -1810.100 where: short stacking energy: -732.303 Base-Backbone interact. energy: -1.459 local terms energy: -720.203369 where: bonds (distance) C4'-P energy: -111.658 bonds (distance) P-C4' energy: -144.771 flat angles C4'-P-C4' energy: -149.001 flat angles P-C4'-P energy: -97.862 tors. eta vs tors. theta energy: -216.911 Dist. restrs. and SS energy: 0.000 (S_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: -2490.062784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.062784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.062784 (E_RNA) where: Base-Base interactions energy: -1759.142 where: short stacking energy: -702.806 Base-Backbone interact. energy: -2.930 local terms energy: -727.990649 where: bonds (distance) C4'-P energy: -111.145 bonds (distance) P-C4' energy: -150.100 flat angles C4'-P-C4' energy: -158.963 flat angles P-C4'-P energy: -101.038 tors. eta vs tors. theta energy: -206.744 Dist. restrs. and SS energy: 0.000 (S_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: 187 Temperature: 1.200000 Total energy: -2386.271830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.271830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.271830 (E_RNA) where: Base-Base interactions energy: -1677.866 where: short stacking energy: -676.819 Base-Backbone interact. energy: -1.229 local terms energy: -707.176970 where: bonds (distance) C4'-P energy: -98.763 bonds (distance) P-C4' energy: -148.849 flat angles C4'-P-C4' energy: -154.097 flat angles P-C4'-P energy: -103.488 tors. eta vs tors. theta energy: -201.980 Dist. restrs. and SS energy: 0.000 (S_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: 187 Temperature: 1.250000 Total energy: -2394.779708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.779708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.779708 (E_RNA) where: Base-Base interactions energy: -1695.911 where: short stacking energy: -681.588 Base-Backbone interact. energy: -1.843 local terms energy: -697.025720 where: bonds (distance) C4'-P energy: -121.336 bonds (distance) P-C4' energy: -141.820 flat angles C4'-P-C4' energy: -136.307 flat angles P-C4'-P energy: -94.019 tors. eta vs tors. theta energy: -203.544 Dist. restrs. and SS energy: 0.000 (S_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: 187 Temperature: 1.300000 Total energy: -2216.636454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.636454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.636454 (E_RNA) where: Base-Base interactions energy: -1548.460 where: short stacking energy: -638.535 Base-Backbone interact. energy: -2.747 local terms energy: -665.429988 where: bonds (distance) C4'-P energy: -112.753 bonds (distance) P-C4' energy: -130.750 flat angles C4'-P-C4' energy: -152.451 flat angles P-C4'-P energy: -89.209 tors. eta vs tors. theta energy: -180.267 Dist. restrs. and SS energy: 0.000 (S_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: 187 Temperature: 1.350000 Total energy: -2037.574010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.574010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.574010 (E_RNA) where: Base-Base interactions energy: -1390.920 where: short stacking energy: -576.722 Base-Backbone interact. energy: -1.602 local terms energy: -645.052143 where: bonds (distance) C4'-P energy: -104.510 bonds (distance) P-C4' energy: -144.247 flat angles C4'-P-C4' energy: -144.390 flat angles P-C4'-P energy: -92.700 tors. eta vs tors. theta energy: -159.206 Dist. restrs. and SS energy: 0.000 (S_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: -2717.593365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.593365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.593365 (E_RNA) where: Base-Base interactions energy: -1939.174 where: short stacking energy: -765.470 Base-Backbone interact. energy: -0.183 local terms energy: -778.236047 where: bonds (distance) C4'-P energy: -126.007 bonds (distance) P-C4' energy: -149.609 flat angles C4'-P-C4' energy: -164.904 flat angles P-C4'-P energy: -108.956 tors. eta vs tors. theta energy: -228.760 Dist. restrs. and SS energy: 0.000 (S_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: 188 Temperature: 0.950000 Total energy: -2663.022421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.022421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.022421 (E_RNA) where: Base-Base interactions energy: -1914.667 where: short stacking energy: -747.971 Base-Backbone interact. energy: -1.672 local terms energy: -746.684117 where: bonds (distance) C4'-P energy: -120.738 bonds (distance) P-C4' energy: -143.176 flat angles C4'-P-C4' energy: -155.064 flat angles P-C4'-P energy: -105.186 tors. eta vs tors. theta energy: -222.521 Dist. restrs. and SS energy: 0.000 (S_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: 188 Temperature: 1.000000 Total energy: -2669.750205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.750205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.750205 (E_RNA) where: Base-Base interactions energy: -1893.325 where: short stacking energy: -753.081 Base-Backbone interact. energy: -2.111 local terms energy: -774.313960 where: bonds (distance) C4'-P energy: -117.108 bonds (distance) P-C4' energy: -156.420 flat angles C4'-P-C4' energy: -157.924 flat angles P-C4'-P energy: -113.426 tors. eta vs tors. theta energy: -229.435 Dist. restrs. and SS energy: 0.000 (S_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: 188 Temperature: 1.050000 Total energy: -2612.528874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.528874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.528874 (E_RNA) where: Base-Base interactions energy: -1854.194 where: short stacking energy: -742.786 Base-Backbone interact. energy: -1.947 local terms energy: -756.387546 where: bonds (distance) C4'-P energy: -111.689 bonds (distance) P-C4' energy: -155.664 flat angles C4'-P-C4' energy: -156.761 flat angles P-C4'-P energy: -107.081 tors. eta vs tors. theta energy: -225.192 Dist. restrs. and SS energy: 0.000 (S_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: 188 Temperature: 1.100000 Total energy: -2522.047828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.047828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.047828 (E_RNA) where: Base-Base interactions energy: -1783.903 where: short stacking energy: -712.941 Base-Backbone interact. energy: -2.034 local terms energy: -736.110928 where: bonds (distance) C4'-P energy: -117.845 bonds (distance) P-C4' energy: -145.460 flat angles C4'-P-C4' energy: -160.476 flat angles P-C4'-P energy: -100.043 tors. eta vs tors. theta energy: -212.287 Dist. restrs. and SS energy: 0.000 (S_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: 188 Temperature: 1.150000 Total energy: -2486.304790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.304790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.304790 (E_RNA) where: Base-Base interactions energy: -1767.555 where: short stacking energy: -708.301 Base-Backbone interact. energy: -1.483 local terms energy: -717.267219 where: bonds (distance) C4'-P energy: -102.938 bonds (distance) P-C4' energy: -144.443 flat angles C4'-P-C4' energy: -155.464 flat angles P-C4'-P energy: -106.183 tors. eta vs tors. theta energy: -208.239 Dist. restrs. and SS energy: 0.000 (S_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: -2343.670207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.670207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.670207 (E_RNA) where: Base-Base interactions energy: -1638.356 where: short stacking energy: -658.380 Base-Backbone interact. energy: -2.445 local terms energy: -702.869244 where: bonds (distance) C4'-P energy: -113.418 bonds (distance) P-C4' energy: -135.415 flat angles C4'-P-C4' energy: -148.429 flat angles P-C4'-P energy: -105.022 tors. eta vs tors. theta energy: -200.585 Dist. restrs. and SS energy: 0.000 (S_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: 188 Temperature: 1.250000 Total energy: -2379.504454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.504454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.504454 (E_RNA) where: Base-Base interactions energy: -1685.438 where: short stacking energy: -674.050 Base-Backbone interact. energy: -0.746 local terms energy: -693.319928 where: bonds (distance) C4'-P energy: -117.628 bonds (distance) P-C4' energy: -137.027 flat angles C4'-P-C4' energy: -139.923 flat angles P-C4'-P energy: -102.526 tors. eta vs tors. theta energy: -196.215 Dist. restrs. and SS energy: 0.000 (S_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: -2231.494310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.494310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.494310 (E_RNA) where: Base-Base interactions energy: -1572.025 where: short stacking energy: -656.497 Base-Backbone interact. energy: -1.884 local terms energy: -657.585778 where: bonds (distance) C4'-P energy: -109.049 bonds (distance) P-C4' energy: -130.144 flat angles C4'-P-C4' energy: -128.368 flat angles P-C4'-P energy: -98.106 tors. eta vs tors. theta energy: -191.918 Dist. restrs. and SS energy: 0.000 (S_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: 188 Temperature: 1.350000 Total energy: -2103.017788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.017788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.017788 (E_RNA) where: Base-Base interactions energy: -1463.172 where: short stacking energy: -598.715 Base-Backbone interact. energy: -0.096 local terms energy: -639.749871 where: bonds (distance) C4'-P energy: -102.718 bonds (distance) P-C4' energy: -131.082 flat angles C4'-P-C4' energy: -145.874 flat angles P-C4'-P energy: -89.057 tors. eta vs tors. theta energy: -171.019 Dist. restrs. and SS energy: 0.000 (S_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: -2701.596627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.596627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.596627 (E_RNA) where: Base-Base interactions energy: -1925.803 where: short stacking energy: -778.424 Base-Backbone interact. energy: -2.494 local terms energy: -773.299518 where: bonds (distance) C4'-P energy: -121.263 bonds (distance) P-C4' energy: -149.799 flat angles C4'-P-C4' energy: -147.569 flat angles P-C4'-P energy: -124.472 tors. eta vs tors. theta energy: -230.197 Dist. restrs. and SS energy: 0.000 (S_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: 189 Temperature: 0.950000 Total energy: -2673.307141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.307141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.307141 (E_RNA) where: Base-Base interactions energy: -1902.139 where: short stacking energy: -761.642 Base-Backbone interact. energy: -1.664 local terms energy: -769.504843 where: bonds (distance) C4'-P energy: -127.082 bonds (distance) P-C4' energy: -138.998 flat angles C4'-P-C4' energy: -164.446 flat angles P-C4'-P energy: -112.998 tors. eta vs tors. theta energy: -225.981 Dist. restrs. and SS energy: 0.000 (S_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: 189 Temperature: 1.000000 Total energy: -2639.453887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.453887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.453887 (E_RNA) where: Base-Base interactions energy: -1872.470 where: short stacking energy: -748.215 Base-Backbone interact. energy: -0.449 local terms energy: -766.534665 where: bonds (distance) C4'-P energy: -120.166 bonds (distance) P-C4' energy: -155.448 flat angles C4'-P-C4' energy: -152.026 flat angles P-C4'-P energy: -111.861 tors. eta vs tors. theta energy: -227.033 Dist. restrs. and SS energy: 0.000 (S_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: 189 Temperature: 1.050000 Total energy: -2595.996624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.996624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.996624 (E_RNA) where: Base-Base interactions energy: -1851.108 where: short stacking energy: -739.323 Base-Backbone interact. energy: -0.108 local terms energy: -744.780748 where: bonds (distance) C4'-P energy: -107.217 bonds (distance) P-C4' energy: -146.144 flat angles C4'-P-C4' energy: -157.957 flat angles P-C4'-P energy: -109.491 tors. eta vs tors. theta energy: -223.972 Dist. restrs. and SS energy: 0.000 (S_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: -2496.978023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.978023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.978023 (E_RNA) where: Base-Base interactions energy: -1769.526 where: short stacking energy: -711.053 Base-Backbone interact. energy: -1.294 local terms energy: -726.157912 where: bonds (distance) C4'-P energy: -103.851 bonds (distance) P-C4' energy: -145.409 flat angles C4'-P-C4' energy: -156.943 flat angles P-C4'-P energy: -104.433 tors. eta vs tors. theta energy: -215.521 Dist. restrs. and SS energy: 0.000 (S_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: 189 Temperature: 1.150000 Total energy: -2463.148448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.148448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.148448 (E_RNA) where: Base-Base interactions energy: -1742.569 where: short stacking energy: -696.928 Base-Backbone interact. energy: -2.509 local terms energy: -718.070925 where: bonds (distance) C4'-P energy: -109.327 bonds (distance) P-C4' energy: -143.646 flat angles C4'-P-C4' energy: -155.500 flat angles P-C4'-P energy: -105.712 tors. eta vs tors. theta energy: -203.886 Dist. restrs. and SS energy: 0.000 (S_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: 189 Temperature: 1.200000 Total energy: -2381.008361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.008361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.008361 (E_RNA) where: Base-Base interactions energy: -1654.020 where: short stacking energy: -686.259 Base-Backbone interact. energy: -0.517 local terms energy: -726.470655 where: bonds (distance) C4'-P energy: -112.989 bonds (distance) P-C4' energy: -149.487 flat angles C4'-P-C4' energy: -149.090 flat angles P-C4'-P energy: -105.785 tors. eta vs tors. theta energy: -209.120 Dist. restrs. and SS energy: 0.000 (S_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: 189 Temperature: 1.250000 Total energy: -2360.026931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.026931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.026931 (E_RNA) where: Base-Base interactions energy: -1663.375 where: short stacking energy: -666.514 Base-Backbone interact. energy: -1.185 local terms energy: -695.466214 where: bonds (distance) C4'-P energy: -106.356 bonds (distance) P-C4' energy: -136.689 flat angles C4'-P-C4' energy: -138.257 flat angles P-C4'-P energy: -111.870 tors. eta vs tors. theta energy: -202.295 Dist. restrs. and SS energy: 0.000 (S_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: 189 Temperature: 1.300000 Total energy: -2228.705123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.705123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.705123 (E_RNA) where: Base-Base interactions energy: -1586.723 where: short stacking energy: -634.282 Base-Backbone interact. energy: 0.919 local terms energy: -642.902007 where: bonds (distance) C4'-P energy: -96.097 bonds (distance) P-C4' energy: -132.386 flat angles C4'-P-C4' energy: -140.539 flat angles P-C4'-P energy: -85.757 tors. eta vs tors. theta energy: -188.123 Dist. restrs. and SS energy: 0.000 (S_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: 189 Temperature: 1.350000 Total energy: -2075.691800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.691800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.691800 (E_RNA) where: Base-Base interactions energy: -1454.080 where: short stacking energy: -614.452 Base-Backbone interact. energy: -1.180 local terms energy: -620.431903 where: bonds (distance) C4'-P energy: -92.580 bonds (distance) P-C4' energy: -132.967 flat angles C4'-P-C4' energy: -139.994 flat angles P-C4'-P energy: -85.499 tors. eta vs tors. theta energy: -169.392 Dist. restrs. and SS energy: 0.000 (S_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: 190 Temperature: 0.900000 Total energy: -2707.900176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.900176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.900176 (E_RNA) where: Base-Base interactions energy: -1916.779 where: short stacking energy: -765.877 Base-Backbone interact. energy: -2.314 local terms energy: -788.807559 where: bonds (distance) C4'-P energy: -131.298 bonds (distance) P-C4' energy: -161.846 flat angles C4'-P-C4' energy: -157.551 flat angles P-C4'-P energy: -109.916 tors. eta vs tors. theta energy: -228.197 Dist. restrs. and SS energy: 0.000 (S_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: -2681.925707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.925707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.925707 (E_RNA) where: Base-Base interactions energy: -1911.366 where: short stacking energy: -754.176 Base-Backbone interact. energy: -0.893 local terms energy: -769.667038 where: bonds (distance) C4'-P energy: -120.439 bonds (distance) P-C4' energy: -148.385 flat angles C4'-P-C4' energy: -157.988 flat angles P-C4'-P energy: -118.004 tors. eta vs tors. theta energy: -224.851 Dist. restrs. and SS energy: 0.000 (S_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: 190 Temperature: 1.000000 Total energy: -2644.641779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.641779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.641779 (E_RNA) where: Base-Base interactions energy: -1880.652 where: short stacking energy: -732.562 Base-Backbone interact. energy: -2.382 local terms energy: -761.607863 where: bonds (distance) C4'-P energy: -115.908 bonds (distance) P-C4' energy: -150.808 flat angles C4'-P-C4' energy: -163.678 flat angles P-C4'-P energy: -108.507 tors. eta vs tors. theta energy: -222.706 Dist. restrs. and SS energy: 0.000 (S_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: 190 Temperature: 1.050000 Total energy: -2593.573020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.573020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.573020 (E_RNA) where: Base-Base interactions energy: -1842.848 where: short stacking energy: -733.131 Base-Backbone interact. energy: -1.666 local terms energy: -749.059064 where: bonds (distance) C4'-P energy: -114.690 bonds (distance) P-C4' energy: -152.846 flat angles C4'-P-C4' energy: -157.449 flat angles P-C4'-P energy: -103.102 tors. eta vs tors. theta energy: -220.972 Dist. restrs. and SS energy: 0.000 (S_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: 190 Temperature: 1.100000 Total energy: -2532.504234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.504234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.504234 (E_RNA) where: Base-Base interactions energy: -1802.512 where: short stacking energy: -743.993 Base-Backbone interact. energy: -1.223 local terms energy: -728.770059 where: bonds (distance) C4'-P energy: -110.390 bonds (distance) P-C4' energy: -140.576 flat angles C4'-P-C4' energy: -155.647 flat angles P-C4'-P energy: -98.487 tors. eta vs tors. theta energy: -223.669 Dist. restrs. and SS energy: 0.000 (S_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: 190 Temperature: 1.150000 Total energy: -2469.207878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.207878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.207878 (E_RNA) where: Base-Base interactions energy: -1743.349 where: short stacking energy: -700.128 Base-Backbone interact. energy: -1.566 local terms energy: -724.293154 where: bonds (distance) C4'-P energy: -124.204 bonds (distance) P-C4' energy: -134.304 flat angles C4'-P-C4' energy: -148.419 flat angles P-C4'-P energy: -100.926 tors. eta vs tors. theta energy: -216.440 Dist. restrs. and SS energy: 0.000 (S_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: 190 Temperature: 1.200000 Total energy: -2418.827757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.827757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.827757 (E_RNA) where: Base-Base interactions energy: -1692.891 where: short stacking energy: -677.271 Base-Backbone interact. energy: -0.862 local terms energy: -725.075010 where: bonds (distance) C4'-P energy: -115.098 bonds (distance) P-C4' energy: -149.862 flat angles C4'-P-C4' energy: -153.527 flat angles P-C4'-P energy: -105.416 tors. eta vs tors. theta energy: -201.173 Dist. restrs. and SS energy: 0.000 (S_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: 190 Temperature: 1.250000 Total energy: -2340.382564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.382564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.382564 (E_RNA) where: Base-Base interactions energy: -1634.259 where: short stacking energy: -672.978 Base-Backbone interact. energy: -0.750 local terms energy: -705.373006 where: bonds (distance) C4'-P energy: -114.354 bonds (distance) P-C4' energy: -139.319 flat angles C4'-P-C4' energy: -151.900 flat angles P-C4'-P energy: -105.239 tors. eta vs tors. theta energy: -194.560 Dist. restrs. and SS energy: 0.000 (S_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: 190 Temperature: 1.300000 Total energy: -2270.558026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.558026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.558026 (E_RNA) where: Base-Base interactions energy: -1576.587 where: short stacking energy: -650.379 Base-Backbone interact. energy: -2.643 local terms energy: -691.327952 where: bonds (distance) C4'-P energy: -109.846 bonds (distance) P-C4' energy: -150.080 flat angles C4'-P-C4' energy: -140.143 flat angles P-C4'-P energy: -85.265 tors. eta vs tors. theta energy: -205.993 Dist. restrs. and SS energy: 0.000 (S_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: 190 Temperature: 1.350000 Total energy: -2060.684228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.684228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.684228 (E_RNA) where: Base-Base interactions energy: -1428.426 where: short stacking energy: -582.196 Base-Backbone interact. energy: -2.035 local terms energy: -630.223379 where: bonds (distance) C4'-P energy: -101.127 bonds (distance) P-C4' energy: -139.840 flat angles C4'-P-C4' energy: -126.751 flat angles P-C4'-P energy: -94.411 tors. eta vs tors. theta energy: -168.094 Dist. restrs. and SS energy: 0.000 (S_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: 191 Temperature: 0.900000 Total energy: -2715.707690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.707690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.707690 (E_RNA) where: Base-Base interactions energy: -1935.513 where: short stacking energy: -768.871 Base-Backbone interact. energy: 0.115 local terms energy: -780.309522 where: bonds (distance) C4'-P energy: -122.255 bonds (distance) P-C4' energy: -154.395 flat angles C4'-P-C4' energy: -163.736 flat angles P-C4'-P energy: -112.064 tors. eta vs tors. theta energy: -227.860 Dist. restrs. and SS energy: 0.000 (S_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: 191 Temperature: 0.950000 Total energy: -2672.247682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.247682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.247682 (E_RNA) where: Base-Base interactions energy: -1920.857 where: short stacking energy: -744.381 Base-Backbone interact. energy: 2.599 local terms energy: -753.989064 where: bonds (distance) C4'-P energy: -121.500 bonds (distance) P-C4' energy: -147.932 flat angles C4'-P-C4' energy: -157.156 flat angles P-C4'-P energy: -109.112 tors. eta vs tors. theta energy: -218.290 Dist. restrs. and SS energy: 0.000 (S_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: 191 Temperature: 1.000000 Total energy: -2625.243524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.243524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.243524 (E_RNA) where: Base-Base interactions energy: -1867.065 where: short stacking energy: -739.948 Base-Backbone interact. energy: -1.545 local terms energy: -756.632585 where: bonds (distance) C4'-P energy: -123.779 bonds (distance) P-C4' energy: -148.161 flat angles C4'-P-C4' energy: -156.234 flat angles P-C4'-P energy: -109.462 tors. eta vs tors. theta energy: -218.997 Dist. restrs. and SS energy: 0.000 (S_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: 191 Temperature: 1.050000 Total energy: -2604.139957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.139957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.139957 (E_RNA) where: Base-Base interactions energy: -1850.758 where: short stacking energy: -743.907 Base-Backbone interact. energy: -1.510 local terms energy: -751.871311 where: bonds (distance) C4'-P energy: -116.441 bonds (distance) P-C4' energy: -151.461 flat angles C4'-P-C4' energy: -152.859 flat angles P-C4'-P energy: -105.155 tors. eta vs tors. theta energy: -225.956 Dist. restrs. and SS energy: 0.000 (S_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: 191 Temperature: 1.100000 Total energy: -2514.753654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.753654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.753654 (E_RNA) where: Base-Base interactions energy: -1784.552 where: short stacking energy: -705.580 Base-Backbone interact. energy: -0.558 local terms energy: -729.643641 where: bonds (distance) C4'-P energy: -115.656 bonds (distance) P-C4' energy: -145.120 flat angles C4'-P-C4' energy: -152.754 flat angles P-C4'-P energy: -103.785 tors. eta vs tors. theta energy: -212.329 Dist. restrs. and SS energy: 0.000 (S_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: 191 Temperature: 1.150000 Total energy: -2483.286747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.286747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.286747 (E_RNA) where: Base-Base interactions energy: -1767.274 where: short stacking energy: -706.910 Base-Backbone interact. energy: -1.726 local terms energy: -714.286877 where: bonds (distance) C4'-P energy: -110.755 bonds (distance) P-C4' energy: -148.964 flat angles C4'-P-C4' energy: -145.114 flat angles P-C4'-P energy: -99.054 tors. eta vs tors. theta energy: -210.399 Dist. restrs. and SS energy: 0.000 (S_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: 191 Temperature: 1.200000 Total energy: -2435.528019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.528019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.528019 (E_RNA) where: Base-Base interactions energy: -1743.880 where: short stacking energy: -693.474 Base-Backbone interact. energy: -1.537 local terms energy: -690.110909 where: bonds (distance) C4'-P energy: -107.751 bonds (distance) P-C4' energy: -140.102 flat angles C4'-P-C4' energy: -154.630 flat angles P-C4'-P energy: -89.821 tors. eta vs tors. theta energy: -197.807 Dist. restrs. and SS energy: 0.000 (S_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: 191 Temperature: 1.250000 Total energy: -2336.940933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.940933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.940933 (E_RNA) where: Base-Base interactions energy: -1641.010 where: short stacking energy: -665.249 Base-Backbone interact. energy: -2.243 local terms energy: -693.687386 where: bonds (distance) C4'-P energy: -116.125 bonds (distance) P-C4' energy: -142.868 flat angles C4'-P-C4' energy: -145.701 flat angles P-C4'-P energy: -97.947 tors. eta vs tors. theta energy: -191.046 Dist. restrs. and SS energy: 0.000 (S_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: 191 Temperature: 1.300000 Total energy: -2251.894050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.894050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.894050 (E_RNA) where: Base-Base interactions energy: -1594.517 where: short stacking energy: -642.055 Base-Backbone interact. energy: -0.998 local terms energy: -656.378634 where: bonds (distance) C4'-P energy: -110.504 bonds (distance) P-C4' energy: -128.656 flat angles C4'-P-C4' energy: -143.492 flat angles P-C4'-P energy: -88.441 tors. eta vs tors. theta energy: -185.286 Dist. restrs. and SS energy: 0.000 (S_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: 191 Temperature: 1.350000 Total energy: -2056.276905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.276905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.276905 (E_RNA) where: Base-Base interactions energy: -1435.796 where: short stacking energy: -588.575 Base-Backbone interact. energy: -1.352 local terms energy: -619.129197 where: bonds (distance) C4'-P energy: -102.597 bonds (distance) P-C4' energy: -131.978 flat angles C4'-P-C4' energy: -138.969 flat angles P-C4'-P energy: -83.572 tors. eta vs tors. theta energy: -162.013 Dist. restrs. and SS energy: 0.000 (S_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: 192 Temperature: 0.900000 Total energy: -2720.802368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.802368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.802368 (E_RNA) where: Base-Base interactions energy: -1926.122 where: short stacking energy: -777.909 Base-Backbone interact. energy: -2.792 local terms energy: -791.888661 where: bonds (distance) C4'-P energy: -119.599 bonds (distance) P-C4' energy: -159.798 flat angles C4'-P-C4' energy: -166.992 flat angles P-C4'-P energy: -112.380 tors. eta vs tors. theta energy: -233.119 Dist. restrs. and SS energy: 0.000 (S_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: 192 Temperature: 0.950000 Total energy: -2680.392772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.392772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.392772 (E_RNA) where: Base-Base interactions energy: -1914.974 where: short stacking energy: -752.586 Base-Backbone interact. energy: -2.770 local terms energy: -762.648919 where: bonds (distance) C4'-P energy: -118.154 bonds (distance) P-C4' energy: -158.567 flat angles C4'-P-C4' energy: -155.993 flat angles P-C4'-P energy: -106.831 tors. eta vs tors. theta energy: -223.104 Dist. restrs. and SS energy: 0.000 (S_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: 192 Temperature: 1.000000 Total energy: -2605.549032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.549032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.549032 (E_RNA) where: Base-Base interactions energy: -1861.581 where: short stacking energy: -750.159 Base-Backbone interact. energy: -1.635 local terms energy: -742.332741 where: bonds (distance) C4'-P energy: -110.513 bonds (distance) P-C4' energy: -151.655 flat angles C4'-P-C4' energy: -152.243 flat angles P-C4'-P energy: -109.794 tors. eta vs tors. theta energy: -218.127 Dist. restrs. and SS energy: 0.000 (S_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: 192 Temperature: 1.050000 Total energy: -2600.620315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.620315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.620315 (E_RNA) where: Base-Base interactions energy: -1858.700 where: short stacking energy: -732.152 Base-Backbone interact. energy: -1.519 local terms energy: -740.400864 where: bonds (distance) C4'-P energy: -112.959 bonds (distance) P-C4' energy: -145.412 flat angles C4'-P-C4' energy: -155.392 flat angles P-C4'-P energy: -112.702 tors. eta vs tors. theta energy: -213.936 Dist. restrs. and SS energy: 0.000 (S_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: 192 Temperature: 1.100000 Total energy: -2507.350515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.350515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.350515 (E_RNA) where: Base-Base interactions energy: -1765.245 where: short stacking energy: -706.260 Base-Backbone interact. energy: -4.758 local terms energy: -737.347503 where: bonds (distance) C4'-P energy: -113.731 bonds (distance) P-C4' energy: -144.234 flat angles C4'-P-C4' energy: -161.297 flat angles P-C4'-P energy: -103.376 tors. eta vs tors. theta energy: -214.709 Dist. restrs. and SS energy: 0.000 (S_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: 192 Temperature: 1.150000 Total energy: -2493.862284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.862284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.862284 (E_RNA) where: Base-Base interactions energy: -1799.651 where: short stacking energy: -715.867 Base-Backbone interact. energy: -1.146 local terms energy: -693.065049 where: bonds (distance) C4'-P energy: -96.489 bonds (distance) P-C4' energy: -127.858 flat angles C4'-P-C4' energy: -144.231 flat angles P-C4'-P energy: -110.535 tors. eta vs tors. theta energy: -213.951 Dist. restrs. and SS energy: 0.000 (S_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: -2434.425874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.425874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.425874 (E_RNA) where: Base-Base interactions energy: -1732.635 where: short stacking energy: -691.616 Base-Backbone interact. energy: -1.242 local terms energy: -700.549603 where: bonds (distance) C4'-P energy: -106.387 bonds (distance) P-C4' energy: -133.465 flat angles C4'-P-C4' energy: -147.606 flat angles P-C4'-P energy: -103.768 tors. eta vs tors. theta energy: -209.323 Dist. restrs. and SS energy: 0.000 (S_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: 192 Temperature: 1.250000 Total energy: -2336.794397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.794397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.794397 (E_RNA) where: Base-Base interactions energy: -1647.842 where: short stacking energy: -679.268 Base-Backbone interact. energy: 0.391 local terms energy: -689.343331 where: bonds (distance) C4'-P energy: -112.923 bonds (distance) P-C4' energy: -146.047 flat angles C4'-P-C4' energy: -139.204 flat angles P-C4'-P energy: -88.730 tors. eta vs tors. theta energy: -202.440 Dist. restrs. and SS energy: 0.000 (S_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: 192 Temperature: 1.300000 Total energy: -2264.745412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.745412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.745412 (E_RNA) where: Base-Base interactions energy: -1571.388 where: short stacking energy: -637.315 Base-Backbone interact. energy: -2.217 local terms energy: -691.140266 where: bonds (distance) C4'-P energy: -124.827 bonds (distance) P-C4' energy: -145.185 flat angles C4'-P-C4' energy: -139.819 flat angles P-C4'-P energy: -95.575 tors. eta vs tors. theta energy: -185.734 Dist. restrs. and SS energy: 0.000 (S_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: 192 Temperature: 1.350000 Total energy: -2022.690762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.690762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.690762 (E_RNA) where: Base-Base interactions energy: -1374.541 where: short stacking energy: -580.955 Base-Backbone interact. energy: -0.722 local terms energy: -647.427599 where: bonds (distance) C4'-P energy: -113.344 bonds (distance) P-C4' energy: -131.272 flat angles C4'-P-C4' energy: -140.901 flat angles P-C4'-P energy: -90.607 tors. eta vs tors. theta energy: -171.303 Dist. restrs. and SS energy: 0.000 (S_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: 193 Temperature: 0.900000 Total energy: -2707.349321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.349321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.349321 (E_RNA) where: Base-Base interactions energy: -1919.354 where: short stacking energy: -771.170 Base-Backbone interact. energy: 0.737 local terms energy: -788.732565 where: bonds (distance) C4'-P energy: -124.855 bonds (distance) P-C4' energy: -155.256 flat angles C4'-P-C4' energy: -166.801 flat angles P-C4'-P energy: -108.083 tors. eta vs tors. theta energy: -233.737 Dist. restrs. and SS energy: 0.000 (S_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: 193 Temperature: 0.950000 Total energy: -2702.915490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.915490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.915490 (E_RNA) where: Base-Base interactions energy: -1948.551 where: short stacking energy: -772.428 Base-Backbone interact. energy: -2.984 local terms energy: -751.380562 where: bonds (distance) C4'-P energy: -123.691 bonds (distance) P-C4' energy: -138.122 flat angles C4'-P-C4' energy: -155.024 flat angles P-C4'-P energy: -108.719 tors. eta vs tors. theta energy: -225.825 Dist. restrs. and SS energy: 0.000 (S_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: 193 Temperature: 1.000000 Total energy: -2624.899475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.899475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.899475 (E_RNA) where: Base-Base interactions energy: -1868.499 where: short stacking energy: -743.418 Base-Backbone interact. energy: -0.302 local terms energy: -756.098399 where: bonds (distance) C4'-P energy: -113.759 bonds (distance) P-C4' energy: -141.964 flat angles C4'-P-C4' energy: -163.927 flat angles P-C4'-P energy: -116.000 tors. eta vs tors. theta energy: -220.449 Dist. restrs. and SS energy: 0.000 (S_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: 193 Temperature: 1.050000 Total energy: -2622.646044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.646044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.646044 (E_RNA) where: Base-Base interactions energy: -1885.565 where: short stacking energy: -730.560 Base-Backbone interact. energy: -2.921 local terms energy: -734.159496 where: bonds (distance) C4'-P energy: -116.124 bonds (distance) P-C4' energy: -142.279 flat angles C4'-P-C4' energy: -147.201 flat angles P-C4'-P energy: -104.563 tors. eta vs tors. theta energy: -223.992 Dist. restrs. and SS energy: 0.000 (S_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: 193 Temperature: 1.100000 Total energy: -2507.779016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.779016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.779016 (E_RNA) where: Base-Base interactions energy: -1777.767 where: short stacking energy: -713.327 Base-Backbone interact. energy: -1.523 local terms energy: -728.489294 where: bonds (distance) C4'-P energy: -117.139 bonds (distance) P-C4' energy: -143.685 flat angles C4'-P-C4' energy: -149.147 flat angles P-C4'-P energy: -102.833 tors. eta vs tors. theta energy: -215.684 Dist. restrs. and SS energy: 0.000 (S_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: 193 Temperature: 1.150000 Total energy: -2482.901324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.901324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.901324 (E_RNA) where: Base-Base interactions energy: -1766.371 where: short stacking energy: -712.766 Base-Backbone interact. energy: -0.134 local terms energy: -716.396531 where: bonds (distance) C4'-P energy: -110.638 bonds (distance) P-C4' energy: -135.625 flat angles C4'-P-C4' energy: -154.228 flat angles P-C4'-P energy: -95.632 tors. eta vs tors. theta energy: -220.273 Dist. restrs. and SS energy: 0.000 (S_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: 193 Temperature: 1.200000 Total energy: -2448.685195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.685195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.685195 (E_RNA) where: Base-Base interactions energy: -1730.937 where: short stacking energy: -697.889 Base-Backbone interact. energy: -2.388 local terms energy: -715.360274 where: bonds (distance) C4'-P energy: -109.027 bonds (distance) P-C4' energy: -143.739 flat angles C4'-P-C4' energy: -157.943 flat angles P-C4'-P energy: -99.078 tors. eta vs tors. theta energy: -205.574 Dist. restrs. and SS energy: 0.000 (S_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: 193 Temperature: 1.250000 Total energy: -2372.755512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.755512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.755512 (E_RNA) where: Base-Base interactions energy: -1676.040 where: short stacking energy: -681.704 Base-Backbone interact. energy: -1.305 local terms energy: -695.410704 where: bonds (distance) C4'-P energy: -96.828 bonds (distance) P-C4' energy: -138.875 flat angles C4'-P-C4' energy: -148.430 flat angles P-C4'-P energy: -104.424 tors. eta vs tors. theta energy: -206.852 Dist. restrs. and SS energy: 0.000 (S_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: 193 Temperature: 1.300000 Total energy: -2266.276708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.276708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.276708 (E_RNA) where: Base-Base interactions energy: -1595.772 where: short stacking energy: -637.907 Base-Backbone interact. energy: -2.133 local terms energy: -668.371347 where: bonds (distance) C4'-P energy: -116.332 bonds (distance) P-C4' energy: -137.893 flat angles C4'-P-C4' energy: -149.231 flat angles P-C4'-P energy: -89.447 tors. eta vs tors. theta energy: -175.468 Dist. restrs. and SS energy: 0.000 (S_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: 193 Temperature: 1.350000 Total energy: -2017.860283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.860283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.860283 (E_RNA) where: Base-Base interactions energy: -1411.350 where: short stacking energy: -577.105 Base-Backbone interact. energy: -3.412 local terms energy: -603.098711 where: bonds (distance) C4'-P energy: -96.250 bonds (distance) P-C4' energy: -129.101 flat angles C4'-P-C4' energy: -135.226 flat angles P-C4'-P energy: -86.826 tors. eta vs tors. theta energy: -155.696 Dist. restrs. and SS energy: 0.000 (S_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: 194 Temperature: 0.900000 Total energy: -2722.728612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.728612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.728612 (E_RNA) where: Base-Base interactions energy: -1929.177 where: short stacking energy: -779.811 Base-Backbone interact. energy: -1.889 local terms energy: -791.662736 where: bonds (distance) C4'-P energy: -125.085 bonds (distance) P-C4' energy: -153.123 flat angles C4'-P-C4' energy: -161.557 flat angles P-C4'-P energy: -114.621 tors. eta vs tors. theta energy: -237.277 Dist. restrs. and SS energy: 0.000 (S_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: 194 Temperature: 0.950000 Total energy: -2693.745324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.745324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.745324 (E_RNA) where: Base-Base interactions energy: -1928.158 where: short stacking energy: -758.551 Base-Backbone interact. energy: -1.571 local terms energy: -764.016133 where: bonds (distance) C4'-P energy: -135.148 bonds (distance) P-C4' energy: -136.235 flat angles C4'-P-C4' energy: -159.493 flat angles P-C4'-P energy: -108.286 tors. eta vs tors. theta energy: -224.854 Dist. restrs. and SS energy: 0.000 (S_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: 194 Temperature: 1.000000 Total energy: -2636.191981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.191981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.191981 (E_RNA) where: Base-Base interactions energy: -1879.086 where: short stacking energy: -739.377 Base-Backbone interact. energy: -2.277 local terms energy: -754.829241 where: bonds (distance) C4'-P energy: -121.278 bonds (distance) P-C4' energy: -146.989 flat angles C4'-P-C4' energy: -160.684 flat angles P-C4'-P energy: -105.076 tors. eta vs tors. theta energy: -220.802 Dist. restrs. and SS energy: 0.000 (S_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: 194 Temperature: 1.050000 Total energy: -2592.152395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.152395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.152395 (E_RNA) where: Base-Base interactions energy: -1851.524 where: short stacking energy: -720.300 Base-Backbone interact. energy: -2.684 local terms energy: -737.944715 where: bonds (distance) C4'-P energy: -109.002 bonds (distance) P-C4' energy: -143.479 flat angles C4'-P-C4' energy: -163.718 flat angles P-C4'-P energy: -107.275 tors. eta vs tors. theta energy: -214.470 Dist. restrs. and SS energy: 0.000 (S_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: 194 Temperature: 1.100000 Total energy: -2533.415595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.415595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.415595 (E_RNA) where: Base-Base interactions energy: -1795.098 where: short stacking energy: -725.482 Base-Backbone interact. energy: 1.471 local terms energy: -739.788519 where: bonds (distance) C4'-P energy: -110.668 bonds (distance) P-C4' energy: -148.251 flat angles C4'-P-C4' energy: -155.660 flat angles P-C4'-P energy: -103.869 tors. eta vs tors. theta energy: -221.341 Dist. restrs. and SS energy: 0.000 (S_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: 194 Temperature: 1.150000 Total energy: -2493.311030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.311030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.311030 (E_RNA) where: Base-Base interactions energy: -1798.350 where: short stacking energy: -728.798 Base-Backbone interact. energy: -1.671 local terms energy: -693.289878 where: bonds (distance) C4'-P energy: -109.807 bonds (distance) P-C4' energy: -124.775 flat angles C4'-P-C4' energy: -147.817 flat angles P-C4'-P energy: -96.031 tors. eta vs tors. theta energy: -214.860 Dist. restrs. and SS energy: 0.000 (S_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: 194 Temperature: 1.200000 Total energy: -2436.513572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.513572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.513572 (E_RNA) where: Base-Base interactions energy: -1720.887 where: short stacking energy: -685.673 Base-Backbone interact. energy: -1.166 local terms energy: -714.461067 where: bonds (distance) C4'-P energy: -118.374 bonds (distance) P-C4' energy: -138.575 flat angles C4'-P-C4' energy: -154.856 flat angles P-C4'-P energy: -99.127 tors. eta vs tors. theta energy: -203.529 Dist. restrs. and SS energy: 0.000 (S_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: 194 Temperature: 1.250000 Total energy: -2396.511384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.511384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.511384 (E_RNA) where: Base-Base interactions energy: -1697.335 where: short stacking energy: -672.019 Base-Backbone interact. energy: 4.616 local terms energy: -703.792722 where: bonds (distance) C4'-P energy: -107.212 bonds (distance) P-C4' energy: -140.055 flat angles C4'-P-C4' energy: -158.592 flat angles P-C4'-P energy: -93.238 tors. eta vs tors. theta energy: -204.695 Dist. restrs. and SS energy: 0.000 (S_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: 194 Temperature: 1.300000 Total energy: -2217.470811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.470811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.470811 (E_RNA) where: Base-Base interactions energy: -1543.364 where: short stacking energy: -621.007 Base-Backbone interact. energy: -2.220 local terms energy: -671.887591 where: bonds (distance) C4'-P energy: -96.230 bonds (distance) P-C4' energy: -142.143 flat angles C4'-P-C4' energy: -151.698 flat angles P-C4'-P energy: -98.193 tors. eta vs tors. theta energy: -183.624 Dist. restrs. and SS energy: 0.000 (S_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: 194 Temperature: 1.350000 Total energy: -2044.029991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.029991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.029991 (E_RNA) where: Base-Base interactions energy: -1423.604 where: short stacking energy: -591.206 Base-Backbone interact. energy: 0.582 local terms energy: -621.007779 where: bonds (distance) C4'-P energy: -114.661 bonds (distance) P-C4' energy: -126.013 flat angles C4'-P-C4' energy: -138.010 flat angles P-C4'-P energy: -76.271 tors. eta vs tors. theta energy: -166.052 Dist. restrs. and SS energy: 0.000 (S_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: 195 Temperature: 0.900000 Total energy: -2711.418126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.418126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.418126 (E_RNA) where: Base-Base interactions energy: -1934.310 where: short stacking energy: -774.104 Base-Backbone interact. energy: -1.724 local terms energy: -775.383770 where: bonds (distance) C4'-P energy: -112.003 bonds (distance) P-C4' energy: -155.763 flat angles C4'-P-C4' energy: -166.711 flat angles P-C4'-P energy: -114.226 tors. eta vs tors. theta energy: -226.681 Dist. restrs. and SS energy: 0.000 (S_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: 195 Temperature: 0.950000 Total energy: -2686.159657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.159657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.159657 (E_RNA) where: Base-Base interactions energy: -1918.981 where: short stacking energy: -765.558 Base-Backbone interact. energy: -4.331 local terms energy: -762.847412 where: bonds (distance) C4'-P energy: -118.184 bonds (distance) P-C4' energy: -149.191 flat angles C4'-P-C4' energy: -159.462 flat angles P-C4'-P energy: -108.918 tors. eta vs tors. theta energy: -227.092 Dist. restrs. and SS energy: 0.000 (S_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: 195 Temperature: 1.000000 Total energy: -2658.670404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.670404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.670404 (E_RNA) where: Base-Base interactions energy: -1911.689 where: short stacking energy: -753.938 Base-Backbone interact. energy: -2.829 local terms energy: -744.152314 where: bonds (distance) C4'-P energy: -116.510 bonds (distance) P-C4' energy: -143.233 flat angles C4'-P-C4' energy: -157.743 flat angles P-C4'-P energy: -104.468 tors. eta vs tors. theta energy: -222.197 Dist. restrs. and SS energy: 0.000 (S_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: 195 Temperature: 1.050000 Total energy: -2590.351789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.351789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.351789 (E_RNA) where: Base-Base interactions energy: -1844.158 where: short stacking energy: -718.521 Base-Backbone interact. energy: -4.109 local terms energy: -742.085022 where: bonds (distance) C4'-P energy: -118.319 bonds (distance) P-C4' energy: -149.274 flat angles C4'-P-C4' energy: -148.290 flat angles P-C4'-P energy: -105.886 tors. eta vs tors. theta energy: -220.316 Dist. restrs. and SS energy: 0.000 (S_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: 195 Temperature: 1.100000 Total energy: -2530.635434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.635434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.635434 (E_RNA) where: Base-Base interactions energy: -1803.440 where: short stacking energy: -714.887 Base-Backbone interact. energy: 0.179 local terms energy: -727.374616 where: bonds (distance) C4'-P energy: -114.041 bonds (distance) P-C4' energy: -145.086 flat angles C4'-P-C4' energy: -149.214 flat angles P-C4'-P energy: -104.091 tors. eta vs tors. theta energy: -214.943 Dist. restrs. and SS energy: 0.000 (S_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: 195 Temperature: 1.150000 Total energy: -2496.016656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.016656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.016656 (E_RNA) where: Base-Base interactions energy: -1771.148 where: short stacking energy: -704.823 Base-Backbone interact. energy: -3.368 local terms energy: -721.500587 where: bonds (distance) C4'-P energy: -110.821 bonds (distance) P-C4' energy: -140.578 flat angles C4'-P-C4' energy: -155.178 flat angles P-C4'-P energy: -100.507 tors. eta vs tors. theta energy: -214.417 Dist. restrs. and SS energy: 0.000 (S_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: 195 Temperature: 1.200000 Total energy: -2437.732453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.732453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.732453 (E_RNA) where: Base-Base interactions energy: -1720.322 where: short stacking energy: -713.427 Base-Backbone interact. energy: -2.568 local terms energy: -714.843238 where: bonds (distance) C4'-P energy: -102.882 bonds (distance) P-C4' energy: -156.265 flat angles C4'-P-C4' energy: -145.985 flat angles P-C4'-P energy: -97.706 tors. eta vs tors. theta energy: -212.005 Dist. restrs. and SS energy: 0.000 (S_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: 195 Temperature: 1.250000 Total energy: -2357.189596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.189596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.189596 (E_RNA) where: Base-Base interactions energy: -1670.430 where: short stacking energy: -672.534 Base-Backbone interact. energy: -2.128 local terms energy: -684.631441 where: bonds (distance) C4'-P energy: -99.355 bonds (distance) P-C4' energy: -129.144 flat angles C4'-P-C4' energy: -149.452 flat angles P-C4'-P energy: -103.649 tors. eta vs tors. theta energy: -203.031 Dist. restrs. and SS energy: 0.000 (S_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: 195 Temperature: 1.300000 Total energy: -2223.788921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.788921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.788921 (E_RNA) where: Base-Base interactions energy: -1557.802 where: short stacking energy: -631.518 Base-Backbone interact. energy: 1.738 local terms energy: -667.725613 where: bonds (distance) C4'-P energy: -111.670 bonds (distance) P-C4' energy: -136.764 flat angles C4'-P-C4' energy: -142.310 flat angles P-C4'-P energy: -87.935 tors. eta vs tors. theta energy: -189.047 Dist. restrs. and SS energy: 0.000 (S_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: 195 Temperature: 1.350000 Total energy: -2043.202737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.202737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.202737 (E_RNA) where: Base-Base interactions energy: -1393.302 where: short stacking energy: -589.702 Base-Backbone interact. energy: -1.920 local terms energy: -647.981575 where: bonds (distance) C4'-P energy: -108.830 bonds (distance) P-C4' energy: -133.132 flat angles C4'-P-C4' energy: -137.355 flat angles P-C4'-P energy: -96.107 tors. eta vs tors. theta energy: -172.558 Dist. restrs. and SS energy: 0.000 (S_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: 196 Temperature: 0.900000 Total energy: -2710.283241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.283241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.283241 (E_RNA) where: Base-Base interactions energy: -1918.758 where: short stacking energy: -770.996 Base-Backbone interact. energy: -3.164 local terms energy: -788.361311 where: bonds (distance) C4'-P energy: -125.536 bonds (distance) P-C4' energy: -153.851 flat angles C4'-P-C4' energy: -164.457 flat angles P-C4'-P energy: -114.874 tors. eta vs tors. theta energy: -229.642 Dist. restrs. and SS energy: 0.000 (S_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: 196 Temperature: 0.950000 Total energy: -2678.975482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.975482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.975482 (E_RNA) where: Base-Base interactions energy: -1915.364 where: short stacking energy: -759.181 Base-Backbone interact. energy: -0.010 local terms energy: -763.601151 where: bonds (distance) C4'-P energy: -119.402 bonds (distance) P-C4' energy: -157.061 flat angles C4'-P-C4' energy: -159.677 flat angles P-C4'-P energy: -102.462 tors. eta vs tors. theta energy: -224.998 Dist. restrs. and SS energy: 0.000 (S_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: 196 Temperature: 1.000000 Total energy: -2622.550730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.550730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.550730 (E_RNA) where: Base-Base interactions energy: -1865.416 where: short stacking energy: -729.463 Base-Backbone interact. energy: -2.162 local terms energy: -754.972670 where: bonds (distance) C4'-P energy: -119.479 bonds (distance) P-C4' energy: -150.110 flat angles C4'-P-C4' energy: -158.840 flat angles P-C4'-P energy: -106.448 tors. eta vs tors. theta energy: -220.096 Dist. restrs. and SS energy: 0.000 (S_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: 196 Temperature: 1.050000 Total energy: -2600.293202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.293202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.293202 (E_RNA) where: Base-Base interactions energy: -1853.860 where: short stacking energy: -729.072 Base-Backbone interact. energy: 1.759 local terms energy: -748.191761 where: bonds (distance) C4'-P energy: -111.601 bonds (distance) P-C4' energy: -147.946 flat angles C4'-P-C4' energy: -165.098 flat angles P-C4'-P energy: -105.091 tors. eta vs tors. theta energy: -218.456 Dist. restrs. and SS energy: 0.000 (S_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: 196 Temperature: 1.100000 Total energy: -2498.704175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.704175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.704175 (E_RNA) where: Base-Base interactions energy: -1787.558 where: short stacking energy: -732.619 Base-Backbone interact. energy: -0.778 local terms energy: -710.367789 where: bonds (distance) C4'-P energy: -108.912 bonds (distance) P-C4' energy: -141.987 flat angles C4'-P-C4' energy: -149.473 flat angles P-C4'-P energy: -91.277 tors. eta vs tors. theta energy: -218.720 Dist. restrs. and SS energy: 0.000 (S_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: 196 Temperature: 1.150000 Total energy: -2501.139722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.139722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.139722 (E_RNA) where: Base-Base interactions energy: -1763.293 where: short stacking energy: -709.290 Base-Backbone interact. energy: -0.836 local terms energy: -737.009726 where: bonds (distance) C4'-P energy: -115.462 bonds (distance) P-C4' energy: -145.920 flat angles C4'-P-C4' energy: -150.855 flat angles P-C4'-P energy: -110.536 tors. eta vs tors. theta energy: -214.236 Dist. restrs. and SS energy: 0.000 (S_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: 196 Temperature: 1.200000 Total energy: -2428.078520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.078520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.078520 (E_RNA) where: Base-Base interactions energy: -1710.913 where: short stacking energy: -698.625 Base-Backbone interact. energy: -1.700 local terms energy: -715.465899 where: bonds (distance) C4'-P energy: -110.628 bonds (distance) P-C4' energy: -144.150 flat angles C4'-P-C4' energy: -152.874 flat angles P-C4'-P energy: -100.321 tors. eta vs tors. theta energy: -207.493 Dist. restrs. and SS energy: 0.000 (S_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: 196 Temperature: 1.250000 Total energy: -2328.852567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.852567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.852567 (E_RNA) where: Base-Base interactions energy: -1631.441 where: short stacking energy: -658.483 Base-Backbone interact. energy: -1.392 local terms energy: -696.019747 where: bonds (distance) C4'-P energy: -111.329 bonds (distance) P-C4' energy: -131.362 flat angles C4'-P-C4' energy: -151.570 flat angles P-C4'-P energy: -101.327 tors. eta vs tors. theta energy: -200.432 Dist. restrs. and SS energy: 0.000 (S_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: 196 Temperature: 1.300000 Total energy: -2264.256435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.256435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.256435 (E_RNA) where: Base-Base interactions energy: -1573.780 where: short stacking energy: -632.679 Base-Backbone interact. energy: -0.610 local terms energy: -689.866582 where: bonds (distance) C4'-P energy: -118.012 bonds (distance) P-C4' energy: -126.078 flat angles C4'-P-C4' energy: -151.201 flat angles P-C4'-P energy: -105.134 tors. eta vs tors. theta energy: -189.441 Dist. restrs. and SS energy: 0.000 (S_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: 196 Temperature: 1.350000 Total energy: -2064.852633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.852633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.852633 (E_RNA) where: Base-Base interactions energy: -1445.670 where: short stacking energy: -590.409 Base-Backbone interact. energy: -2.856 local terms energy: -616.326361 where: bonds (distance) C4'-P energy: -89.548 bonds (distance) P-C4' energy: -126.436 flat angles C4'-P-C4' energy: -139.164 flat angles P-C4'-P energy: -89.414 tors. eta vs tors. theta energy: -171.765 Dist. restrs. and SS energy: 0.000 (S_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: 197 Temperature: 0.900000 Total energy: -2701.974019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.974019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.974019 (E_RNA) where: Base-Base interactions energy: -1927.233 where: short stacking energy: -762.948 Base-Backbone interact. energy: -1.465 local terms energy: -773.275917 where: bonds (distance) C4'-P energy: -118.094 bonds (distance) P-C4' energy: -154.303 flat angles C4'-P-C4' energy: -155.925 flat angles P-C4'-P energy: -115.810 tors. eta vs tors. theta energy: -229.143 Dist. restrs. and SS energy: 0.000 (S_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: 197 Temperature: 0.950000 Total energy: -2676.766393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.766393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.766393 (E_RNA) where: Base-Base interactions energy: -1907.518 where: short stacking energy: -763.890 Base-Backbone interact. energy: -0.152 local terms energy: -769.096503 where: bonds (distance) C4'-P energy: -126.293 bonds (distance) P-C4' energy: -154.580 flat angles C4'-P-C4' energy: -156.959 flat angles P-C4'-P energy: -113.503 tors. eta vs tors. theta energy: -217.762 Dist. restrs. and SS energy: 0.000 (S_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: 197 Temperature: 1.000000 Total energy: -2680.222513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.222513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.222513 (E_RNA) where: Base-Base interactions energy: -1908.657 where: short stacking energy: -754.706 Base-Backbone interact. energy: -0.115 local terms energy: -771.450320 where: bonds (distance) C4'-P energy: -124.177 bonds (distance) P-C4' energy: -154.012 flat angles C4'-P-C4' energy: -160.256 flat angles P-C4'-P energy: -108.070 tors. eta vs tors. theta energy: -224.935 Dist. restrs. and SS energy: 0.000 (S_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: -2577.221511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.221511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.221511 (E_RNA) where: Base-Base interactions energy: -1825.898 where: short stacking energy: -710.551 Base-Backbone interact. energy: -1.549 local terms energy: -749.773749 where: bonds (distance) C4'-P energy: -112.877 bonds (distance) P-C4' energy: -156.208 flat angles C4'-P-C4' energy: -154.970 flat angles P-C4'-P energy: -112.087 tors. eta vs tors. theta energy: -213.633 Dist. restrs. and SS energy: 0.000 (S_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: 197 Temperature: 1.100000 Total energy: -2508.216855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.216855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.216855 (E_RNA) where: Base-Base interactions energy: -1771.085 where: short stacking energy: -716.485 Base-Backbone interact. energy: -1.185 local terms energy: -735.946909 where: bonds (distance) C4'-P energy: -108.813 bonds (distance) P-C4' energy: -153.490 flat angles C4'-P-C4' energy: -145.824 flat angles P-C4'-P energy: -108.390 tors. eta vs tors. theta energy: -219.429 Dist. restrs. and SS energy: 0.000 (S_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: 197 Temperature: 1.150000 Total energy: -2509.001772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.001772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.001772 (E_RNA) where: Base-Base interactions energy: -1775.066 where: short stacking energy: -702.819 Base-Backbone interact. energy: -2.540 local terms energy: -731.396160 where: bonds (distance) C4'-P energy: -120.094 bonds (distance) P-C4' energy: -143.686 flat angles C4'-P-C4' energy: -150.065 flat angles P-C4'-P energy: -103.908 tors. eta vs tors. theta energy: -213.643 Dist. restrs. and SS energy: 0.000 (S_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: 197 Temperature: 1.200000 Total energy: -2392.869136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.869136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.869136 (E_RNA) where: Base-Base interactions energy: -1697.320 where: short stacking energy: -664.927 Base-Backbone interact. energy: -0.319 local terms energy: -695.230134 where: bonds (distance) C4'-P energy: -111.671 bonds (distance) P-C4' energy: -151.038 flat angles C4'-P-C4' energy: -136.060 flat angles P-C4'-P energy: -107.329 tors. eta vs tors. theta energy: -189.132 Dist. restrs. and SS energy: 0.000 (S_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: 197 Temperature: 1.250000 Total energy: -2296.176378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.176378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.176378 (E_RNA) where: Base-Base interactions energy: -1603.885 where: short stacking energy: -656.302 Base-Backbone interact. energy: -3.153 local terms energy: -689.138659 where: bonds (distance) C4'-P energy: -96.507 bonds (distance) P-C4' energy: -137.208 flat angles C4'-P-C4' energy: -153.820 flat angles P-C4'-P energy: -104.869 tors. eta vs tors. theta energy: -196.734 Dist. restrs. and SS energy: 0.000 (S_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: 197 Temperature: 1.300000 Total energy: -2281.199918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.199918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.199918 (E_RNA) where: Base-Base interactions energy: -1607.092 where: short stacking energy: -642.590 Base-Backbone interact. energy: -1.418 local terms energy: -672.690169 where: bonds (distance) C4'-P energy: -93.308 bonds (distance) P-C4' energy: -137.359 flat angles C4'-P-C4' energy: -142.499 flat angles P-C4'-P energy: -103.670 tors. eta vs tors. theta energy: -195.854 Dist. restrs. and SS energy: 0.000 (S_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: 197 Temperature: 1.350000 Total energy: -2031.699471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.699471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.699471 (E_RNA) where: Base-Base interactions energy: -1367.776 where: short stacking energy: -580.430 Base-Backbone interact. energy: -1.271 local terms energy: -662.652879 where: bonds (distance) C4'-P energy: -109.792 bonds (distance) P-C4' energy: -139.851 flat angles C4'-P-C4' energy: -141.361 flat angles P-C4'-P energy: -100.606 tors. eta vs tors. theta energy: -171.042 Dist. restrs. and SS energy: 0.000 (S_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: 198 Temperature: 0.900000 Total energy: -2694.027741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.027741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.027741 (E_RNA) where: Base-Base interactions energy: -1927.941 where: short stacking energy: -743.588 Base-Backbone interact. energy: -1.885 local terms energy: -764.201425 where: bonds (distance) C4'-P energy: -121.148 bonds (distance) P-C4' energy: -144.386 flat angles C4'-P-C4' energy: -161.199 flat angles P-C4'-P energy: -115.094 tors. eta vs tors. theta energy: -222.375 Dist. restrs. and SS energy: 0.000 (S_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: 198 Temperature: 0.950000 Total energy: -2695.295976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.295976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.295976 (E_RNA) where: Base-Base interactions energy: -1916.030 where: short stacking energy: -771.339 Base-Backbone interact. energy: -2.248 local terms energy: -777.017648 where: bonds (distance) C4'-P energy: -109.667 bonds (distance) P-C4' energy: -158.482 flat angles C4'-P-C4' energy: -162.610 flat angles P-C4'-P energy: -115.451 tors. eta vs tors. theta energy: -230.808 Dist. restrs. and SS energy: 0.000 (S_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: 198 Temperature: 1.000000 Total energy: -2660.643863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.643863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.643863 (E_RNA) where: Base-Base interactions energy: -1883.455 where: short stacking energy: -752.273 Base-Backbone interact. energy: -1.725 local terms energy: -775.463729 where: bonds (distance) C4'-P energy: -128.822 bonds (distance) P-C4' energy: -154.759 flat angles C4'-P-C4' energy: -170.287 flat angles P-C4'-P energy: -98.133 tors. eta vs tors. theta energy: -223.462 Dist. restrs. and SS energy: 0.000 (S_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: 198 Temperature: 1.050000 Total energy: -2583.443891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.443891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.443891 (E_RNA) where: Base-Base interactions energy: -1851.786 where: short stacking energy: -726.549 Base-Backbone interact. energy: -2.827 local terms energy: -728.830840 where: bonds (distance) C4'-P energy: -123.534 bonds (distance) P-C4' energy: -145.518 flat angles C4'-P-C4' energy: -151.090 flat angles P-C4'-P energy: -95.391 tors. eta vs tors. theta energy: -213.299 Dist. restrs. and SS energy: 0.000 (S_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: 198 Temperature: 1.100000 Total energy: -2517.188889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.188889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.188889 (E_RNA) where: Base-Base interactions energy: -1787.913 where: short stacking energy: -714.795 Base-Backbone interact. energy: -1.339 local terms energy: -727.937152 where: bonds (distance) C4'-P energy: -111.077 bonds (distance) P-C4' energy: -144.151 flat angles C4'-P-C4' energy: -152.145 flat angles P-C4'-P energy: -106.385 tors. eta vs tors. theta energy: -214.179 Dist. restrs. and SS energy: 0.000 (S_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: 198 Temperature: 1.150000 Total energy: -2449.299575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.299575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.299575 (E_RNA) where: Base-Base interactions energy: -1749.540 where: short stacking energy: -711.937 Base-Backbone interact. energy: -0.680 local terms energy: -699.079536 where: bonds (distance) C4'-P energy: -104.595 bonds (distance) P-C4' energy: -134.941 flat angles C4'-P-C4' energy: -147.593 flat angles P-C4'-P energy: -99.923 tors. eta vs tors. theta energy: -212.029 Dist. restrs. and SS energy: 0.000 (S_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: 198 Temperature: 1.200000 Total energy: -2392.007262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.007262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.007262 (E_RNA) where: Base-Base interactions energy: -1696.717 where: short stacking energy: -675.967 Base-Backbone interact. energy: -1.391 local terms energy: -693.898844 where: bonds (distance) C4'-P energy: -111.150 bonds (distance) P-C4' energy: -139.782 flat angles C4'-P-C4' energy: -143.407 flat angles P-C4'-P energy: -101.046 tors. eta vs tors. theta energy: -198.513 Dist. restrs. and SS energy: 0.000 (S_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: 198 Temperature: 1.250000 Total energy: -2294.957027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.957027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.957027 (E_RNA) where: Base-Base interactions energy: -1608.318 where: short stacking energy: -661.256 Base-Backbone interact. energy: -1.651 local terms energy: -684.987269 where: bonds (distance) C4'-P energy: -102.849 bonds (distance) P-C4' energy: -131.802 flat angles C4'-P-C4' energy: -148.910 flat angles P-C4'-P energy: -105.875 tors. eta vs tors. theta energy: -195.551 Dist. restrs. and SS energy: 0.000 (S_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: 198 Temperature: 1.300000 Total energy: -2304.687920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.687920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.687920 (E_RNA) where: Base-Base interactions energy: -1630.860 where: short stacking energy: -652.509 Base-Backbone interact. energy: 0.170 local terms energy: -673.998266 where: bonds (distance) C4'-P energy: -103.257 bonds (distance) P-C4' energy: -140.442 flat angles C4'-P-C4' energy: -154.387 flat angles P-C4'-P energy: -83.074 tors. eta vs tors. theta energy: -192.838 Dist. restrs. and SS energy: 0.000 (S_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: 198 Temperature: 1.350000 Total energy: -2065.841706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.841706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.841706 (E_RNA) where: Base-Base interactions energy: -1420.721 where: short stacking energy: -579.106 Base-Backbone interact. energy: 0.012 local terms energy: -645.133200 where: bonds (distance) C4'-P energy: -111.239 bonds (distance) P-C4' energy: -133.312 flat angles C4'-P-C4' energy: -142.322 flat angles P-C4'-P energy: -88.411 tors. eta vs tors. theta energy: -169.850 Dist. restrs. and SS energy: 0.000 (S_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: 199 Temperature: 0.900000 Total energy: -2700.053712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.053712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.053712 (E_RNA) where: Base-Base interactions energy: -1930.168 where: short stacking energy: -754.770 Base-Backbone interact. energy: -5.228 local terms energy: -764.657008 where: bonds (distance) C4'-P energy: -120.491 bonds (distance) P-C4' energy: -155.643 flat angles C4'-P-C4' energy: -160.447 flat angles P-C4'-P energy: -105.829 tors. eta vs tors. theta energy: -222.247 Dist. restrs. and SS energy: 0.000 (S_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: 199 Temperature: 0.950000 Total energy: -2701.190300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.190300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.190300 (E_RNA) where: Base-Base interactions energy: -1923.122 where: short stacking energy: -773.145 Base-Backbone interact. energy: -1.602 local terms energy: -776.467031 where: bonds (distance) C4'-P energy: -121.069 bonds (distance) P-C4' energy: -151.293 flat angles C4'-P-C4' energy: -160.694 flat angles P-C4'-P energy: -114.579 tors. eta vs tors. theta energy: -228.833 Dist. restrs. and SS energy: 0.000 (S_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: 199 Temperature: 1.000000 Total energy: -2685.447897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.447897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.447897 (E_RNA) where: Base-Base interactions energy: -1920.701 where: short stacking energy: -749.150 Base-Backbone interact. energy: 1.494 local terms energy: -766.240816 where: bonds (distance) C4'-P energy: -124.155 bonds (distance) P-C4' energy: -151.491 flat angles C4'-P-C4' energy: -164.763 flat angles P-C4'-P energy: -101.864 tors. eta vs tors. theta energy: -223.968 Dist. restrs. and SS energy: 0.000 (S_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: 199 Temperature: 1.050000 Total energy: -2563.423732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.423732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.423732 (E_RNA) where: Base-Base interactions energy: -1822.649 where: short stacking energy: -715.984 Base-Backbone interact. energy: -3.095 local terms energy: -737.679836 where: bonds (distance) C4'-P energy: -117.910 bonds (distance) P-C4' energy: -149.050 flat angles C4'-P-C4' energy: -147.430 flat angles P-C4'-P energy: -111.057 tors. eta vs tors. theta energy: -212.234 Dist. restrs. and SS energy: 0.000 (S_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: 199 Temperature: 1.100000 Total energy: -2531.661841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.661841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.661841 (E_RNA) where: Base-Base interactions energy: -1793.059 where: short stacking energy: -713.108 Base-Backbone interact. energy: -0.246 local terms energy: -738.356950 where: bonds (distance) C4'-P energy: -118.628 bonds (distance) P-C4' energy: -156.362 flat angles C4'-P-C4' energy: -150.516 flat angles P-C4'-P energy: -107.351 tors. eta vs tors. theta energy: -205.500 Dist. restrs. and SS energy: 0.000 (S_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: -2440.168876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.168876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.168876 (E_RNA) where: Base-Base interactions energy: -1734.238 where: short stacking energy: -704.350 Base-Backbone interact. energy: 0.703 local terms energy: -706.633727 where: bonds (distance) C4'-P energy: -112.574 bonds (distance) P-C4' energy: -135.655 flat angles C4'-P-C4' energy: -145.389 flat angles P-C4'-P energy: -108.678 tors. eta vs tors. theta energy: -204.338 Dist. restrs. and SS energy: 0.000 (S_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: 199 Temperature: 1.200000 Total energy: -2369.959587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.959587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.959587 (E_RNA) where: Base-Base interactions energy: -1669.804 where: short stacking energy: -666.226 Base-Backbone interact. energy: -2.805 local terms energy: -697.350251 where: bonds (distance) C4'-P energy: -113.858 bonds (distance) P-C4' energy: -147.659 flat angles C4'-P-C4' energy: -152.657 flat angles P-C4'-P energy: -97.286 tors. eta vs tors. theta energy: -185.890 Dist. restrs. and SS energy: 0.000 (S_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: 199 Temperature: 1.250000 Total energy: -2372.895751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.895751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.895751 (E_RNA) where: Base-Base interactions energy: -1672.625 where: short stacking energy: -671.540 Base-Backbone interact. energy: -1.874 local terms energy: -698.397042 where: bonds (distance) C4'-P energy: -111.648 bonds (distance) P-C4' energy: -139.090 flat angles C4'-P-C4' energy: -151.463 flat angles P-C4'-P energy: -98.482 tors. eta vs tors. theta energy: -197.714 Dist. restrs. and SS energy: 0.000 (S_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: 199 Temperature: 1.300000 Total energy: -2275.496515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.496515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.496515 (E_RNA) where: Base-Base interactions energy: -1602.031 where: short stacking energy: -671.204 Base-Backbone interact. energy: 0.009 local terms energy: -673.475090 where: bonds (distance) C4'-P energy: -95.490 bonds (distance) P-C4' energy: -134.431 flat angles C4'-P-C4' energy: -146.977 flat angles P-C4'-P energy: -98.868 tors. eta vs tors. theta energy: -197.709 Dist. restrs. and SS energy: 0.000 (S_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: 199 Temperature: 1.350000 Total energy: -2028.513372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.513372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.513372 (E_RNA) where: Base-Base interactions energy: -1399.222 where: short stacking energy: -575.001 Base-Backbone interact. energy: -0.702 local terms energy: -628.589684 where: bonds (distance) C4'-P energy: -97.305 bonds (distance) P-C4' energy: -131.687 flat angles C4'-P-C4' energy: -141.603 flat angles P-C4'-P energy: -88.951 tors. eta vs tors. theta energy: -169.042 Dist. restrs. and SS energy: 0.000 (S_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: 200 Temperature: 0.900000 Total energy: -2709.776218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.776218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.776218 (E_RNA) where: Base-Base interactions energy: -1927.805 where: short stacking energy: -766.808 Base-Backbone interact. energy: -2.777 local terms energy: -779.193981 where: bonds (distance) C4'-P energy: -129.226 bonds (distance) P-C4' energy: -153.192 flat angles C4'-P-C4' energy: -160.225 flat angles P-C4'-P energy: -110.735 tors. eta vs tors. theta energy: -225.815 Dist. restrs. and SS energy: 0.000 (S_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: 200 Temperature: 0.950000 Total energy: -2685.496836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.496836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.496836 (E_RNA) where: Base-Base interactions energy: -1920.579 where: short stacking energy: -753.416 Base-Backbone interact. energy: -1.174 local terms energy: -763.744581 where: bonds (distance) C4'-P energy: -118.536 bonds (distance) P-C4' energy: -153.680 flat angles C4'-P-C4' energy: -157.234 flat angles P-C4'-P energy: -114.241 tors. eta vs tors. theta energy: -220.054 Dist. restrs. and SS energy: 0.000 (S_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: 200 Temperature: 1.000000 Total energy: -2671.876216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.876216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.876216 (E_RNA) where: Base-Base interactions energy: -1902.258 where: short stacking energy: -761.519 Base-Backbone interact. energy: -2.048 local terms energy: -767.570251 where: bonds (distance) C4'-P energy: -123.099 bonds (distance) P-C4' energy: -153.789 flat angles C4'-P-C4' energy: -154.124 flat angles P-C4'-P energy: -112.124 tors. eta vs tors. theta energy: -224.434 Dist. restrs. and SS energy: 0.000 (S_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: 200 Temperature: 1.050000 Total energy: -2586.091723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.091723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.091723 (E_RNA) where: Base-Base interactions energy: -1830.259 where: short stacking energy: -723.661 Base-Backbone interact. energy: -2.305 local terms energy: -753.527961 where: bonds (distance) C4'-P energy: -120.063 bonds (distance) P-C4' energy: -157.813 flat angles C4'-P-C4' energy: -156.798 flat angles P-C4'-P energy: -105.106 tors. eta vs tors. theta energy: -213.748 Dist. restrs. and SS energy: 0.000 (S_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: 200 Temperature: 1.100000 Total energy: -2488.231505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.231505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.231505 (E_RNA) where: Base-Base interactions energy: -1734.796 where: short stacking energy: -697.984 Base-Backbone interact. energy: -0.316 local terms energy: -753.118670 where: bonds (distance) C4'-P energy: -114.845 bonds (distance) P-C4' energy: -153.767 flat angles C4'-P-C4' energy: -160.046 flat angles P-C4'-P energy: -107.396 tors. eta vs tors. theta energy: -217.066 Dist. restrs. and SS energy: 0.000 (S_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: 200 Temperature: 1.150000 Total energy: -2414.423148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.423148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.423148 (E_RNA) where: Base-Base interactions energy: -1679.808 where: short stacking energy: -678.470 Base-Backbone interact. energy: -0.996 local terms energy: -733.618617 where: bonds (distance) C4'-P energy: -126.393 bonds (distance) P-C4' energy: -150.308 flat angles C4'-P-C4' energy: -145.971 flat angles P-C4'-P energy: -102.913 tors. eta vs tors. theta energy: -208.034 Dist. restrs. and SS energy: 0.000 (S_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: 200 Temperature: 1.200000 Total energy: -2399.726081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.726081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.726081 (E_RNA) where: Base-Base interactions energy: -1692.659 where: short stacking energy: -680.385 Base-Backbone interact. energy: 0.278 local terms energy: -707.344470 where: bonds (distance) C4'-P energy: -111.454 bonds (distance) P-C4' energy: -148.154 flat angles C4'-P-C4' energy: -146.290 flat angles P-C4'-P energy: -103.969 tors. eta vs tors. theta energy: -197.478 Dist. restrs. and SS energy: 0.000 (S_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: 200 Temperature: 1.250000 Total energy: -2327.782941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.782941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.782941 (E_RNA) where: Base-Base interactions energy: -1634.804 where: short stacking energy: -660.339 Base-Backbone interact. energy: -1.984 local terms energy: -690.994367 where: bonds (distance) C4'-P energy: -118.782 bonds (distance) P-C4' energy: -146.336 flat angles C4'-P-C4' energy: -140.375 flat angles P-C4'-P energy: -98.673 tors. eta vs tors. theta energy: -186.828 Dist. restrs. and SS energy: 0.000 (S_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: 200 Temperature: 1.300000 Total energy: -2250.155161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.155161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.155161 (E_RNA) where: Base-Base interactions energy: -1594.596 where: short stacking energy: -631.901 Base-Backbone interact. energy: 0.264 local terms energy: -655.823544 where: bonds (distance) C4'-P energy: -94.047 bonds (distance) P-C4' energy: -143.584 flat angles C4'-P-C4' energy: -128.109 flat angles P-C4'-P energy: -104.414 tors. eta vs tors. theta energy: -185.670 Dist. restrs. and SS energy: 0.000 (S_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: -2046.511573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.511573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.511573 (E_RNA) where: Base-Base interactions energy: -1406.243 where: short stacking energy: -569.550 Base-Backbone interact. energy: -2.516 local terms energy: -637.752271 where: bonds (distance) C4'-P energy: -98.063 bonds (distance) P-C4' energy: -138.453 flat angles C4'-P-C4' energy: -143.737 flat angles P-C4'-P energy: -93.956 tors. eta vs tors. theta energy: -163.542 Dist. restrs. and SS energy: 0.000 (S_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: 201 Temperature: 0.900000 Total energy: -2700.461265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.461265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.461265 (E_RNA) where: Base-Base interactions energy: -1913.927 where: short stacking energy: -742.189 Base-Backbone interact. energy: -2.359 local terms energy: -784.174939 where: bonds (distance) C4'-P energy: -127.788 bonds (distance) P-C4' energy: -146.746 flat angles C4'-P-C4' energy: -163.532 flat angles P-C4'-P energy: -113.480 tors. eta vs tors. theta energy: -232.629 Dist. restrs. and SS energy: 0.000 (S_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: 201 Temperature: 0.950000 Total energy: -2680.807454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.807454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.807454 (E_RNA) where: Base-Base interactions energy: -1898.790 where: short stacking energy: -757.485 Base-Backbone interact. energy: -1.257 local terms energy: -780.760508 where: bonds (distance) C4'-P energy: -123.501 bonds (distance) P-C4' energy: -146.510 flat angles C4'-P-C4' energy: -166.891 flat angles P-C4'-P energy: -114.176 tors. eta vs tors. theta energy: -229.683 Dist. restrs. and SS energy: 0.000 (S_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: 201 Temperature: 1.000000 Total energy: -2650.979677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.979677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.979677 (E_RNA) where: Base-Base interactions energy: -1922.853 where: short stacking energy: -746.552 Base-Backbone interact. energy: -4.814 local terms energy: -723.312779 where: bonds (distance) C4'-P energy: -119.241 bonds (distance) P-C4' energy: -145.818 flat angles C4'-P-C4' energy: -144.621 flat angles P-C4'-P energy: -97.803 tors. eta vs tors. theta energy: -215.830 Dist. restrs. and SS energy: 0.000 (S_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: 201 Temperature: 1.050000 Total energy: -2580.655883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.655883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.655883 (E_RNA) where: Base-Base interactions energy: -1819.390 where: short stacking energy: -719.549 Base-Backbone interact. energy: -2.223 local terms energy: -759.043428 where: bonds (distance) C4'-P energy: -130.155 bonds (distance) P-C4' energy: -154.701 flat angles C4'-P-C4' energy: -152.477 flat angles P-C4'-P energy: -108.836 tors. eta vs tors. theta energy: -212.875 Dist. restrs. and SS energy: 0.000 (S_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: 201 Temperature: 1.100000 Total energy: -2486.623950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.623950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.623950 (E_RNA) where: Base-Base interactions energy: -1758.520 where: short stacking energy: -722.909 Base-Backbone interact. energy: 2.870 local terms energy: -730.973884 where: bonds (distance) C4'-P energy: -116.065 bonds (distance) P-C4' energy: -149.563 flat angles C4'-P-C4' energy: -153.827 flat angles P-C4'-P energy: -107.808 tors. eta vs tors. theta energy: -203.711 Dist. restrs. and SS energy: 0.000 (S_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: 201 Temperature: 1.150000 Total energy: -2461.217693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.217693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.217693 (E_RNA) where: Base-Base interactions energy: -1741.889 where: short stacking energy: -698.909 Base-Backbone interact. energy: -1.232 local terms energy: -718.096841 where: bonds (distance) C4'-P energy: -107.965 bonds (distance) P-C4' energy: -143.333 flat angles C4'-P-C4' energy: -154.602 flat angles P-C4'-P energy: -100.353 tors. eta vs tors. theta energy: -211.844 Dist. restrs. and SS energy: 0.000 (S_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: 201 Temperature: 1.200000 Total energy: -2342.977989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.977989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.977989 (E_RNA) where: Base-Base interactions energy: -1666.011 where: short stacking energy: -672.617 Base-Backbone interact. energy: 0.289 local terms energy: -677.255610 where: bonds (distance) C4'-P energy: -112.935 bonds (distance) P-C4' energy: -132.165 flat angles C4'-P-C4' energy: -142.571 flat angles P-C4'-P energy: -95.455 tors. eta vs tors. theta energy: -194.129 Dist. restrs. and SS energy: 0.000 (S_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: 201 Temperature: 1.250000 Total energy: -2313.489992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.489992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.489992 (E_RNA) where: Base-Base interactions energy: -1618.592 where: short stacking energy: -642.250 Base-Backbone interact. energy: -2.799 local terms energy: -692.098821 where: bonds (distance) C4'-P energy: -110.334 bonds (distance) P-C4' energy: -138.605 flat angles C4'-P-C4' energy: -144.511 flat angles P-C4'-P energy: -106.215 tors. eta vs tors. theta energy: -192.434 Dist. restrs. and SS energy: 0.000 (S_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: 201 Temperature: 1.300000 Total energy: -2229.514683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.514683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.514683 (E_RNA) where: Base-Base interactions energy: -1566.410 where: short stacking energy: -651.011 Base-Backbone interact. energy: -1.976 local terms energy: -661.128511 where: bonds (distance) C4'-P energy: -103.480 bonds (distance) P-C4' energy: -135.892 flat angles C4'-P-C4' energy: -141.874 flat angles P-C4'-P energy: -94.497 tors. eta vs tors. theta energy: -185.386 Dist. restrs. and SS energy: 0.000 (S_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: -2047.321718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.321718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.321718 (E_RNA) where: Base-Base interactions energy: -1391.908 where: short stacking energy: -568.512 Base-Backbone interact. energy: -2.600 local terms energy: -652.814179 where: bonds (distance) C4'-P energy: -113.781 bonds (distance) P-C4' energy: -142.731 flat angles C4'-P-C4' energy: -145.129 flat angles P-C4'-P energy: -92.303 tors. eta vs tors. theta energy: -158.870 Dist. restrs. and SS energy: 0.000 (S_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: 202 Temperature: 0.900000 Total energy: -2690.140953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.140953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.140953 (E_RNA) where: Base-Base interactions energy: -1917.864 where: short stacking energy: -770.509 Base-Backbone interact. energy: -2.969 local terms energy: -769.308895 where: bonds (distance) C4'-P energy: -118.315 bonds (distance) P-C4' energy: -151.470 flat angles C4'-P-C4' energy: -157.447 flat angles P-C4'-P energy: -108.680 tors. eta vs tors. theta energy: -233.397 Dist. restrs. and SS energy: 0.000 (S_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: 202 Temperature: 0.950000 Total energy: -2692.424889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.424889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.424889 (E_RNA) where: Base-Base interactions energy: -1921.079 where: short stacking energy: -769.715 Base-Backbone interact. energy: 6.724 local terms energy: -778.070314 where: bonds (distance) C4'-P energy: -118.227 bonds (distance) P-C4' energy: -155.123 flat angles C4'-P-C4' energy: -160.842 flat angles P-C4'-P energy: -114.031 tors. eta vs tors. theta energy: -229.847 Dist. restrs. and SS energy: 0.000 (S_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: 202 Temperature: 1.000000 Total energy: -2657.592783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.592783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.592783 (E_RNA) where: Base-Base interactions energy: -1910.969 where: short stacking energy: -755.715 Base-Backbone interact. energy: -2.939 local terms energy: -743.684867 where: bonds (distance) C4'-P energy: -110.180 bonds (distance) P-C4' energy: -149.829 flat angles C4'-P-C4' energy: -156.038 flat angles P-C4'-P energy: -105.637 tors. eta vs tors. theta energy: -222.001 Dist. restrs. and SS energy: 0.000 (S_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: 202 Temperature: 1.050000 Total energy: -2588.145824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.145824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.145824 (E_RNA) where: Base-Base interactions energy: -1831.334 where: short stacking energy: -741.582 Base-Backbone interact. energy: -1.329 local terms energy: -755.483349 where: bonds (distance) C4'-P energy: -122.270 bonds (distance) P-C4' energy: -144.489 flat angles C4'-P-C4' energy: -160.269 flat angles P-C4'-P energy: -108.824 tors. eta vs tors. theta energy: -219.631 Dist. restrs. and SS energy: 0.000 (S_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: 202 Temperature: 1.100000 Total energy: -2517.379070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.379070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.379070 (E_RNA) where: Base-Base interactions energy: -1784.545 where: short stacking energy: -725.493 Base-Backbone interact. energy: -0.778 local terms energy: -732.056162 where: bonds (distance) C4'-P energy: -111.469 bonds (distance) P-C4' energy: -139.428 flat angles C4'-P-C4' energy: -163.346 flat angles P-C4'-P energy: -107.945 tors. eta vs tors. theta energy: -209.869 Dist. restrs. and SS energy: 0.000 (S_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: 202 Temperature: 1.150000 Total energy: -2464.083818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.083818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.083818 (E_RNA) where: Base-Base interactions energy: -1725.192 where: short stacking energy: -689.546 Base-Backbone interact. energy: -1.299 local terms energy: -737.592527 where: bonds (distance) C4'-P energy: -110.971 bonds (distance) P-C4' energy: -153.196 flat angles C4'-P-C4' energy: -151.089 flat angles P-C4'-P energy: -105.788 tors. eta vs tors. theta energy: -216.548 Dist. restrs. and SS energy: 0.000 (S_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: 202 Temperature: 1.200000 Total energy: -2369.082235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.082235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.082235 (E_RNA) where: Base-Base interactions energy: -1684.468 where: short stacking energy: -665.444 Base-Backbone interact. energy: -1.532 local terms energy: -683.082485 where: bonds (distance) C4'-P energy: -105.538 bonds (distance) P-C4' energy: -139.821 flat angles C4'-P-C4' energy: -146.863 flat angles P-C4'-P energy: -93.583 tors. eta vs tors. theta energy: -197.277 Dist. restrs. and SS energy: 0.000 (S_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: 202 Temperature: 1.250000 Total energy: -2333.830603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.830603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.830603 (E_RNA) where: Base-Base interactions energy: -1642.476 where: short stacking energy: -659.198 Base-Backbone interact. energy: -0.308 local terms energy: -691.047143 where: bonds (distance) C4'-P energy: -91.678 bonds (distance) P-C4' energy: -143.228 flat angles C4'-P-C4' energy: -156.468 flat angles P-C4'-P energy: -98.239 tors. eta vs tors. theta energy: -201.435 Dist. restrs. and SS energy: 0.000 (S_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: 202 Temperature: 1.300000 Total energy: -2244.766087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.766087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.766087 (E_RNA) where: Base-Base interactions energy: -1593.249 where: short stacking energy: -657.053 Base-Backbone interact. energy: -0.267 local terms energy: -651.249883 where: bonds (distance) C4'-P energy: -103.926 bonds (distance) P-C4' energy: -130.829 flat angles C4'-P-C4' energy: -138.264 flat angles P-C4'-P energy: -97.156 tors. eta vs tors. theta energy: -181.074 Dist. restrs. and SS energy: 0.000 (S_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: 202 Temperature: 1.350000 Total energy: -2051.248199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.248199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.248199 (E_RNA) where: Base-Base interactions energy: -1415.208 where: short stacking energy: -578.129 Base-Backbone interact. energy: -1.511 local terms energy: -634.529690 where: bonds (distance) C4'-P energy: -84.239 bonds (distance) P-C4' energy: -145.635 flat angles C4'-P-C4' energy: -138.351 flat angles P-C4'-P energy: -94.607 tors. eta vs tors. theta energy: -171.698 Dist. restrs. and SS energy: 0.000 (S_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: 203 Temperature: 0.900000 Total energy: -2719.107228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.107228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.107228 (E_RNA) where: Base-Base interactions energy: -1925.930 where: short stacking energy: -767.993 Base-Backbone interact. energy: -3.492 local terms energy: -789.685640 where: bonds (distance) C4'-P energy: -126.899 bonds (distance) P-C4' energy: -158.064 flat angles C4'-P-C4' energy: -165.862 flat angles P-C4'-P energy: -110.130 tors. eta vs tors. theta energy: -228.731 Dist. restrs. and SS energy: 0.000 (S_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: 203 Temperature: 0.950000 Total energy: -2653.075729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.075729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.075729 (E_RNA) where: Base-Base interactions energy: -1880.739 where: short stacking energy: -750.925 Base-Backbone interact. energy: -2.310 local terms energy: -770.027435 where: bonds (distance) C4'-P energy: -118.020 bonds (distance) P-C4' energy: -152.839 flat angles C4'-P-C4' energy: -164.634 flat angles P-C4'-P energy: -112.788 tors. eta vs tors. theta energy: -221.746 Dist. restrs. and SS energy: 0.000 (S_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: 203 Temperature: 1.000000 Total energy: -2655.904434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.904434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.904434 (E_RNA) where: Base-Base interactions energy: -1884.553 where: short stacking energy: -751.518 Base-Backbone interact. energy: -3.159 local terms energy: -768.192420 where: bonds (distance) C4'-P energy: -119.396 bonds (distance) P-C4' energy: -150.891 flat angles C4'-P-C4' energy: -163.915 flat angles P-C4'-P energy: -112.790 tors. eta vs tors. theta energy: -221.200 Dist. restrs. and SS energy: 0.000 (S_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: 203 Temperature: 1.050000 Total energy: -2578.136148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.136148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.136148 (E_RNA) where: Base-Base interactions energy: -1821.193 where: short stacking energy: -724.938 Base-Backbone interact. energy: -0.176 local terms energy: -756.767568 where: bonds (distance) C4'-P energy: -111.815 bonds (distance) P-C4' energy: -149.951 flat angles C4'-P-C4' energy: -159.404 flat angles P-C4'-P energy: -110.861 tors. eta vs tors. theta energy: -224.737 Dist. restrs. and SS energy: 0.000 (S_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: 203 Temperature: 1.100000 Total energy: -2507.061105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.061105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.061105 (E_RNA) where: Base-Base interactions energy: -1778.549 where: short stacking energy: -712.317 Base-Backbone interact. energy: -2.395 local terms energy: -726.117621 where: bonds (distance) C4'-P energy: -111.191 bonds (distance) P-C4' energy: -142.140 flat angles C4'-P-C4' energy: -151.234 flat angles P-C4'-P energy: -104.979 tors. eta vs tors. theta energy: -216.574 Dist. restrs. and SS energy: 0.000 (S_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: 203 Temperature: 1.150000 Total energy: -2457.792185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.792185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.792185 (E_RNA) where: Base-Base interactions energy: -1723.526 where: short stacking energy: -695.340 Base-Backbone interact. energy: -1.244 local terms energy: -733.021709 where: bonds (distance) C4'-P energy: -112.743 bonds (distance) P-C4' energy: -151.045 flat angles C4'-P-C4' energy: -150.661 flat angles P-C4'-P energy: -110.412 tors. eta vs tors. theta energy: -208.162 Dist. restrs. and SS energy: 0.000 (S_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: 203 Temperature: 1.200000 Total energy: -2415.390230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.390230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.390230 (E_RNA) where: Base-Base interactions energy: -1708.068 where: short stacking energy: -692.678 Base-Backbone interact. energy: -0.213 local terms energy: -707.108944 where: bonds (distance) C4'-P energy: -106.588 bonds (distance) P-C4' energy: -137.839 flat angles C4'-P-C4' energy: -147.409 flat angles P-C4'-P energy: -106.525 tors. eta vs tors. theta energy: -208.747 Dist. restrs. and SS energy: 0.000 (S_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: 203 Temperature: 1.250000 Total energy: -2396.177189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.177189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.177189 (E_RNA) where: Base-Base interactions energy: -1691.084 where: short stacking energy: -674.945 Base-Backbone interact. energy: -1.726 local terms energy: -703.366298 where: bonds (distance) C4'-P energy: -101.891 bonds (distance) P-C4' energy: -145.018 flat angles C4'-P-C4' energy: -149.905 flat angles P-C4'-P energy: -104.634 tors. eta vs tors. theta energy: -201.918 Dist. restrs. and SS energy: 0.000 (S_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: 203 Temperature: 1.300000 Total energy: -2242.677802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.677802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.677802 (E_RNA) where: Base-Base interactions energy: -1575.952 where: short stacking energy: -633.782 Base-Backbone interact. energy: -1.046 local terms energy: -665.679188 where: bonds (distance) C4'-P energy: -100.493 bonds (distance) P-C4' energy: -147.132 flat angles C4'-P-C4' energy: -145.215 flat angles P-C4'-P energy: -88.307 tors. eta vs tors. theta energy: -184.531 Dist. restrs. and SS energy: 0.000 (S_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: 203 Temperature: 1.350000 Total energy: -2020.033098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.033098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.033098 (E_RNA) where: Base-Base interactions energy: -1410.650 where: short stacking energy: -568.620 Base-Backbone interact. energy: -2.301 local terms energy: -607.081796 where: bonds (distance) C4'-P energy: -93.852 bonds (distance) P-C4' energy: -133.836 flat angles C4'-P-C4' energy: -133.812 flat angles P-C4'-P energy: -88.751 tors. eta vs tors. theta energy: -156.830 Dist. restrs. and SS energy: 0.000 (S_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: 204 Temperature: 0.900000 Total energy: -2701.576231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.576231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.576231 (E_RNA) where: Base-Base interactions energy: -1908.623 where: short stacking energy: -761.574 Base-Backbone interact. energy: -2.613 local terms energy: -790.339968 where: bonds (distance) C4'-P energy: -131.583 bonds (distance) P-C4' energy: -154.695 flat angles C4'-P-C4' energy: -165.168 flat angles P-C4'-P energy: -113.419 tors. eta vs tors. theta energy: -225.475 Dist. restrs. and SS energy: 0.000 (S_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: 204 Temperature: 0.950000 Total energy: -2680.929483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.929483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.929483 (E_RNA) where: Base-Base interactions energy: -1900.705 where: short stacking energy: -756.240 Base-Backbone interact. energy: -1.583 local terms energy: -778.640957 where: bonds (distance) C4'-P energy: -116.494 bonds (distance) P-C4' energy: -155.320 flat angles C4'-P-C4' energy: -165.643 flat angles P-C4'-P energy: -113.054 tors. eta vs tors. theta energy: -228.130 Dist. restrs. and SS energy: 0.000 (S_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: 204 Temperature: 1.000000 Total energy: -2636.723383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.723383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.723383 (E_RNA) where: Base-Base interactions energy: -1869.994 where: short stacking energy: -750.863 Base-Backbone interact. energy: -2.246 local terms energy: -764.483860 where: bonds (distance) C4'-P energy: -130.140 bonds (distance) P-C4' energy: -144.851 flat angles C4'-P-C4' energy: -155.040 flat angles P-C4'-P energy: -110.198 tors. eta vs tors. theta energy: -224.254 Dist. restrs. and SS energy: 0.000 (S_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: -2568.846978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.846978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.846978 (E_RNA) where: Base-Base interactions energy: -1821.720 where: short stacking energy: -722.010 Base-Backbone interact. energy: -1.258 local terms energy: -745.869100 where: bonds (distance) C4'-P energy: -121.341 bonds (distance) P-C4' energy: -151.866 flat angles C4'-P-C4' energy: -159.298 flat angles P-C4'-P energy: -100.372 tors. eta vs tors. theta energy: -212.993 Dist. restrs. and SS energy: 0.000 (S_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: 204 Temperature: 1.100000 Total energy: -2499.557881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.557881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.557881 (E_RNA) where: Base-Base interactions energy: -1787.568 where: short stacking energy: -719.307 Base-Backbone interact. energy: 0.724 local terms energy: -712.714168 where: bonds (distance) C4'-P energy: -107.635 bonds (distance) P-C4' energy: -154.291 flat angles C4'-P-C4' energy: -149.867 flat angles P-C4'-P energy: -90.693 tors. eta vs tors. theta energy: -210.227 Dist. restrs. and SS energy: 0.000 (S_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: 204 Temperature: 1.150000 Total energy: -2459.131513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.131513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.131513 (E_RNA) where: Base-Base interactions energy: -1738.711 where: short stacking energy: -684.352 Base-Backbone interact. energy: -1.463 local terms energy: -718.956726 where: bonds (distance) C4'-P energy: -121.628 bonds (distance) P-C4' energy: -142.664 flat angles C4'-P-C4' energy: -141.405 flat angles P-C4'-P energy: -100.787 tors. eta vs tors. theta energy: -212.472 Dist. restrs. and SS energy: 0.000 (S_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: 204 Temperature: 1.200000 Total energy: -2422.546541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.546541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.546541 (E_RNA) where: Base-Base interactions energy: -1715.084 where: short stacking energy: -683.719 Base-Backbone interact. energy: -3.192 local terms energy: -704.271082 where: bonds (distance) C4'-P energy: -97.566 bonds (distance) P-C4' energy: -145.398 flat angles C4'-P-C4' energy: -149.486 flat angles P-C4'-P energy: -101.314 tors. eta vs tors. theta energy: -210.507 Dist. restrs. and SS energy: 0.000 (S_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: 204 Temperature: 1.250000 Total energy: -2336.920163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.920163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.920163 (E_RNA) where: Base-Base interactions energy: -1644.334 where: short stacking energy: -673.560 Base-Backbone interact. energy: -2.264 local terms energy: -690.321945 where: bonds (distance) C4'-P energy: -103.592 bonds (distance) P-C4' energy: -146.698 flat angles C4'-P-C4' energy: -154.824 flat angles P-C4'-P energy: -96.668 tors. eta vs tors. theta energy: -188.540 Dist. restrs. and SS energy: 0.000 (S_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: 204 Temperature: 1.300000 Total energy: -2243.055423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.055423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.055423 (E_RNA) where: Base-Base interactions energy: -1572.384 where: short stacking energy: -653.525 Base-Backbone interact. energy: -1.214 local terms energy: -669.456813 where: bonds (distance) C4'-P energy: -95.606 bonds (distance) P-C4' energy: -132.285 flat angles C4'-P-C4' energy: -147.870 flat angles P-C4'-P energy: -91.961 tors. eta vs tors. theta energy: -201.734 Dist. restrs. and SS energy: 0.000 (S_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: 204 Temperature: 1.350000 Total energy: -2014.806377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.806377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.806377 (E_RNA) where: Base-Base interactions energy: -1406.163 where: short stacking energy: -594.210 Base-Backbone interact. energy: -1.315 local terms energy: -607.327656 where: bonds (distance) C4'-P energy: -105.116 bonds (distance) P-C4' energy: -123.373 flat angles C4'-P-C4' energy: -136.032 flat angles P-C4'-P energy: -82.007 tors. eta vs tors. theta energy: -160.800 Dist. restrs. and SS energy: 0.000 (S_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: 205 Temperature: 0.900000 Total energy: -2688.492669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.492669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.492669 (E_RNA) where: Base-Base interactions energy: -1922.531 where: short stacking energy: -755.437 Base-Backbone interact. energy: 1.698 local terms energy: -767.659810 where: bonds (distance) C4'-P energy: -123.340 bonds (distance) P-C4' energy: -150.142 flat angles C4'-P-C4' energy: -160.799 flat angles P-C4'-P energy: -110.495 tors. eta vs tors. theta energy: -222.883 Dist. restrs. and SS energy: 0.000 (S_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: -2686.235211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.235211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.235211 (E_RNA) where: Base-Base interactions energy: -1911.759 where: short stacking energy: -762.759 Base-Backbone interact. energy: -3.567 local terms energy: -770.909578 where: bonds (distance) C4'-P energy: -124.524 bonds (distance) P-C4' energy: -147.800 flat angles C4'-P-C4' energy: -165.570 flat angles P-C4'-P energy: -105.622 tors. eta vs tors. theta energy: -227.393 Dist. restrs. and SS energy: 0.000 (S_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: 205 Temperature: 1.000000 Total energy: -2641.055843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.055843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.055843 (E_RNA) where: Base-Base interactions energy: -1880.785 where: short stacking energy: -743.170 Base-Backbone interact. energy: -2.990 local terms energy: -757.280350 where: bonds (distance) C4'-P energy: -115.025 bonds (distance) P-C4' energy: -150.550 flat angles C4'-P-C4' energy: -160.951 flat angles P-C4'-P energy: -105.109 tors. eta vs tors. theta energy: -225.644 Dist. restrs. and SS energy: 0.000 (S_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: 205 Temperature: 1.050000 Total energy: -2559.217908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.217908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.217908 (E_RNA) where: Base-Base interactions energy: -1822.494 where: short stacking energy: -735.941 Base-Backbone interact. energy: -1.872 local terms energy: -734.850942 where: bonds (distance) C4'-P energy: -119.745 bonds (distance) P-C4' energy: -148.184 flat angles C4'-P-C4' energy: -152.713 flat angles P-C4'-P energy: -91.869 tors. eta vs tors. theta energy: -222.340 Dist. restrs. and SS energy: 0.000 (S_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: -2560.755719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.755719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.755719 (E_RNA) where: Base-Base interactions energy: -1831.817 where: short stacking energy: -724.709 Base-Backbone interact. energy: -1.756 local terms energy: -727.182754 where: bonds (distance) C4'-P energy: -113.262 bonds (distance) P-C4' energy: -151.512 flat angles C4'-P-C4' energy: -148.294 flat angles P-C4'-P energy: -95.832 tors. eta vs tors. theta energy: -218.283 Dist. restrs. and SS energy: 0.000 (S_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: 205 Temperature: 1.150000 Total energy: -2481.937360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.937360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.937360 (E_RNA) where: Base-Base interactions energy: -1744.088 where: short stacking energy: -714.034 Base-Backbone interact. energy: -1.315 local terms energy: -736.535016 where: bonds (distance) C4'-P energy: -113.130 bonds (distance) P-C4' energy: -147.649 flat angles C4'-P-C4' energy: -158.911 flat angles P-C4'-P energy: -104.130 tors. eta vs tors. theta energy: -212.714 Dist. restrs. and SS energy: 0.000 (S_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: -2437.779450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.779450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.779450 (E_RNA) where: Base-Base interactions energy: -1746.528 where: short stacking energy: -704.731 Base-Backbone interact. energy: 2.336 local terms energy: -693.587581 where: bonds (distance) C4'-P energy: -112.976 bonds (distance) P-C4' energy: -134.926 flat angles C4'-P-C4' energy: -135.518 flat angles P-C4'-P energy: -100.763 tors. eta vs tors. theta energy: -209.404 Dist. restrs. and SS energy: 0.000 (S_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: 205 Temperature: 1.250000 Total energy: -2362.410470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.410470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.410470 (E_RNA) where: Base-Base interactions energy: -1683.372 where: short stacking energy: -676.951 Base-Backbone interact. energy: -3.056 local terms energy: -675.982593 where: bonds (distance) C4'-P energy: -101.883 bonds (distance) P-C4' energy: -137.172 flat angles C4'-P-C4' energy: -142.663 flat angles P-C4'-P energy: -100.335 tors. eta vs tors. theta energy: -193.929 Dist. restrs. and SS energy: 0.000 (S_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: -2223.865311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.865311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.865311 (E_RNA) where: Base-Base interactions energy: -1531.886 where: short stacking energy: -634.206 Base-Backbone interact. energy: -0.375 local terms energy: -691.604622 where: bonds (distance) C4'-P energy: -124.585 bonds (distance) P-C4' energy: -133.255 flat angles C4'-P-C4' energy: -145.987 flat angles P-C4'-P energy: -104.403 tors. eta vs tors. theta energy: -183.374 Dist. restrs. and SS energy: 0.000 (S_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: 205 Temperature: 1.350000 Total energy: -2061.867516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.867516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.867516 (E_RNA) where: Base-Base interactions energy: -1416.018 where: short stacking energy: -605.090 Base-Backbone interact. energy: -1.513 local terms energy: -644.336581 where: bonds (distance) C4'-P energy: -107.973 bonds (distance) P-C4' energy: -138.770 flat angles C4'-P-C4' energy: -144.545 flat angles P-C4'-P energy: -94.829 tors. eta vs tors. theta energy: -158.221 Dist. restrs. and SS energy: 0.000 (S_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: -2724.735973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.735973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.735973 (E_RNA) where: Base-Base interactions energy: -1939.123 where: short stacking energy: -765.050 Base-Backbone interact. energy: -0.923 local terms energy: -784.689491 where: bonds (distance) C4'-P energy: -128.723 bonds (distance) P-C4' energy: -152.650 flat angles C4'-P-C4' energy: -156.344 flat angles P-C4'-P energy: -120.037 tors. eta vs tors. theta energy: -226.936 Dist. restrs. and SS energy: 0.000 (S_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: 206 Temperature: 0.950000 Total energy: -2668.927590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.927590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.927590 (E_RNA) where: Base-Base interactions energy: -1896.910 where: short stacking energy: -753.940 Base-Backbone interact. energy: -4.850 local terms energy: -767.167832 where: bonds (distance) C4'-P energy: -119.032 bonds (distance) P-C4' energy: -151.926 flat angles C4'-P-C4' energy: -164.675 flat angles P-C4'-P energy: -106.385 tors. eta vs tors. theta energy: -225.149 Dist. restrs. and SS energy: 0.000 (S_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: -2630.694219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.694219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.694219 (E_RNA) where: Base-Base interactions energy: -1870.077 where: short stacking energy: -747.601 Base-Backbone interact. energy: 2.126 local terms energy: -762.743000 where: bonds (distance) C4'-P energy: -123.896 bonds (distance) P-C4' energy: -146.780 flat angles C4'-P-C4' energy: -155.610 flat angles P-C4'-P energy: -114.746 tors. eta vs tors. theta energy: -221.712 Dist. restrs. and SS energy: 0.000 (S_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: 206 Temperature: 1.050000 Total energy: -2563.539311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.539311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.539311 (E_RNA) where: Base-Base interactions energy: -1800.482 where: short stacking energy: -720.986 Base-Backbone interact. energy: -2.951 local terms energy: -760.106153 where: bonds (distance) C4'-P energy: -119.110 bonds (distance) P-C4' energy: -154.874 flat angles C4'-P-C4' energy: -148.943 flat angles P-C4'-P energy: -102.566 tors. eta vs tors. theta energy: -234.613 Dist. restrs. and SS energy: 0.000 (S_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: 206 Temperature: 1.100000 Total energy: -2538.533295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.533295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.533295 (E_RNA) where: Base-Base interactions energy: -1823.144 where: short stacking energy: -730.358 Base-Backbone interact. energy: -1.305 local terms energy: -714.084687 where: bonds (distance) C4'-P energy: -110.332 bonds (distance) P-C4' energy: -144.024 flat angles C4'-P-C4' energy: -147.931 flat angles P-C4'-P energy: -95.313 tors. eta vs tors. theta energy: -216.485 Dist. restrs. and SS energy: 0.000 (S_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: 206 Temperature: 1.150000 Total energy: -2490.489758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.489758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.489758 (E_RNA) where: Base-Base interactions energy: -1745.189 where: short stacking energy: -713.085 Base-Backbone interact. energy: -1.810 local terms energy: -743.490837 where: bonds (distance) C4'-P energy: -118.066 bonds (distance) P-C4' energy: -151.616 flat angles C4'-P-C4' energy: -151.501 flat angles P-C4'-P energy: -106.530 tors. eta vs tors. theta energy: -215.778 Dist. restrs. and SS energy: 0.000 (S_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: 206 Temperature: 1.200000 Total energy: -2437.875986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.875986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.875986 (E_RNA) where: Base-Base interactions energy: -1728.400 where: short stacking energy: -693.279 Base-Backbone interact. energy: -0.556 local terms energy: -708.919620 where: bonds (distance) C4'-P energy: -109.006 bonds (distance) P-C4' energy: -131.308 flat angles C4'-P-C4' energy: -147.481 flat angles P-C4'-P energy: -107.726 tors. eta vs tors. theta energy: -213.399 Dist. restrs. and SS energy: 0.000 (S_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: 206 Temperature: 1.250000 Total energy: -2361.195910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.195910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.195910 (E_RNA) where: Base-Base interactions energy: -1671.886 where: short stacking energy: -670.489 Base-Backbone interact. energy: 0.117 local terms energy: -689.427103 where: bonds (distance) C4'-P energy: -98.448 bonds (distance) P-C4' energy: -148.004 flat angles C4'-P-C4' energy: -137.955 flat angles P-C4'-P energy: -105.486 tors. eta vs tors. theta energy: -199.534 Dist. restrs. and SS energy: 0.000 (S_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: 206 Temperature: 1.300000 Total energy: -2216.605261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.605261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.605261 (E_RNA) where: Base-Base interactions energy: -1547.200 where: short stacking energy: -616.112 Base-Backbone interact. energy: -0.555 local terms energy: -668.850326 where: bonds (distance) C4'-P energy: -111.943 bonds (distance) P-C4' energy: -125.589 flat angles C4'-P-C4' energy: -143.850 flat angles P-C4'-P energy: -100.632 tors. eta vs tors. theta energy: -186.836 Dist. restrs. and SS energy: 0.000 (S_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: 206 Temperature: 1.350000 Total energy: -2051.261705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.261705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.261705 (E_RNA) where: Base-Base interactions energy: -1419.323 where: short stacking energy: -591.021 Base-Backbone interact. energy: -2.110 local terms energy: -629.828846 where: bonds (distance) C4'-P energy: -93.787 bonds (distance) P-C4' energy: -140.474 flat angles C4'-P-C4' energy: -136.196 flat angles P-C4'-P energy: -93.106 tors. eta vs tors. theta energy: -166.266 Dist. restrs. and SS energy: 0.000 (S_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: -2710.491699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.491699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.491699 (E_RNA) where: Base-Base interactions energy: -1920.473 where: short stacking energy: -768.201 Base-Backbone interact. energy: -3.696 local terms energy: -786.322633 where: bonds (distance) C4'-P energy: -119.794 bonds (distance) P-C4' energy: -161.354 flat angles C4'-P-C4' energy: -158.576 flat angles P-C4'-P energy: -115.887 tors. eta vs tors. theta energy: -230.712 Dist. restrs. and SS energy: 0.000 (S_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: 207 Temperature: 0.950000 Total energy: -2654.845898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.845898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.845898 (E_RNA) where: Base-Base interactions energy: -1901.696 where: short stacking energy: -760.331 Base-Backbone interact. energy: -3.122 local terms energy: -750.027577 where: bonds (distance) C4'-P energy: -111.519 bonds (distance) P-C4' energy: -143.579 flat angles C4'-P-C4' energy: -160.579 flat angles P-C4'-P energy: -112.477 tors. eta vs tors. theta energy: -221.873 Dist. restrs. and SS energy: 0.000 (S_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: 207 Temperature: 1.000000 Total energy: -2641.723125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.723125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.723125 (E_RNA) where: Base-Base interactions energy: -1881.651 where: short stacking energy: -758.830 Base-Backbone interact. energy: -3.449 local terms energy: -756.622996 where: bonds (distance) C4'-P energy: -121.839 bonds (distance) P-C4' energy: -141.572 flat angles C4'-P-C4' energy: -163.692 flat angles P-C4'-P energy: -108.662 tors. eta vs tors. theta energy: -220.858 Dist. restrs. and SS energy: 0.000 (S_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: 207 Temperature: 1.050000 Total energy: -2567.249186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.249186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.249186 (E_RNA) where: Base-Base interactions energy: -1840.816 where: short stacking energy: -737.794 Base-Backbone interact. energy: -1.399 local terms energy: -725.034424 where: bonds (distance) C4'-P energy: -109.706 bonds (distance) P-C4' energy: -140.539 flat angles C4'-P-C4' energy: -150.085 flat angles P-C4'-P energy: -99.994 tors. eta vs tors. theta energy: -224.710 Dist. restrs. and SS energy: 0.000 (S_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: 207 Temperature: 1.100000 Total energy: -2533.839365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.839365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.839365 (E_RNA) where: Base-Base interactions energy: -1786.137 where: short stacking energy: -739.764 Base-Backbone interact. energy: -1.721 local terms energy: -745.981752 where: bonds (distance) C4'-P energy: -116.392 bonds (distance) P-C4' energy: -140.322 flat angles C4'-P-C4' energy: -158.638 flat angles P-C4'-P energy: -102.976 tors. eta vs tors. theta energy: -227.654 Dist. restrs. and SS energy: 0.000 (S_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: 207 Temperature: 1.150000 Total energy: -2461.602972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.602972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.602972 (E_RNA) where: Base-Base interactions energy: -1739.526 where: short stacking energy: -718.291 Base-Backbone interact. energy: -2.738 local terms energy: -719.338700 where: bonds (distance) C4'-P energy: -110.963 bonds (distance) P-C4' energy: -152.126 flat angles C4'-P-C4' energy: -149.060 flat angles P-C4'-P energy: -99.707 tors. eta vs tors. theta energy: -207.483 Dist. restrs. and SS energy: 0.000 (S_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: 207 Temperature: 1.200000 Total energy: -2413.726305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.726305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.726305 (E_RNA) where: Base-Base interactions energy: -1720.751 where: short stacking energy: -702.891 Base-Backbone interact. energy: -0.344 local terms energy: -692.631512 where: bonds (distance) C4'-P energy: -98.357 bonds (distance) P-C4' energy: -135.491 flat angles C4'-P-C4' energy: -149.783 flat angles P-C4'-P energy: -92.735 tors. eta vs tors. theta energy: -216.266 Dist. restrs. and SS energy: 0.000 (S_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: 207 Temperature: 1.250000 Total energy: -2389.864604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.864604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.864604 (E_RNA) where: Base-Base interactions energy: -1709.204 where: short stacking energy: -678.605 Base-Backbone interact. energy: -0.546 local terms energy: -680.114833 where: bonds (distance) C4'-P energy: -102.492 bonds (distance) P-C4' energy: -139.396 flat angles C4'-P-C4' energy: -151.138 flat angles P-C4'-P energy: -89.158 tors. eta vs tors. theta energy: -197.932 Dist. restrs. and SS energy: 0.000 (S_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: 207 Temperature: 1.300000 Total energy: -2245.507044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.507044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.507044 (E_RNA) where: Base-Base interactions energy: -1575.884 where: short stacking energy: -636.192 Base-Backbone interact. energy: -0.752 local terms energy: -668.870975 where: bonds (distance) C4'-P energy: -106.130 bonds (distance) P-C4' energy: -139.845 flat angles C4'-P-C4' energy: -139.384 flat angles P-C4'-P energy: -93.106 tors. eta vs tors. theta energy: -190.405 Dist. restrs. and SS energy: 0.000 (S_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: 207 Temperature: 1.350000 Total energy: -2049.526259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.526259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.526259 (E_RNA) where: Base-Base interactions energy: -1421.713 where: short stacking energy: -590.039 Base-Backbone interact. energy: -1.047 local terms energy: -626.765595 where: bonds (distance) C4'-P energy: -95.886 bonds (distance) P-C4' energy: -143.928 flat angles C4'-P-C4' energy: -134.070 flat angles P-C4'-P energy: -90.134 tors. eta vs tors. theta energy: -162.746 Dist. restrs. and SS energy: 0.000 (S_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: 208 Temperature: 0.900000 Total energy: -2710.562137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.562137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.562137 (E_RNA) where: Base-Base interactions energy: -1931.126 where: short stacking energy: -757.410 Base-Backbone interact. energy: -4.387 local terms energy: -775.048722 where: bonds (distance) C4'-P energy: -115.113 bonds (distance) P-C4' energy: -154.644 flat angles C4'-P-C4' energy: -163.454 flat angles P-C4'-P energy: -116.062 tors. eta vs tors. theta energy: -225.775 Dist. restrs. and SS energy: 0.000 (S_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: 208 Temperature: 0.950000 Total energy: -2675.708164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.708164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.708164 (E_RNA) where: Base-Base interactions energy: -1903.038 where: short stacking energy: -747.811 Base-Backbone interact. energy: -1.587 local terms energy: -771.082374 where: bonds (distance) C4'-P energy: -119.538 bonds (distance) P-C4' energy: -154.289 flat angles C4'-P-C4' energy: -162.863 flat angles P-C4'-P energy: -109.270 tors. eta vs tors. theta energy: -225.122 Dist. restrs. and SS energy: 0.000 (S_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: 208 Temperature: 1.000000 Total energy: -2611.325573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.325573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.325573 (E_RNA) where: Base-Base interactions energy: -1852.962 where: short stacking energy: -742.255 Base-Backbone interact. energy: 0.220 local terms energy: -758.584127 where: bonds (distance) C4'-P energy: -115.431 bonds (distance) P-C4' energy: -146.555 flat angles C4'-P-C4' energy: -158.870 flat angles P-C4'-P energy: -112.371 tors. eta vs tors. theta energy: -225.357 Dist. restrs. and SS energy: 0.000 (S_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: 208 Temperature: 1.050000 Total energy: -2577.268238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.268238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.268238 (E_RNA) where: Base-Base interactions energy: -1829.838 where: short stacking energy: -732.905 Base-Backbone interact. energy: -2.296 local terms energy: -745.134455 where: bonds (distance) C4'-P energy: -111.572 bonds (distance) P-C4' energy: -154.121 flat angles C4'-P-C4' energy: -157.320 flat angles P-C4'-P energy: -105.794 tors. eta vs tors. theta energy: -216.327 Dist. restrs. and SS energy: 0.000 (S_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: 208 Temperature: 1.100000 Total energy: -2520.078623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.078623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.078623 (E_RNA) where: Base-Base interactions energy: -1789.807 where: short stacking energy: -702.167 Base-Backbone interact. energy: -2.875 local terms energy: -727.396594 where: bonds (distance) C4'-P energy: -107.969 bonds (distance) P-C4' energy: -154.058 flat angles C4'-P-C4' energy: -147.057 flat angles P-C4'-P energy: -102.762 tors. eta vs tors. theta energy: -215.551 Dist. restrs. and SS energy: 0.000 (S_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: 208 Temperature: 1.150000 Total energy: -2484.092799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.092799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.092799 (E_RNA) where: Base-Base interactions energy: -1753.653 where: short stacking energy: -728.736 Base-Backbone interact. energy: -1.231 local terms energy: -729.209239 where: bonds (distance) C4'-P energy: -110.028 bonds (distance) P-C4' energy: -138.608 flat angles C4'-P-C4' energy: -158.182 flat angles P-C4'-P energy: -101.602 tors. eta vs tors. theta energy: -220.789 Dist. restrs. and SS energy: 0.000 (S_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: 208 Temperature: 1.200000 Total energy: -2449.743659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.743659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.743659 (E_RNA) where: Base-Base interactions energy: -1754.133 where: short stacking energy: -695.827 Base-Backbone interact. energy: -0.203 local terms energy: -695.407889 where: bonds (distance) C4'-P energy: -97.964 bonds (distance) P-C4' energy: -139.227 flat angles C4'-P-C4' energy: -143.748 flat angles P-C4'-P energy: -103.748 tors. eta vs tors. theta energy: -210.720 Dist. restrs. and SS energy: 0.000 (S_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: 208 Temperature: 1.250000 Total energy: -2371.985059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.985059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.985059 (E_RNA) where: Base-Base interactions energy: -1681.760 where: short stacking energy: -670.315 Base-Backbone interact. energy: -2.306 local terms energy: -687.918969 where: bonds (distance) C4'-P energy: -103.858 bonds (distance) P-C4' energy: -136.769 flat angles C4'-P-C4' energy: -143.665 flat angles P-C4'-P energy: -107.308 tors. eta vs tors. theta energy: -196.319 Dist. restrs. and SS energy: 0.000 (S_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: -2233.087926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.087926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.087926 (E_RNA) where: Base-Base interactions energy: -1565.470 where: short stacking energy: -644.397 Base-Backbone interact. energy: -1.338 local terms energy: -666.280249 where: bonds (distance) C4'-P energy: -99.915 bonds (distance) P-C4' energy: -144.962 flat angles C4'-P-C4' energy: -129.444 flat angles P-C4'-P energy: -106.165 tors. eta vs tors. theta energy: -185.794 Dist. restrs. and SS energy: 0.000 (S_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: 208 Temperature: 1.350000 Total energy: -1993.926471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.926471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.926471 (E_RNA) where: Base-Base interactions energy: -1375.502 where: short stacking energy: -571.522 Base-Backbone interact. energy: -1.965 local terms energy: -616.458773 where: bonds (distance) C4'-P energy: -102.969 bonds (distance) P-C4' energy: -141.283 flat angles C4'-P-C4' energy: -130.799 flat angles P-C4'-P energy: -89.245 tors. eta vs tors. theta energy: -152.162 Dist. restrs. and SS energy: 0.000 (S_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: 209 Temperature: 0.900000 Total energy: -2721.291833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.291833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.291833 (E_RNA) where: Base-Base interactions energy: -1932.190 where: short stacking energy: -775.793 Base-Backbone interact. energy: -2.138 local terms energy: -786.963221 where: bonds (distance) C4'-P energy: -125.807 bonds (distance) P-C4' energy: -154.138 flat angles C4'-P-C4' energy: -159.551 flat angles P-C4'-P energy: -115.572 tors. eta vs tors. theta energy: -231.895 Dist. restrs. and SS energy: 0.000 (S_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: 209 Temperature: 0.950000 Total energy: -2666.461033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.461033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.461033 (E_RNA) where: Base-Base interactions energy: -1900.243 where: short stacking energy: -757.118 Base-Backbone interact. energy: -3.145 local terms energy: -763.073416 where: bonds (distance) C4'-P energy: -115.536 bonds (distance) P-C4' energy: -144.672 flat angles C4'-P-C4' energy: -165.140 flat angles P-C4'-P energy: -114.460 tors. eta vs tors. theta energy: -223.265 Dist. restrs. and SS energy: 0.000 (S_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: 209 Temperature: 1.000000 Total energy: -2618.966340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.966340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.966340 (E_RNA) where: Base-Base interactions energy: -1855.296 where: short stacking energy: -740.064 Base-Backbone interact. energy: -1.295 local terms energy: -762.375452 where: bonds (distance) C4'-P energy: -117.225 bonds (distance) P-C4' energy: -149.343 flat angles C4'-P-C4' energy: -168.151 flat angles P-C4'-P energy: -105.791 tors. eta vs tors. theta energy: -221.865 Dist. restrs. and SS energy: 0.000 (S_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: 209 Temperature: 1.050000 Total energy: -2583.199694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.199694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.199694 (E_RNA) where: Base-Base interactions energy: -1838.556 where: short stacking energy: -737.595 Base-Backbone interact. energy: -1.086 local terms energy: -743.557558 where: bonds (distance) C4'-P energy: -113.174 bonds (distance) P-C4' energy: -141.570 flat angles C4'-P-C4' energy: -161.844 flat angles P-C4'-P energy: -108.287 tors. eta vs tors. theta energy: -218.683 Dist. restrs. and SS energy: 0.000 (S_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: 209 Temperature: 1.100000 Total energy: -2515.611362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.611362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.611362 (E_RNA) where: Base-Base interactions energy: -1782.407 where: short stacking energy: -722.068 Base-Backbone interact. energy: -2.289 local terms energy: -730.915015 where: bonds (distance) C4'-P energy: -119.989 bonds (distance) P-C4' energy: -139.148 flat angles C4'-P-C4' energy: -159.448 flat angles P-C4'-P energy: -98.788 tors. eta vs tors. theta energy: -213.543 Dist. restrs. and SS energy: 0.000 (S_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: 209 Temperature: 1.150000 Total energy: -2492.199717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.199717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.199717 (E_RNA) where: Base-Base interactions energy: -1782.448 where: short stacking energy: -727.116 Base-Backbone interact. energy: 3.097 local terms energy: -712.848426 where: bonds (distance) C4'-P energy: -100.793 bonds (distance) P-C4' energy: -143.220 flat angles C4'-P-C4' energy: -147.541 flat angles P-C4'-P energy: -102.415 tors. eta vs tors. theta energy: -218.879 Dist. restrs. and SS energy: 0.000 (S_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: 209 Temperature: 1.200000 Total energy: -2473.743886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.743886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.743886 (E_RNA) where: Base-Base interactions energy: -1745.581 where: short stacking energy: -702.353 Base-Backbone interact. energy: -1.077 local terms energy: -727.086347 where: bonds (distance) C4'-P energy: -113.106 bonds (distance) P-C4' energy: -147.213 flat angles C4'-P-C4' energy: -154.160 flat angles P-C4'-P energy: -102.201 tors. eta vs tors. theta energy: -210.405 Dist. restrs. and SS energy: 0.000 (S_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: 209 Temperature: 1.250000 Total energy: -2393.329363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.329363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.329363 (E_RNA) where: Base-Base interactions energy: -1713.870 where: short stacking energy: -685.347 Base-Backbone interact. energy: 0.124 local terms energy: -679.583344 where: bonds (distance) C4'-P energy: -106.287 bonds (distance) P-C4' energy: -123.646 flat angles C4'-P-C4' energy: -147.097 flat angles P-C4'-P energy: -95.168 tors. eta vs tors. theta energy: -207.385 Dist. restrs. and SS energy: 0.000 (S_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: 209 Temperature: 1.300000 Total energy: -2210.463414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.463414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.463414 (E_RNA) where: Base-Base interactions energy: -1556.270 where: short stacking energy: -642.933 Base-Backbone interact. energy: -1.548 local terms energy: -652.645035 where: bonds (distance) C4'-P energy: -107.697 bonds (distance) P-C4' energy: -133.729 flat angles C4'-P-C4' energy: -138.887 flat angles P-C4'-P energy: -87.989 tors. eta vs tors. theta energy: -184.343 Dist. restrs. and SS energy: 0.000 (S_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: 209 Temperature: 1.350000 Total energy: -2052.845933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.845933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.845933 (E_RNA) where: Base-Base interactions energy: -1425.719 where: short stacking energy: -600.087 Base-Backbone interact. energy: -1.744 local terms energy: -625.382227 where: bonds (distance) C4'-P energy: -100.375 bonds (distance) P-C4' energy: -135.737 flat angles C4'-P-C4' energy: -138.367 flat angles P-C4'-P energy: -92.298 tors. eta vs tors. theta energy: -158.604 Dist. restrs. and SS energy: 0.000 (S_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: 210 Temperature: 0.900000 Total energy: -2701.462912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.462912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.462912 (E_RNA) where: Base-Base interactions energy: -1919.447 where: short stacking energy: -777.031 Base-Backbone interact. energy: -1.677 local terms energy: -780.339089 where: bonds (distance) C4'-P energy: -121.697 bonds (distance) P-C4' energy: -155.356 flat angles C4'-P-C4' energy: -164.643 flat angles P-C4'-P energy: -106.346 tors. eta vs tors. theta energy: -232.297 Dist. restrs. and SS energy: 0.000 (S_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: 210 Temperature: 0.950000 Total energy: -2680.222964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.222964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.222964 (E_RNA) where: Base-Base interactions energy: -1920.638 where: short stacking energy: -755.364 Base-Backbone interact. energy: -2.862 local terms energy: -756.723044 where: bonds (distance) C4'-P energy: -118.763 bonds (distance) P-C4' energy: -149.133 flat angles C4'-P-C4' energy: -160.567 flat angles P-C4'-P energy: -106.708 tors. eta vs tors. theta energy: -221.553 Dist. restrs. and SS energy: 0.000 (S_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: 210 Temperature: 1.000000 Total energy: -2620.985665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.985665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.985665 (E_RNA) where: Base-Base interactions energy: -1879.324 where: short stacking energy: -740.737 Base-Backbone interact. energy: -0.960 local terms energy: -740.702012 where: bonds (distance) C4'-P energy: -116.125 bonds (distance) P-C4' energy: -141.325 flat angles C4'-P-C4' energy: -156.399 flat angles P-C4'-P energy: -104.275 tors. eta vs tors. theta energy: -222.578 Dist. restrs. and SS energy: 0.000 (S_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: 210 Temperature: 1.050000 Total energy: -2559.543786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.543786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.543786 (E_RNA) where: Base-Base interactions energy: -1820.952 where: short stacking energy: -721.959 Base-Backbone interact. energy: -1.352 local terms energy: -737.239297 where: bonds (distance) C4'-P energy: -124.815 bonds (distance) P-C4' energy: -142.942 flat angles C4'-P-C4' energy: -154.414 flat angles P-C4'-P energy: -101.204 tors. eta vs tors. theta energy: -213.864 Dist. restrs. and SS energy: 0.000 (S_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: 210 Temperature: 1.100000 Total energy: -2498.202825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.202825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.202825 (E_RNA) where: Base-Base interactions energy: -1786.744 where: short stacking energy: -695.178 Base-Backbone interact. energy: -1.708 local terms energy: -709.750951 where: bonds (distance) C4'-P energy: -107.008 bonds (distance) P-C4' energy: -137.074 flat angles C4'-P-C4' energy: -157.522 flat angles P-C4'-P energy: -107.578 tors. eta vs tors. theta energy: -200.568 Dist. restrs. and SS energy: 0.000 (S_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: 210 Temperature: 1.150000 Total energy: -2489.094214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.094214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.094214 (E_RNA) where: Base-Base interactions energy: -1756.022 where: short stacking energy: -721.148 Base-Backbone interact. energy: -1.804 local terms energy: -731.268867 where: bonds (distance) C4'-P energy: -111.516 bonds (distance) P-C4' energy: -142.966 flat angles C4'-P-C4' energy: -154.486 flat angles P-C4'-P energy: -110.613 tors. eta vs tors. theta energy: -211.688 Dist. restrs. and SS energy: 0.000 (S_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: 210 Temperature: 1.200000 Total energy: -2407.551349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.551349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.551349 (E_RNA) where: Base-Base interactions energy: -1698.788 where: short stacking energy: -680.578 Base-Backbone interact. energy: -1.229 local terms energy: -707.534122 where: bonds (distance) C4'-P energy: -114.146 bonds (distance) P-C4' energy: -148.213 flat angles C4'-P-C4' energy: -148.453 flat angles P-C4'-P energy: -103.844 tors. eta vs tors. theta energy: -192.878 Dist. restrs. and SS energy: 0.000 (S_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: 210 Temperature: 1.250000 Total energy: -2392.144754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.144754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.144754 (E_RNA) where: Base-Base interactions energy: -1696.057 where: short stacking energy: -683.509 Base-Backbone interact. energy: -1.620 local terms energy: -694.467244 where: bonds (distance) C4'-P energy: -106.127 bonds (distance) P-C4' energy: -142.218 flat angles C4'-P-C4' energy: -142.847 flat angles P-C4'-P energy: -104.250 tors. eta vs tors. theta energy: -199.024 Dist. restrs. and SS energy: 0.000 (S_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: 210 Temperature: 1.300000 Total energy: -2208.713337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.713337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.713337 (E_RNA) where: Base-Base interactions energy: -1554.491 where: short stacking energy: -637.089 Base-Backbone interact. energy: -1.544 local terms energy: -652.677963 where: bonds (distance) C4'-P energy: -87.826 bonds (distance) P-C4' energy: -141.438 flat angles C4'-P-C4' energy: -142.449 flat angles P-C4'-P energy: -94.512 tors. eta vs tors. theta energy: -186.452 Dist. restrs. and SS energy: 0.000 (S_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: 210 Temperature: 1.350000 Total energy: -2077.541201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.541201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.541201 (E_RNA) where: Base-Base interactions energy: -1443.700 where: short stacking energy: -604.899 Base-Backbone interact. energy: -2.150 local terms energy: -631.691340 where: bonds (distance) C4'-P energy: -103.791 bonds (distance) P-C4' energy: -126.849 flat angles C4'-P-C4' energy: -134.840 flat angles P-C4'-P energy: -94.179 tors. eta vs tors. theta energy: -172.033 Dist. restrs. and SS energy: 0.000 (S_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: 211 Temperature: 0.900000 Total energy: -2710.448427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.448427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.448427 (E_RNA) where: Base-Base interactions energy: -1934.432 where: short stacking energy: -771.588 Base-Backbone interact. energy: -2.124 local terms energy: -773.891936 where: bonds (distance) C4'-P energy: -119.972 bonds (distance) P-C4' energy: -148.774 flat angles C4'-P-C4' energy: -162.085 flat angles P-C4'-P energy: -114.316 tors. eta vs tors. theta energy: -228.745 Dist. restrs. and SS energy: 0.000 (S_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: 211 Temperature: 0.950000 Total energy: -2663.944465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.944465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.944465 (E_RNA) where: Base-Base interactions energy: -1887.948 where: short stacking energy: -757.485 Base-Backbone interact. energy: -3.483 local terms energy: -772.513163 where: bonds (distance) C4'-P energy: -130.255 bonds (distance) P-C4' energy: -149.219 flat angles C4'-P-C4' energy: -157.941 flat angles P-C4'-P energy: -113.176 tors. eta vs tors. theta energy: -221.923 Dist. restrs. and SS energy: 0.000 (S_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: -2646.620766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.620766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.620766 (E_RNA) where: Base-Base interactions energy: -1881.001 where: short stacking energy: -764.078 Base-Backbone interact. energy: -2.508 local terms energy: -763.111230 where: bonds (distance) C4'-P energy: -119.481 bonds (distance) P-C4' energy: -147.140 flat angles C4'-P-C4' energy: -165.886 flat angles P-C4'-P energy: -105.897 tors. eta vs tors. theta energy: -224.708 Dist. restrs. and SS energy: 0.000 (S_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: 211 Temperature: 1.050000 Total energy: -2564.459581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.459581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.459581 (E_RNA) where: Base-Base interactions energy: -1828.417 where: short stacking energy: -739.132 Base-Backbone interact. energy: -1.584 local terms energy: -734.458764 where: bonds (distance) C4'-P energy: -106.546 bonds (distance) P-C4' energy: -142.611 flat angles C4'-P-C4' energy: -161.975 flat angles P-C4'-P energy: -109.596 tors. eta vs tors. theta energy: -213.731 Dist. restrs. and SS energy: 0.000 (S_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: 211 Temperature: 1.100000 Total energy: -2480.151023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.151023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.151023 (E_RNA) where: Base-Base interactions energy: -1756.887 where: short stacking energy: -705.436 Base-Backbone interact. energy: -2.433 local terms energy: -720.830530 where: bonds (distance) C4'-P energy: -114.051 bonds (distance) P-C4' energy: -150.111 flat angles C4'-P-C4' energy: -151.311 flat angles P-C4'-P energy: -99.277 tors. eta vs tors. theta energy: -206.082 Dist. restrs. and SS energy: 0.000 (S_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: 211 Temperature: 1.150000 Total energy: -2513.210803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.210803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.210803 (E_RNA) where: Base-Base interactions energy: -1769.896 where: short stacking energy: -710.937 Base-Backbone interact. energy: -1.656 local terms energy: -741.658696 where: bonds (distance) C4'-P energy: -119.922 bonds (distance) P-C4' energy: -145.093 flat angles C4'-P-C4' energy: -158.614 flat angles P-C4'-P energy: -103.329 tors. eta vs tors. theta energy: -214.701 Dist. restrs. and SS energy: 0.000 (S_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: 211 Temperature: 1.200000 Total energy: -2393.068306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.068306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.068306 (E_RNA) where: Base-Base interactions energy: -1690.534 where: short stacking energy: -674.147 Base-Backbone interact. energy: -2.535 local terms energy: -699.999005 where: bonds (distance) C4'-P energy: -122.397 bonds (distance) P-C4' energy: -135.602 flat angles C4'-P-C4' energy: -148.655 flat angles P-C4'-P energy: -91.657 tors. eta vs tors. theta energy: -201.688 Dist. restrs. and SS energy: 0.000 (S_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: 211 Temperature: 1.250000 Total energy: -2392.338393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.338393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.338393 (E_RNA) where: Base-Base interactions energy: -1698.490 where: short stacking energy: -694.200 Base-Backbone interact. energy: 0.932 local terms energy: -694.780447 where: bonds (distance) C4'-P energy: -114.139 bonds (distance) P-C4' energy: -133.544 flat angles C4'-P-C4' energy: -141.457 flat angles P-C4'-P energy: -98.385 tors. eta vs tors. theta energy: -207.256 Dist. restrs. and SS energy: 0.000 (S_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: 211 Temperature: 1.300000 Total energy: -2266.935948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.935948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.935948 (E_RNA) where: Base-Base interactions energy: -1584.992 where: short stacking energy: -636.858 Base-Backbone interact. energy: 0.098 local terms energy: -682.041544 where: bonds (distance) C4'-P energy: -105.296 bonds (distance) P-C4' energy: -146.604 flat angles C4'-P-C4' energy: -142.575 flat angles P-C4'-P energy: -93.182 tors. eta vs tors. theta energy: -194.385 Dist. restrs. and SS energy: 0.000 (S_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: 211 Temperature: 1.350000 Total energy: -2042.653400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.653400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.653400 (E_RNA) where: Base-Base interactions energy: -1412.855 where: short stacking energy: -591.619 Base-Backbone interact. energy: -0.763 local terms energy: -629.035780 where: bonds (distance) C4'-P energy: -100.241 bonds (distance) P-C4' energy: -121.658 flat angles C4'-P-C4' energy: -138.922 flat angles P-C4'-P energy: -85.502 tors. eta vs tors. theta energy: -182.713 Dist. restrs. and SS energy: 0.000 (S_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: 212 Temperature: 0.900000 Total energy: -2710.677034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.677034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.677034 (E_RNA) where: Base-Base interactions energy: -1921.736 where: short stacking energy: -761.914 Base-Backbone interact. energy: -2.442 local terms energy: -786.498572 where: bonds (distance) C4'-P energy: -118.323 bonds (distance) P-C4' energy: -151.354 flat angles C4'-P-C4' energy: -163.683 flat angles P-C4'-P energy: -122.234 tors. eta vs tors. theta energy: -230.904 Dist. restrs. and SS energy: 0.000 (S_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: 212 Temperature: 0.950000 Total energy: -2698.566804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.566804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.566804 (E_RNA) where: Base-Base interactions energy: -1916.869 where: short stacking energy: -761.403 Base-Backbone interact. energy: -1.725 local terms energy: -779.973651 where: bonds (distance) C4'-P energy: -122.822 bonds (distance) P-C4' energy: -158.193 flat angles C4'-P-C4' energy: -156.315 flat angles P-C4'-P energy: -111.144 tors. eta vs tors. theta energy: -231.499 Dist. restrs. and SS energy: 0.000 (S_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: 212 Temperature: 1.000000 Total energy: -2621.815086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.815086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.815086 (E_RNA) where: Base-Base interactions energy: -1868.480 where: short stacking energy: -750.125 Base-Backbone interact. energy: -3.019 local terms energy: -750.316076 where: bonds (distance) C4'-P energy: -115.935 bonds (distance) P-C4' energy: -143.738 flat angles C4'-P-C4' energy: -163.764 flat angles P-C4'-P energy: -107.663 tors. eta vs tors. theta energy: -219.217 Dist. restrs. and SS energy: 0.000 (S_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: 212 Temperature: 1.050000 Total energy: -2569.726665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.726665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.726665 (E_RNA) where: Base-Base interactions energy: -1817.264 where: short stacking energy: -724.758 Base-Backbone interact. energy: -1.956 local terms energy: -750.506941 where: bonds (distance) C4'-P energy: -116.846 bonds (distance) P-C4' energy: -136.744 flat angles C4'-P-C4' energy: -159.762 flat angles P-C4'-P energy: -112.868 tors. eta vs tors. theta energy: -224.287 Dist. restrs. and SS energy: 0.000 (S_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: 212 Temperature: 1.100000 Total energy: -2534.277516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.277516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.277516 (E_RNA) where: Base-Base interactions energy: -1812.502 where: short stacking energy: -726.086 Base-Backbone interact. energy: -2.748 local terms energy: -719.027825 where: bonds (distance) C4'-P energy: -114.031 bonds (distance) P-C4' energy: -136.395 flat angles C4'-P-C4' energy: -157.916 flat angles P-C4'-P energy: -99.599 tors. eta vs tors. theta energy: -211.087 Dist. restrs. and SS energy: 0.000 (S_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: 212 Temperature: 1.150000 Total energy: -2461.675557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.675557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.675557 (E_RNA) where: Base-Base interactions energy: -1752.142 where: short stacking energy: -682.927 Base-Backbone interact. energy: -1.851 local terms energy: -707.683366 where: bonds (distance) C4'-P energy: -104.464 bonds (distance) P-C4' energy: -133.078 flat angles C4'-P-C4' energy: -154.462 flat angles P-C4'-P energy: -109.892 tors. eta vs tors. theta energy: -205.788 Dist. restrs. and SS energy: 0.000 (S_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: 212 Temperature: 1.200000 Total energy: -2395.794817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.794817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.794817 (E_RNA) where: Base-Base interactions energy: -1699.277 where: short stacking energy: -681.112 Base-Backbone interact. energy: 4.052 local terms energy: -700.570110 where: bonds (distance) C4'-P energy: -100.852 bonds (distance) P-C4' energy: -139.218 flat angles C4'-P-C4' energy: -153.857 flat angles P-C4'-P energy: -102.887 tors. eta vs tors. theta energy: -203.756 Dist. restrs. and SS energy: 0.000 (S_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: -2415.422440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.422440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.422440 (E_RNA) where: Base-Base interactions energy: -1740.551 where: short stacking energy: -705.722 Base-Backbone interact. energy: -0.847 local terms energy: -674.024714 where: bonds (distance) C4'-P energy: -111.205 bonds (distance) P-C4' energy: -135.906 flat angles C4'-P-C4' energy: -141.093 flat angles P-C4'-P energy: -83.383 tors. eta vs tors. theta energy: -202.439 Dist. restrs. and SS energy: 0.000 (S_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: 212 Temperature: 1.300000 Total energy: -2207.868122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.868122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.868122 (E_RNA) where: Base-Base interactions energy: -1540.144 where: short stacking energy: -638.797 Base-Backbone interact. energy: -1.740 local terms energy: -665.983965 where: bonds (distance) C4'-P energy: -102.468 bonds (distance) P-C4' energy: -127.863 flat angles C4'-P-C4' energy: -148.980 flat angles P-C4'-P energy: -97.400 tors. eta vs tors. theta energy: -189.273 Dist. restrs. and SS energy: 0.000 (S_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: 212 Temperature: 1.350000 Total energy: -2058.610662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.610662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.610662 (E_RNA) where: Base-Base interactions energy: -1440.229 where: short stacking energy: -597.168 Base-Backbone interact. energy: 1.616 local terms energy: -619.997535 where: bonds (distance) C4'-P energy: -100.393 bonds (distance) P-C4' energy: -130.053 flat angles C4'-P-C4' energy: -123.906 flat angles P-C4'-P energy: -92.777 tors. eta vs tors. theta energy: -172.868 Dist. restrs. and SS energy: 0.000 (S_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: 213 Temperature: 0.900000 Total energy: -2699.824014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.824014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.824014 (E_RNA) where: Base-Base interactions energy: -1910.150 where: short stacking energy: -758.347 Base-Backbone interact. energy: -2.928 local terms energy: -786.745629 where: bonds (distance) C4'-P energy: -121.196 bonds (distance) P-C4' energy: -153.934 flat angles C4'-P-C4' energy: -168.008 flat angles P-C4'-P energy: -117.184 tors. eta vs tors. theta energy: -226.423 Dist. restrs. and SS energy: 0.000 (S_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: 213 Temperature: 0.950000 Total energy: -2662.042264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.042264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.042264 (E_RNA) where: Base-Base interactions energy: -1871.316 where: short stacking energy: -760.842 Base-Backbone interact. energy: -2.019 local terms energy: -788.706683 where: bonds (distance) C4'-P energy: -132.336 bonds (distance) P-C4' energy: -149.748 flat angles C4'-P-C4' energy: -160.128 flat angles P-C4'-P energy: -115.112 tors. eta vs tors. theta energy: -231.382 Dist. restrs. and SS energy: 0.000 (S_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: 213 Temperature: 1.000000 Total energy: -2609.135665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.135665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.135665 (E_RNA) where: Base-Base interactions energy: -1853.336 where: short stacking energy: -750.699 Base-Backbone interact. energy: -1.047 local terms energy: -754.753053 where: bonds (distance) C4'-P energy: -121.694 bonds (distance) P-C4' energy: -147.765 flat angles C4'-P-C4' energy: -152.332 flat angles P-C4'-P energy: -108.785 tors. eta vs tors. theta energy: -224.178 Dist. restrs. and SS energy: 0.000 (S_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: 213 Temperature: 1.050000 Total energy: -2565.588999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.588999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.588999 (E_RNA) where: Base-Base interactions energy: -1826.673 where: short stacking energy: -750.855 Base-Backbone interact. energy: -1.392 local terms energy: -737.524274 where: bonds (distance) C4'-P energy: -115.716 bonds (distance) P-C4' energy: -142.603 flat angles C4'-P-C4' energy: -165.537 flat angles P-C4'-P energy: -98.353 tors. eta vs tors. theta energy: -215.316 Dist. restrs. and SS energy: 0.000 (S_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: 213 Temperature: 1.100000 Total energy: -2526.516027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.516027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.516027 (E_RNA) where: Base-Base interactions energy: -1785.908 where: short stacking energy: -724.786 Base-Backbone interact. energy: -1.228 local terms energy: -739.380285 where: bonds (distance) C4'-P energy: -113.716 bonds (distance) P-C4' energy: -145.536 flat angles C4'-P-C4' energy: -156.631 flat angles P-C4'-P energy: -106.649 tors. eta vs tors. theta energy: -216.849 Dist. restrs. and SS energy: 0.000 (S_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: -2467.912887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.912887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.912887 (E_RNA) where: Base-Base interactions energy: -1742.919 where: short stacking energy: -706.418 Base-Backbone interact. energy: 0.296 local terms energy: -725.289666 where: bonds (distance) C4'-P energy: -113.072 bonds (distance) P-C4' energy: -147.504 flat angles C4'-P-C4' energy: -155.090 flat angles P-C4'-P energy: -99.135 tors. eta vs tors. theta energy: -210.488 Dist. restrs. and SS energy: 0.000 (S_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: 213 Temperature: 1.200000 Total energy: -2421.277059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.277059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.277059 (E_RNA) where: Base-Base interactions energy: -1716.611 where: short stacking energy: -693.351 Base-Backbone interact. energy: -2.120 local terms energy: -702.546406 where: bonds (distance) C4'-P energy: -105.014 bonds (distance) P-C4' energy: -149.195 flat angles C4'-P-C4' energy: -150.528 flat angles P-C4'-P energy: -100.684 tors. eta vs tors. theta energy: -197.125 Dist. restrs. and SS energy: 0.000 (S_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: 213 Temperature: 1.250000 Total energy: -2374.306651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.306651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.306651 (E_RNA) where: Base-Base interactions energy: -1693.097 where: short stacking energy: -687.071 Base-Backbone interact. energy: -1.927 local terms energy: -679.282797 where: bonds (distance) C4'-P energy: -112.128 bonds (distance) P-C4' energy: -127.975 flat angles C4'-P-C4' energy: -139.402 flat angles P-C4'-P energy: -103.090 tors. eta vs tors. theta energy: -196.688 Dist. restrs. and SS energy: 0.000 (S_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: 213 Temperature: 1.300000 Total energy: -2229.040850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.040850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.040850 (E_RNA) where: Base-Base interactions energy: -1562.088 where: short stacking energy: -634.751 Base-Backbone interact. energy: -2.156 local terms energy: -664.796691 where: bonds (distance) C4'-P energy: -107.070 bonds (distance) P-C4' energy: -131.979 flat angles C4'-P-C4' energy: -145.947 flat angles P-C4'-P energy: -91.479 tors. eta vs tors. theta energy: -188.322 Dist. restrs. and SS energy: 0.000 (S_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: 213 Temperature: 1.350000 Total energy: -2100.424909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.424909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.424909 (E_RNA) where: Base-Base interactions energy: -1448.302 where: short stacking energy: -583.159 Base-Backbone interact. energy: -0.030 local terms energy: -652.092613 where: bonds (distance) C4'-P energy: -94.750 bonds (distance) P-C4' energy: -123.315 flat angles C4'-P-C4' energy: -150.918 flat angles P-C4'-P energy: -109.006 tors. eta vs tors. theta energy: -174.104 Dist. restrs. and SS energy: 0.000 (S_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: 214 Temperature: 0.900000 Total energy: -2700.453132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.453132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.453132 (E_RNA) where: Base-Base interactions energy: -1912.963 where: short stacking energy: -760.712 Base-Backbone interact. energy: -1.866 local terms energy: -785.623279 where: bonds (distance) C4'-P energy: -123.459 bonds (distance) P-C4' energy: -153.393 flat angles C4'-P-C4' energy: -169.538 flat angles P-C4'-P energy: -112.270 tors. eta vs tors. theta energy: -226.963 Dist. restrs. and SS energy: 0.000 (S_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: 214 Temperature: 0.950000 Total energy: -2645.011008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.011008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.011008 (E_RNA) where: Base-Base interactions energy: -1888.410 where: short stacking energy: -761.751 Base-Backbone interact. energy: -2.624 local terms energy: -753.977232 where: bonds (distance) C4'-P energy: -115.435 bonds (distance) P-C4' energy: -141.756 flat angles C4'-P-C4' energy: -162.708 flat angles P-C4'-P energy: -102.960 tors. eta vs tors. theta energy: -231.118 Dist. restrs. and SS energy: 0.000 (S_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: 214 Temperature: 1.000000 Total energy: -2622.140704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.140704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.140704 (E_RNA) where: Base-Base interactions energy: -1887.931 where: short stacking energy: -748.914 Base-Backbone interact. energy: -1.035 local terms energy: -733.174331 where: bonds (distance) C4'-P energy: -117.067 bonds (distance) P-C4' energy: -142.035 flat angles C4'-P-C4' energy: -160.763 flat angles P-C4'-P energy: -98.466 tors. eta vs tors. theta energy: -214.843 Dist. restrs. and SS energy: 0.000 (S_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: 214 Temperature: 1.050000 Total energy: -2553.365573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.365573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.365573 (E_RNA) where: Base-Base interactions energy: -1801.731 where: short stacking energy: -711.269 Base-Backbone interact. energy: -1.544 local terms energy: -750.090752 where: bonds (distance) C4'-P energy: -113.143 bonds (distance) P-C4' energy: -146.760 flat angles C4'-P-C4' energy: -167.783 flat angles P-C4'-P energy: -109.370 tors. eta vs tors. theta energy: -213.035 Dist. restrs. and SS energy: 0.000 (S_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: 214 Temperature: 1.100000 Total energy: -2527.377658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.377658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.377658 (E_RNA) where: Base-Base interactions energy: -1791.929 where: short stacking energy: -716.602 Base-Backbone interact. energy: -1.133 local terms energy: -734.315555 where: bonds (distance) C4'-P energy: -119.556 bonds (distance) P-C4' energy: -148.197 flat angles C4'-P-C4' energy: -147.606 flat angles P-C4'-P energy: -103.761 tors. eta vs tors. theta energy: -215.195 Dist. restrs. and SS energy: 0.000 (S_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: 214 Temperature: 1.150000 Total energy: -2469.507140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.507140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.507140 (E_RNA) where: Base-Base interactions energy: -1752.086 where: short stacking energy: -712.121 Base-Backbone interact. energy: 0.201 local terms energy: -717.621434 where: bonds (distance) C4'-P energy: -119.847 bonds (distance) P-C4' energy: -145.085 flat angles C4'-P-C4' energy: -143.931 flat angles P-C4'-P energy: -100.338 tors. eta vs tors. theta energy: -208.421 Dist. restrs. and SS energy: 0.000 (S_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: 214 Temperature: 1.200000 Total energy: -2401.803147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.803147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.803147 (E_RNA) where: Base-Base interactions energy: -1697.589 where: short stacking energy: -682.360 Base-Backbone interact. energy: -2.855 local terms energy: -701.358646 where: bonds (distance) C4'-P energy: -113.783 bonds (distance) P-C4' energy: -146.039 flat angles C4'-P-C4' energy: -150.547 flat angles P-C4'-P energy: -93.402 tors. eta vs tors. theta energy: -197.587 Dist. restrs. and SS energy: 0.000 (S_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: 214 Temperature: 1.250000 Total energy: -2380.808415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.808415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.808415 (E_RNA) where: Base-Base interactions energy: -1709.741 where: short stacking energy: -699.026 Base-Backbone interact. energy: -2.223 local terms energy: -668.843610 where: bonds (distance) C4'-P energy: -85.110 bonds (distance) P-C4' energy: -139.265 flat angles C4'-P-C4' energy: -147.495 flat angles P-C4'-P energy: -93.984 tors. eta vs tors. theta energy: -202.989 Dist. restrs. and SS energy: 0.000 (S_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: 214 Temperature: 1.300000 Total energy: -2227.241739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.241739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.241739 (E_RNA) where: Base-Base interactions energy: -1558.402 where: short stacking energy: -633.257 Base-Backbone interact. energy: -2.604 local terms energy: -666.235534 where: bonds (distance) C4'-P energy: -107.173 bonds (distance) P-C4' energy: -135.738 flat angles C4'-P-C4' energy: -147.401 flat angles P-C4'-P energy: -94.164 tors. eta vs tors. theta energy: -181.760 Dist. restrs. and SS energy: 0.000 (S_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: 214 Temperature: 1.350000 Total energy: -2030.399457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.399457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.399457 (E_RNA) where: Base-Base interactions energy: -1412.854 where: short stacking energy: -582.444 Base-Backbone interact. energy: -0.528 local terms energy: -617.018088 where: bonds (distance) C4'-P energy: -96.521 bonds (distance) P-C4' energy: -133.745 flat angles C4'-P-C4' energy: -145.127 flat angles P-C4'-P energy: -88.030 tors. eta vs tors. theta energy: -153.596 Dist. restrs. and SS energy: 0.000 (S_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: 215 Temperature: 0.900000 Total energy: -2701.930209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.930209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.930209 (E_RNA) where: Base-Base interactions energy: -1902.545 where: short stacking energy: -761.824 Base-Backbone interact. energy: -1.575 local terms energy: -797.809883 where: bonds (distance) C4'-P energy: -116.233 bonds (distance) P-C4' energy: -159.734 flat angles C4'-P-C4' energy: -170.546 flat angles P-C4'-P energy: -124.945 tors. eta vs tors. theta energy: -226.352 Dist. restrs. and SS energy: 0.000 (S_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: 215 Temperature: 0.950000 Total energy: -2646.047883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.047883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.047883 (E_RNA) where: Base-Base interactions energy: -1866.840 where: short stacking energy: -761.964 Base-Backbone interact. energy: -1.606 local terms energy: -777.601455 where: bonds (distance) C4'-P energy: -116.215 bonds (distance) P-C4' energy: -152.209 flat angles C4'-P-C4' energy: -163.127 flat angles P-C4'-P energy: -113.190 tors. eta vs tors. theta energy: -232.860 Dist. restrs. and SS energy: 0.000 (S_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: 215 Temperature: 1.000000 Total energy: -2637.691615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.691615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.691615 (E_RNA) where: Base-Base interactions energy: -1875.607 where: short stacking energy: -754.815 Base-Backbone interact. energy: -2.065 local terms energy: -760.019480 where: bonds (distance) C4'-P energy: -111.275 bonds (distance) P-C4' energy: -156.331 flat angles C4'-P-C4' energy: -160.836 flat angles P-C4'-P energy: -111.258 tors. eta vs tors. theta energy: -220.320 Dist. restrs. and SS energy: 0.000 (S_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: 215 Temperature: 1.050000 Total energy: -2557.040104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.040104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.040104 (E_RNA) where: Base-Base interactions energy: -1818.615 where: short stacking energy: -728.699 Base-Backbone interact. energy: 1.027 local terms energy: -739.452065 where: bonds (distance) C4'-P energy: -104.336 bonds (distance) P-C4' energy: -149.222 flat angles C4'-P-C4' energy: -150.871 flat angles P-C4'-P energy: -115.017 tors. eta vs tors. theta energy: -220.005 Dist. restrs. and SS energy: 0.000 (S_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: 215 Temperature: 1.100000 Total energy: -2541.222779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.222779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.222779 (E_RNA) where: Base-Base interactions energy: -1794.851 where: short stacking energy: -715.078 Base-Backbone interact. energy: -3.300 local terms energy: -743.072081 where: bonds (distance) C4'-P energy: -122.188 bonds (distance) P-C4' energy: -145.205 flat angles C4'-P-C4' energy: -155.593 flat angles P-C4'-P energy: -104.892 tors. eta vs tors. theta energy: -215.195 Dist. restrs. and SS energy: 0.000 (S_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: 215 Temperature: 1.150000 Total energy: -2499.388487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.388487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.388487 (E_RNA) where: Base-Base interactions energy: -1760.449 where: short stacking energy: -711.418 Base-Backbone interact. energy: -1.205 local terms energy: -737.734663 where: bonds (distance) C4'-P energy: -113.847 bonds (distance) P-C4' energy: -146.416 flat angles C4'-P-C4' energy: -154.434 flat angles P-C4'-P energy: -99.912 tors. eta vs tors. theta energy: -223.125 Dist. restrs. and SS energy: 0.000 (S_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: 215 Temperature: 1.200000 Total energy: -2370.478738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.478738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.478738 (E_RNA) where: Base-Base interactions energy: -1672.273 where: short stacking energy: -666.866 Base-Backbone interact. energy: -0.689 local terms energy: -697.516078 where: bonds (distance) C4'-P energy: -106.293 bonds (distance) P-C4' energy: -150.917 flat angles C4'-P-C4' energy: -149.088 flat angles P-C4'-P energy: -102.921 tors. eta vs tors. theta energy: -188.298 Dist. restrs. and SS energy: 0.000 (S_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: 215 Temperature: 1.250000 Total energy: -2365.473846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.473846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.473846 (E_RNA) where: Base-Base interactions energy: -1682.574 where: short stacking energy: -710.368 Base-Backbone interact. energy: 1.273 local terms energy: -684.173490 where: bonds (distance) C4'-P energy: -94.926 bonds (distance) P-C4' energy: -132.670 flat angles C4'-P-C4' energy: -155.268 flat angles P-C4'-P energy: -97.612 tors. eta vs tors. theta energy: -203.697 Dist. restrs. and SS energy: 0.000 (S_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: 215 Temperature: 1.300000 Total energy: -2220.327738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.327738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.327738 (E_RNA) where: Base-Base interactions energy: -1534.508 where: short stacking energy: -615.078 Base-Backbone interact. energy: -1.895 local terms energy: -683.924740 where: bonds (distance) C4'-P energy: -125.755 bonds (distance) P-C4' energy: -134.899 flat angles C4'-P-C4' energy: -147.888 flat angles P-C4'-P energy: -85.411 tors. eta vs tors. theta energy: -189.970 Dist. restrs. and SS energy: 0.000 (S_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: 215 Temperature: 1.350000 Total energy: -2010.367468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.367468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.367468 (E_RNA) where: Base-Base interactions energy: -1386.643 where: short stacking energy: -576.157 Base-Backbone interact. energy: -0.638 local terms energy: -623.086003 where: bonds (distance) C4'-P energy: -113.441 bonds (distance) P-C4' energy: -125.624 flat angles C4'-P-C4' energy: -135.242 flat angles P-C4'-P energy: -90.209 tors. eta vs tors. theta energy: -158.570 Dist. restrs. and SS energy: 0.000 (S_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: 216 Temperature: 0.900000 Total energy: -2685.604197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.604197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.604197 (E_RNA) where: Base-Base interactions energy: -1898.870 where: short stacking energy: -765.629 Base-Backbone interact. energy: -1.186 local terms energy: -785.547823 where: bonds (distance) C4'-P energy: -127.174 bonds (distance) P-C4' energy: -150.912 flat angles C4'-P-C4' energy: -168.201 flat angles P-C4'-P energy: -113.609 tors. eta vs tors. theta energy: -225.651 Dist. restrs. and SS energy: 0.000 (S_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: 216 Temperature: 0.950000 Total energy: -2642.628731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.628731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.628731 (E_RNA) where: Base-Base interactions energy: -1872.272 where: short stacking energy: -759.948 Base-Backbone interact. energy: -1.921 local terms energy: -768.436021 where: bonds (distance) C4'-P energy: -125.133 bonds (distance) P-C4' energy: -144.338 flat angles C4'-P-C4' energy: -159.129 flat angles P-C4'-P energy: -115.293 tors. eta vs tors. theta energy: -224.543 Dist. restrs. and SS energy: 0.000 (S_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: 216 Temperature: 1.000000 Total energy: -2657.253969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.253969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.253969 (E_RNA) where: Base-Base interactions energy: -1894.509 where: short stacking energy: -760.330 Base-Backbone interact. energy: -3.808 local terms energy: -758.936286 where: bonds (distance) C4'-P energy: -123.450 bonds (distance) P-C4' energy: -135.465 flat angles C4'-P-C4' energy: -158.545 flat angles P-C4'-P energy: -113.837 tors. eta vs tors. theta energy: -227.638 Dist. restrs. and SS energy: 0.000 (S_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: -2565.814421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.814421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.814421 (E_RNA) where: Base-Base interactions energy: -1820.198 where: short stacking energy: -721.280 Base-Backbone interact. energy: -0.995 local terms energy: -744.621354 where: bonds (distance) C4'-P energy: -118.289 bonds (distance) P-C4' energy: -147.565 flat angles C4'-P-C4' energy: -157.747 flat angles P-C4'-P energy: -105.817 tors. eta vs tors. theta energy: -215.203 Dist. restrs. and SS energy: 0.000 (S_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: 216 Temperature: 1.100000 Total energy: -2525.742104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.742104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.742104 (E_RNA) where: Base-Base interactions energy: -1766.629 where: short stacking energy: -715.708 Base-Backbone interact. energy: -1.637 local terms energy: -757.475196 where: bonds (distance) C4'-P energy: -126.392 bonds (distance) P-C4' energy: -143.566 flat angles C4'-P-C4' energy: -156.830 flat angles P-C4'-P energy: -113.752 tors. eta vs tors. theta energy: -216.936 Dist. restrs. and SS energy: 0.000 (S_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: 216 Temperature: 1.150000 Total energy: -2517.254123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.254123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.254123 (E_RNA) where: Base-Base interactions energy: -1812.279 where: short stacking energy: -728.066 Base-Backbone interact. energy: -2.156 local terms energy: -702.819508 where: bonds (distance) C4'-P energy: -95.082 bonds (distance) P-C4' energy: -135.852 flat angles C4'-P-C4' energy: -147.575 flat angles P-C4'-P energy: -108.589 tors. eta vs tors. theta energy: -215.722 Dist. restrs. and SS energy: 0.000 (S_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: 216 Temperature: 1.200000 Total energy: -2358.474563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.474563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.474563 (E_RNA) where: Base-Base interactions energy: -1659.047 where: short stacking energy: -673.991 Base-Backbone interact. energy: -0.924 local terms energy: -698.503770 where: bonds (distance) C4'-P energy: -117.140 bonds (distance) P-C4' energy: -134.396 flat angles C4'-P-C4' energy: -146.536 flat angles P-C4'-P energy: -99.232 tors. eta vs tors. theta energy: -201.200 Dist. restrs. and SS energy: 0.000 (S_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: 216 Temperature: 1.250000 Total energy: -2363.885867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.885867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.885867 (E_RNA) where: Base-Base interactions energy: -1657.648 where: short stacking energy: -665.625 Base-Backbone interact. energy: -0.063 local terms energy: -706.174240 where: bonds (distance) C4'-P energy: -114.594 bonds (distance) P-C4' energy: -141.088 flat angles C4'-P-C4' energy: -149.301 flat angles P-C4'-P energy: -102.363 tors. eta vs tors. theta energy: -198.828 Dist. restrs. and SS energy: 0.000 (S_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: 216 Temperature: 1.300000 Total energy: -2184.334887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.334887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.334887 (E_RNA) where: Base-Base interactions energy: -1539.239 where: short stacking energy: -626.401 Base-Backbone interact. energy: -0.797 local terms energy: -644.298907 where: bonds (distance) C4'-P energy: -96.451 bonds (distance) P-C4' energy: -132.907 flat angles C4'-P-C4' energy: -149.570 flat angles P-C4'-P energy: -85.307 tors. eta vs tors. theta energy: -180.063 Dist. restrs. and SS energy: 0.000 (S_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: 216 Temperature: 1.350000 Total energy: -1981.116419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.116419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.116419 (E_RNA) where: Base-Base interactions energy: -1357.362 where: short stacking energy: -583.490 Base-Backbone interact. energy: 1.413 local terms energy: -625.166798 where: bonds (distance) C4'-P energy: -85.222 bonds (distance) P-C4' energy: -134.282 flat angles C4'-P-C4' energy: -137.615 flat angles P-C4'-P energy: -92.315 tors. eta vs tors. theta energy: -175.734 Dist. restrs. and SS energy: 0.000 (S_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: 217 Temperature: 0.900000 Total energy: -2702.187474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.187474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.187474 (E_RNA) where: Base-Base interactions energy: -1911.888 where: short stacking energy: -761.343 Base-Backbone interact. energy: -3.862 local terms energy: -786.437124 where: bonds (distance) C4'-P energy: -123.805 bonds (distance) P-C4' energy: -157.216 flat angles C4'-P-C4' energy: -160.099 flat angles P-C4'-P energy: -117.467 tors. eta vs tors. theta energy: -227.850 Dist. restrs. and SS energy: 0.000 (S_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: 217 Temperature: 0.950000 Total energy: -2684.477060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.477060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.477060 (E_RNA) where: Base-Base interactions energy: -1916.375 where: short stacking energy: -740.561 Base-Backbone interact. energy: -0.928 local terms energy: -767.173369 where: bonds (distance) C4'-P energy: -116.477 bonds (distance) P-C4' energy: -155.730 flat angles C4'-P-C4' energy: -156.040 flat angles P-C4'-P energy: -116.205 tors. eta vs tors. theta energy: -222.722 Dist. restrs. and SS energy: 0.000 (S_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: 217 Temperature: 1.000000 Total energy: -2632.986547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.986547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.986547 (E_RNA) where: Base-Base interactions energy: -1862.033 where: short stacking energy: -762.262 Base-Backbone interact. energy: -1.696 local terms energy: -769.258213 where: bonds (distance) C4'-P energy: -126.120 bonds (distance) P-C4' energy: -141.664 flat angles C4'-P-C4' energy: -161.868 flat angles P-C4'-P energy: -110.200 tors. eta vs tors. theta energy: -229.406 Dist. restrs. and SS energy: 0.000 (S_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: 217 Temperature: 1.050000 Total energy: -2565.029919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.029919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.029919 (E_RNA) where: Base-Base interactions energy: -1834.745 where: short stacking energy: -743.023 Base-Backbone interact. energy: -1.943 local terms energy: -728.341405 where: bonds (distance) C4'-P energy: -110.429 bonds (distance) P-C4' energy: -142.530 flat angles C4'-P-C4' energy: -155.262 flat angles P-C4'-P energy: -95.800 tors. eta vs tors. theta energy: -224.320 Dist. restrs. and SS energy: 0.000 (S_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: 217 Temperature: 1.100000 Total energy: -2513.079072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.079072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.079072 (E_RNA) where: Base-Base interactions energy: -1778.659 where: short stacking energy: -715.133 Base-Backbone interact. energy: -0.716 local terms energy: -733.704557 where: bonds (distance) C4'-P energy: -113.503 bonds (distance) P-C4' energy: -153.473 flat angles C4'-P-C4' energy: -155.969 flat angles P-C4'-P energy: -106.811 tors. eta vs tors. theta energy: -203.949 Dist. restrs. and SS energy: 0.000 (S_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: 217 Temperature: 1.150000 Total energy: -2516.990658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.990658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.990658 (E_RNA) where: Base-Base interactions energy: -1815.940 where: short stacking energy: -728.577 Base-Backbone interact. energy: -0.877 local terms energy: -700.173771 where: bonds (distance) C4'-P energy: -98.099 bonds (distance) P-C4' energy: -147.269 flat angles C4'-P-C4' energy: -140.167 flat angles P-C4'-P energy: -101.394 tors. eta vs tors. theta energy: -213.245 Dist. restrs. and SS energy: 0.000 (S_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: 217 Temperature: 1.200000 Total energy: -2371.738786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.738786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.738786 (E_RNA) where: Base-Base interactions energy: -1664.011 where: short stacking energy: -690.365 Base-Backbone interact. energy: -0.674 local terms energy: -707.054273 where: bonds (distance) C4'-P energy: -99.698 bonds (distance) P-C4' energy: -160.535 flat angles C4'-P-C4' energy: -142.077 flat angles P-C4'-P energy: -102.533 tors. eta vs tors. theta energy: -202.211 Dist. restrs. and SS energy: 0.000 (S_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: 217 Temperature: 1.250000 Total energy: -2416.858223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.858223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.858223 (E_RNA) where: Base-Base interactions energy: -1714.619 where: short stacking energy: -683.920 Base-Backbone interact. energy: -1.074 local terms energy: -701.165032 where: bonds (distance) C4'-P energy: -109.501 bonds (distance) P-C4' energy: -141.896 flat angles C4'-P-C4' energy: -147.908 flat angles P-C4'-P energy: -104.500 tors. eta vs tors. theta energy: -197.361 Dist. restrs. and SS energy: 0.000 (S_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: 217 Temperature: 1.300000 Total energy: -2175.382444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.382444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.382444 (E_RNA) where: Base-Base interactions energy: -1518.895 where: short stacking energy: -638.614 Base-Backbone interact. energy: 1.621 local terms energy: -658.109317 where: bonds (distance) C4'-P energy: -101.739 bonds (distance) P-C4' energy: -138.730 flat angles C4'-P-C4' energy: -147.744 flat angles P-C4'-P energy: -94.718 tors. eta vs tors. theta energy: -175.179 Dist. restrs. and SS energy: 0.000 (S_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: 217 Temperature: 1.350000 Total energy: -1968.936623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.936623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.936623 (E_RNA) where: Base-Base interactions energy: -1355.556 where: short stacking energy: -564.542 Base-Backbone interact. energy: -1.598 local terms energy: -611.781735 where: bonds (distance) C4'-P energy: -99.658 bonds (distance) P-C4' energy: -129.541 flat angles C4'-P-C4' energy: -130.451 flat angles P-C4'-P energy: -93.816 tors. eta vs tors. theta energy: -158.315 Dist. restrs. and SS energy: 0.000 (S_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: 218 Temperature: 0.900000 Total energy: -2718.014594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.014594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.014594 (E_RNA) where: Base-Base interactions energy: -1937.626 where: short stacking energy: -779.889 Base-Backbone interact. energy: -3.778 local terms energy: -776.611433 where: bonds (distance) C4'-P energy: -118.529 bonds (distance) P-C4' energy: -161.225 flat angles C4'-P-C4' energy: -157.930 flat angles P-C4'-P energy: -112.344 tors. eta vs tors. theta energy: -226.583 Dist. restrs. and SS energy: 0.000 (S_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: 218 Temperature: 0.950000 Total energy: -2692.619052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.619052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.619052 (E_RNA) where: Base-Base interactions energy: -1926.009 where: short stacking energy: -771.874 Base-Backbone interact. energy: 0.046 local terms energy: -766.655741 where: bonds (distance) C4'-P energy: -114.775 bonds (distance) P-C4' energy: -151.025 flat angles C4'-P-C4' energy: -163.271 flat angles P-C4'-P energy: -103.222 tors. eta vs tors. theta energy: -234.363 Dist. restrs. and SS energy: 0.000 (S_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: 218 Temperature: 1.000000 Total energy: -2633.969717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.969717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.969717 (E_RNA) where: Base-Base interactions energy: -1862.276 where: short stacking energy: -746.631 Base-Backbone interact. energy: -2.328 local terms energy: -769.365259 where: bonds (distance) C4'-P energy: -109.002 bonds (distance) P-C4' energy: -165.672 flat angles C4'-P-C4' energy: -154.239 flat angles P-C4'-P energy: -112.917 tors. eta vs tors. theta energy: -227.536 Dist. restrs. and SS energy: 0.000 (S_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: 218 Temperature: 1.050000 Total energy: -2552.209395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.209395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.209395 (E_RNA) where: Base-Base interactions energy: -1803.892 where: short stacking energy: -727.655 Base-Backbone interact. energy: -0.708 local terms energy: -747.608703 where: bonds (distance) C4'-P energy: -119.319 bonds (distance) P-C4' energy: -144.889 flat angles C4'-P-C4' energy: -158.715 flat angles P-C4'-P energy: -105.300 tors. eta vs tors. theta energy: -219.386 Dist. restrs. and SS energy: 0.000 (S_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: 218 Temperature: 1.100000 Total energy: -2532.237617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.237617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.237617 (E_RNA) where: Base-Base interactions energy: -1801.005 where: short stacking energy: -710.562 Base-Backbone interact. energy: -1.704 local terms energy: -729.528901 where: bonds (distance) C4'-P energy: -103.847 bonds (distance) P-C4' energy: -147.984 flat angles C4'-P-C4' energy: -161.792 flat angles P-C4'-P energy: -99.749 tors. eta vs tors. theta energy: -216.158 Dist. restrs. and SS energy: 0.000 (S_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: 218 Temperature: 1.150000 Total energy: -2495.337468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.337468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.337468 (E_RNA) where: Base-Base interactions energy: -1775.972 where: short stacking energy: -705.684 Base-Backbone interact. energy: -1.918 local terms energy: -717.446845 where: bonds (distance) C4'-P energy: -95.859 bonds (distance) P-C4' energy: -147.811 flat angles C4'-P-C4' energy: -154.082 flat angles P-C4'-P energy: -103.225 tors. eta vs tors. theta energy: -216.469 Dist. restrs. and SS energy: 0.000 (S_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: 218 Temperature: 1.200000 Total energy: -2415.868909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.868909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.868909 (E_RNA) where: Base-Base interactions energy: -1700.526 where: short stacking energy: -686.103 Base-Backbone interact. energy: 0.867 local terms energy: -716.209664 where: bonds (distance) C4'-P energy: -117.307 bonds (distance) P-C4' energy: -138.849 flat angles C4'-P-C4' energy: -145.890 flat angles P-C4'-P energy: -103.120 tors. eta vs tors. theta energy: -211.045 Dist. restrs. and SS energy: 0.000 (S_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: 218 Temperature: 1.250000 Total energy: -2373.561182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.561182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.561182 (E_RNA) where: Base-Base interactions energy: -1671.932 where: short stacking energy: -669.396 Base-Backbone interact. energy: -1.459 local terms energy: -700.170249 where: bonds (distance) C4'-P energy: -102.680 bonds (distance) P-C4' energy: -139.524 flat angles C4'-P-C4' energy: -149.044 flat angles P-C4'-P energy: -103.665 tors. eta vs tors. theta energy: -205.257 Dist. restrs. and SS energy: 0.000 (S_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: 218 Temperature: 1.300000 Total energy: -2200.839400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.839400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.839400 (E_RNA) where: Base-Base interactions energy: -1552.578 where: short stacking energy: -630.899 Base-Backbone interact. energy: -1.090 local terms energy: -647.171345 where: bonds (distance) C4'-P energy: -115.592 bonds (distance) P-C4' energy: -138.949 flat angles C4'-P-C4' energy: -136.203 flat angles P-C4'-P energy: -76.699 tors. eta vs tors. theta energy: -179.729 Dist. restrs. and SS energy: 0.000 (S_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: 218 Temperature: 1.350000 Total energy: -1997.158052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.158052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.158052 (E_RNA) where: Base-Base interactions energy: -1391.306 where: short stacking energy: -568.132 Base-Backbone interact. energy: -1.339 local terms energy: -604.513044 where: bonds (distance) C4'-P energy: -99.423 bonds (distance) P-C4' energy: -129.720 flat angles C4'-P-C4' energy: -127.337 flat angles P-C4'-P energy: -92.635 tors. eta vs tors. theta energy: -155.398 Dist. restrs. and SS energy: 0.000 (S_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: 219 Temperature: 0.900000 Total energy: -2729.974062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.974062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.974062 (E_RNA) where: Base-Base interactions energy: -1940.321 where: short stacking energy: -779.413 Base-Backbone interact. energy: -2.887 local terms energy: -786.765624 where: bonds (distance) C4'-P energy: -120.670 bonds (distance) P-C4' energy: -162.150 flat angles C4'-P-C4' energy: -157.866 flat angles P-C4'-P energy: -118.822 tors. eta vs tors. theta energy: -227.257 Dist. restrs. and SS energy: 0.000 (S_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: 219 Temperature: 0.950000 Total energy: -2666.235885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.235885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.235885 (E_RNA) where: Base-Base interactions energy: -1907.045 where: short stacking energy: -763.830 Base-Backbone interact. energy: -1.214 local terms energy: -757.977389 where: bonds (distance) C4'-P energy: -111.217 bonds (distance) P-C4' energy: -158.040 flat angles C4'-P-C4' energy: -156.037 flat angles P-C4'-P energy: -107.147 tors. eta vs tors. theta energy: -225.535 Dist. restrs. and SS energy: 0.000 (S_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: 219 Temperature: 1.000000 Total energy: -2633.293357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.293357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.293357 (E_RNA) where: Base-Base interactions energy: -1856.329 where: short stacking energy: -736.368 Base-Backbone interact. energy: -2.794 local terms energy: -774.170811 where: bonds (distance) C4'-P energy: -116.687 bonds (distance) P-C4' energy: -162.217 flat angles C4'-P-C4' energy: -167.304 flat angles P-C4'-P energy: -103.661 tors. eta vs tors. theta energy: -224.301 Dist. restrs. and SS energy: 0.000 (S_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: 219 Temperature: 1.050000 Total energy: -2573.192033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.192033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.192033 (E_RNA) where: Base-Base interactions energy: -1833.239 where: short stacking energy: -748.756 Base-Backbone interact. energy: 0.485 local terms energy: -740.438666 where: bonds (distance) C4'-P energy: -121.128 bonds (distance) P-C4' energy: -136.364 flat angles C4'-P-C4' energy: -157.448 flat angles P-C4'-P energy: -103.153 tors. eta vs tors. theta energy: -222.345 Dist. restrs. and SS energy: 0.000 (S_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: 219 Temperature: 1.100000 Total energy: -2539.242041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.242041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.242041 (E_RNA) where: Base-Base interactions energy: -1804.674 where: short stacking energy: -725.313 Base-Backbone interact. energy: -1.326 local terms energy: -733.241234 where: bonds (distance) C4'-P energy: -110.952 bonds (distance) P-C4' energy: -137.456 flat angles C4'-P-C4' energy: -159.208 flat angles P-C4'-P energy: -113.584 tors. eta vs tors. theta energy: -212.041 Dist. restrs. and SS energy: 0.000 (S_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: 219 Temperature: 1.150000 Total energy: -2505.070154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.070154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.070154 (E_RNA) where: Base-Base interactions energy: -1782.122 where: short stacking energy: -729.411 Base-Backbone interact. energy: -0.584 local terms energy: -722.364308 where: bonds (distance) C4'-P energy: -111.778 bonds (distance) P-C4' energy: -148.158 flat angles C4'-P-C4' energy: -140.672 flat angles P-C4'-P energy: -102.142 tors. eta vs tors. theta energy: -219.615 Dist. restrs. and SS energy: 0.000 (S_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: 219 Temperature: 1.200000 Total energy: -2387.467417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.467417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.467417 (E_RNA) where: Base-Base interactions energy: -1690.698 where: short stacking energy: -671.161 Base-Backbone interact. energy: -1.050 local terms energy: -695.719164 where: bonds (distance) C4'-P energy: -113.972 bonds (distance) P-C4' energy: -138.557 flat angles C4'-P-C4' energy: -149.874 flat angles P-C4'-P energy: -100.916 tors. eta vs tors. theta energy: -192.400 Dist. restrs. and SS energy: 0.000 (S_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: 219 Temperature: 1.250000 Total energy: -2362.153529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.153529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.153529 (E_RNA) where: Base-Base interactions energy: -1659.755 where: short stacking energy: -663.284 Base-Backbone interact. energy: 1.462 local terms energy: -703.860417 where: bonds (distance) C4'-P energy: -114.054 bonds (distance) P-C4' energy: -135.982 flat angles C4'-P-C4' energy: -157.125 flat angles P-C4'-P energy: -108.953 tors. eta vs tors. theta energy: -187.746 Dist. restrs. and SS energy: 0.000 (S_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: 219 Temperature: 1.300000 Total energy: -2179.245204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.245204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.245204 (E_RNA) where: Base-Base interactions energy: -1522.372 where: short stacking energy: -630.183 Base-Backbone interact. energy: -2.047 local terms energy: -654.826057 where: bonds (distance) C4'-P energy: -88.654 bonds (distance) P-C4' energy: -145.609 flat angles C4'-P-C4' energy: -150.724 flat angles P-C4'-P energy: -94.689 tors. eta vs tors. theta energy: -175.149 Dist. restrs. and SS energy: 0.000 (S_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: 219 Temperature: 1.350000 Total energy: -2078.003633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.003633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.003633 (E_RNA) where: Base-Base interactions energy: -1430.428 where: short stacking energy: -591.110 Base-Backbone interact. energy: -0.780 local terms energy: -646.795090 where: bonds (distance) C4'-P energy: -110.041 bonds (distance) P-C4' energy: -144.689 flat angles C4'-P-C4' energy: -131.041 flat angles P-C4'-P energy: -92.996 tors. eta vs tors. theta energy: -168.028 Dist. restrs. and SS energy: 0.000 (S_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: 220 Temperature: 0.900000 Total energy: -2724.383233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.383233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.383233 (E_RNA) where: Base-Base interactions energy: -1936.458 where: short stacking energy: -765.597 Base-Backbone interact. energy: -4.406 local terms energy: -783.519061 where: bonds (distance) C4'-P energy: -126.635 bonds (distance) P-C4' energy: -150.151 flat angles C4'-P-C4' energy: -162.751 flat angles P-C4'-P energy: -120.795 tors. eta vs tors. theta energy: -223.187 Dist. restrs. and SS energy: 0.000 (S_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: 220 Temperature: 0.950000 Total energy: -2671.296965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.296965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.296965 (E_RNA) where: Base-Base interactions energy: -1899.496 where: short stacking energy: -767.050 Base-Backbone interact. energy: -2.358 local terms energy: -769.442578 where: bonds (distance) C4'-P energy: -115.768 bonds (distance) P-C4' energy: -151.352 flat angles C4'-P-C4' energy: -158.397 flat angles P-C4'-P energy: -112.484 tors. eta vs tors. theta energy: -231.442 Dist. restrs. and SS energy: 0.000 (S_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: -2629.045839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.045839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.045839 (E_RNA) where: Base-Base interactions energy: -1868.189 where: short stacking energy: -735.945 Base-Backbone interact. energy: 0.058 local terms energy: -760.914778 where: bonds (distance) C4'-P energy: -116.406 bonds (distance) P-C4' energy: -149.164 flat angles C4'-P-C4' energy: -162.314 flat angles P-C4'-P energy: -100.931 tors. eta vs tors. theta energy: -232.101 Dist. restrs. and SS energy: 0.000 (S_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: 220 Temperature: 1.050000 Total energy: -2558.541443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.541443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.541443 (E_RNA) where: Base-Base interactions energy: -1814.506 where: short stacking energy: -741.729 Base-Backbone interact. energy: -2.393 local terms energy: -741.642782 where: bonds (distance) C4'-P energy: -116.412 bonds (distance) P-C4' energy: -146.208 flat angles C4'-P-C4' energy: -149.036 flat angles P-C4'-P energy: -103.205 tors. eta vs tors. theta energy: -226.783 Dist. restrs. and SS energy: 0.000 (S_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: 220 Temperature: 1.100000 Total energy: -2524.016128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.016128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.016128 (E_RNA) where: Base-Base interactions energy: -1792.094 where: short stacking energy: -737.604 Base-Backbone interact. energy: -3.305 local terms energy: -728.616896 where: bonds (distance) C4'-P energy: -106.609 bonds (distance) P-C4' energy: -143.522 flat angles C4'-P-C4' energy: -154.980 flat angles P-C4'-P energy: -102.603 tors. eta vs tors. theta energy: -220.904 Dist. restrs. and SS energy: 0.000 (S_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: 220 Temperature: 1.150000 Total energy: -2500.234319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.234319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.234319 (E_RNA) where: Base-Base interactions energy: -1777.834 where: short stacking energy: -729.283 Base-Backbone interact. energy: -1.801 local terms energy: -720.598980 where: bonds (distance) C4'-P energy: -97.658 bonds (distance) P-C4' energy: -158.266 flat angles C4'-P-C4' energy: -152.731 flat angles P-C4'-P energy: -101.249 tors. eta vs tors. theta energy: -210.695 Dist. restrs. and SS energy: 0.000 (S_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: 220 Temperature: 1.200000 Total energy: -2395.069981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.069981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.069981 (E_RNA) where: Base-Base interactions energy: -1695.186 where: short stacking energy: -689.122 Base-Backbone interact. energy: -1.611 local terms energy: -698.273057 where: bonds (distance) C4'-P energy: -104.535 bonds (distance) P-C4' energy: -144.105 flat angles C4'-P-C4' energy: -153.162 flat angles P-C4'-P energy: -92.738 tors. eta vs tors. theta energy: -203.734 Dist. restrs. and SS energy: 0.000 (S_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: 220 Temperature: 1.250000 Total energy: -2339.218797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.218797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.218797 (E_RNA) where: Base-Base interactions energy: -1658.731 where: short stacking energy: -673.000 Base-Backbone interact. energy: -1.171 local terms energy: -679.316248 where: bonds (distance) C4'-P energy: -106.196 bonds (distance) P-C4' energy: -122.807 flat angles C4'-P-C4' energy: -146.074 flat angles P-C4'-P energy: -109.194 tors. eta vs tors. theta energy: -195.045 Dist. restrs. and SS energy: 0.000 (S_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: 220 Temperature: 1.300000 Total energy: -2171.583367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.583367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.583367 (E_RNA) where: Base-Base interactions energy: -1516.398 where: short stacking energy: -618.776 Base-Backbone interact. energy: -1.219 local terms energy: -653.966381 where: bonds (distance) C4'-P energy: -99.368 bonds (distance) P-C4' energy: -130.763 flat angles C4'-P-C4' energy: -151.342 flat angles P-C4'-P energy: -91.508 tors. eta vs tors. theta energy: -180.984 Dist. restrs. and SS energy: 0.000 (S_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: -2066.250898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.250898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.250898 (E_RNA) where: Base-Base interactions energy: -1442.130 where: short stacking energy: -588.525 Base-Backbone interact. energy: 3.366 local terms energy: -627.487141 where: bonds (distance) C4'-P energy: -97.065 bonds (distance) P-C4' energy: -123.673 flat angles C4'-P-C4' energy: -138.303 flat angles P-C4'-P energy: -99.544 tors. eta vs tors. theta energy: -168.901 Dist. restrs. and SS energy: 0.000 (S_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: 221 Temperature: 0.900000 Total energy: -2715.105278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.105278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.105278 (E_RNA) where: Base-Base interactions energy: -1929.388 where: short stacking energy: -760.630 Base-Backbone interact. energy: -4.623 local terms energy: -781.094224 where: bonds (distance) C4'-P energy: -122.898 bonds (distance) P-C4' energy: -158.598 flat angles C4'-P-C4' energy: -163.854 flat angles P-C4'-P energy: -109.819 tors. eta vs tors. theta energy: -225.925 Dist. restrs. and SS energy: 0.000 (S_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: 221 Temperature: 0.950000 Total energy: -2679.349782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.349782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.349782 (E_RNA) where: Base-Base interactions energy: -1903.557 where: short stacking energy: -761.898 Base-Backbone interact. energy: -1.585 local terms energy: -774.207566 where: bonds (distance) C4'-P energy: -114.166 bonds (distance) P-C4' energy: -157.598 flat angles C4'-P-C4' energy: -157.730 flat angles P-C4'-P energy: -110.721 tors. eta vs tors. theta energy: -233.993 Dist. restrs. and SS energy: 0.000 (S_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: 221 Temperature: 1.000000 Total energy: -2635.072032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.072032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.072032 (E_RNA) where: Base-Base interactions energy: -1877.105 where: short stacking energy: -752.657 Base-Backbone interact. energy: -1.949 local terms energy: -756.017778 where: bonds (distance) C4'-P energy: -120.337 bonds (distance) P-C4' energy: -145.319 flat angles C4'-P-C4' energy: -156.195 flat angles P-C4'-P energy: -107.707 tors. eta vs tors. theta energy: -226.460 Dist. restrs. and SS energy: 0.000 (S_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: 221 Temperature: 1.050000 Total energy: -2572.411338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.411338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.411338 (E_RNA) where: Base-Base interactions energy: -1810.458 where: short stacking energy: -734.359 Base-Backbone interact. energy: -2.318 local terms energy: -759.635036 where: bonds (distance) C4'-P energy: -107.631 bonds (distance) P-C4' energy: -149.370 flat angles C4'-P-C4' energy: -159.743 flat angles P-C4'-P energy: -121.406 tors. eta vs tors. theta energy: -221.485 Dist. restrs. and SS energy: 0.000 (S_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: 221 Temperature: 1.100000 Total energy: -2495.844528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.844528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.844528 (E_RNA) where: Base-Base interactions energy: -1789.749 where: short stacking energy: -704.412 Base-Backbone interact. energy: 2.717 local terms energy: -708.812916 where: bonds (distance) C4'-P energy: -93.360 bonds (distance) P-C4' energy: -151.408 flat angles C4'-P-C4' energy: -150.098 flat angles P-C4'-P energy: -104.082 tors. eta vs tors. theta energy: -209.865 Dist. restrs. and SS energy: 0.000 (S_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: 221 Temperature: 1.150000 Total energy: -2468.068140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.068140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.068140 (E_RNA) where: Base-Base interactions energy: -1747.432 where: short stacking energy: -707.910 Base-Backbone interact. energy: -1.943 local terms energy: -718.693305 where: bonds (distance) C4'-P energy: -120.760 bonds (distance) P-C4' energy: -126.499 flat angles C4'-P-C4' energy: -152.177 flat angles P-C4'-P energy: -100.207 tors. eta vs tors. theta energy: -219.049 Dist. restrs. and SS energy: 0.000 (S_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: -2427.333545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.333545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.333545 (E_RNA) where: Base-Base interactions energy: -1710.837 where: short stacking energy: -691.983 Base-Backbone interact. energy: -1.615 local terms energy: -714.881947 where: bonds (distance) C4'-P energy: -112.621 bonds (distance) P-C4' energy: -146.127 flat angles C4'-P-C4' energy: -147.470 flat angles P-C4'-P energy: -105.883 tors. eta vs tors. theta energy: -202.782 Dist. restrs. and SS energy: 0.000 (S_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: 221 Temperature: 1.250000 Total energy: -2351.070879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.070879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.070879 (E_RNA) where: Base-Base interactions energy: -1651.113 where: short stacking energy: -665.116 Base-Backbone interact. energy: -1.451 local terms energy: -698.507427 where: bonds (distance) C4'-P energy: -111.882 bonds (distance) P-C4' energy: -134.711 flat angles C4'-P-C4' energy: -148.907 flat angles P-C4'-P energy: -103.352 tors. eta vs tors. theta energy: -199.654 Dist. restrs. and SS energy: 0.000 (S_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: 221 Temperature: 1.300000 Total energy: -2175.888281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.888281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.888281 (E_RNA) where: Base-Base interactions energy: -1506.483 where: short stacking energy: -620.254 Base-Backbone interact. energy: -1.061 local terms energy: -668.344149 where: bonds (distance) C4'-P energy: -100.430 bonds (distance) P-C4' energy: -137.751 flat angles C4'-P-C4' energy: -153.396 flat angles P-C4'-P energy: -100.039 tors. eta vs tors. theta energy: -176.728 Dist. restrs. and SS energy: 0.000 (S_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: -2085.102913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.102913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.102913 (E_RNA) where: Base-Base interactions energy: -1449.779 where: short stacking energy: -597.549 Base-Backbone interact. energy: -1.978 local terms energy: -633.346350 where: bonds (distance) C4'-P energy: -114.825 bonds (distance) P-C4' energy: -135.631 flat angles C4'-P-C4' energy: -131.193 flat angles P-C4'-P energy: -88.224 tors. eta vs tors. theta energy: -163.474 Dist. restrs. and SS energy: 0.000 (S_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: 222 Temperature: 0.900000 Total energy: -2707.177232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.177232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.177232 (E_RNA) where: Base-Base interactions energy: -1916.573 where: short stacking energy: -762.239 Base-Backbone interact. energy: -1.900 local terms energy: -788.705088 where: bonds (distance) C4'-P energy: -130.356 bonds (distance) P-C4' energy: -151.644 flat angles C4'-P-C4' energy: -165.197 flat angles P-C4'-P energy: -113.186 tors. eta vs tors. theta energy: -228.321 Dist. restrs. and SS energy: 0.000 (S_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: 222 Temperature: 0.950000 Total energy: -2696.104559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.104559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.104559 (E_RNA) where: Base-Base interactions energy: -1906.947 where: short stacking energy: -766.606 Base-Backbone interact. energy: 0.613 local terms energy: -789.771394 where: bonds (distance) C4'-P energy: -133.103 bonds (distance) P-C4' energy: -149.502 flat angles C4'-P-C4' energy: -163.524 flat angles P-C4'-P energy: -105.883 tors. eta vs tors. theta energy: -237.759 Dist. restrs. and SS energy: 0.000 (S_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: 222 Temperature: 1.000000 Total energy: -2635.453295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.453295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.453295 (E_RNA) where: Base-Base interactions energy: -1886.200 where: short stacking energy: -762.011 Base-Backbone interact. energy: -1.637 local terms energy: -747.616045 where: bonds (distance) C4'-P energy: -112.194 bonds (distance) P-C4' energy: -143.592 flat angles C4'-P-C4' energy: -153.467 flat angles P-C4'-P energy: -108.985 tors. eta vs tors. theta energy: -229.378 Dist. restrs. and SS energy: 0.000 (S_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: 222 Temperature: 1.050000 Total energy: -2584.586447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.586447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.586447 (E_RNA) where: Base-Base interactions energy: -1824.557 where: short stacking energy: -736.942 Base-Backbone interact. energy: -2.057 local terms energy: -757.972508 where: bonds (distance) C4'-P energy: -120.223 bonds (distance) P-C4' energy: -158.358 flat angles C4'-P-C4' energy: -157.481 flat angles P-C4'-P energy: -106.851 tors. eta vs tors. theta energy: -215.059 Dist. restrs. and SS energy: 0.000 (S_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: 222 Temperature: 1.100000 Total energy: -2516.672829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.672829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.672829 (E_RNA) where: Base-Base interactions energy: -1787.523 where: short stacking energy: -726.348 Base-Backbone interact. energy: 0.048 local terms energy: -729.198138 where: bonds (distance) C4'-P energy: -106.569 bonds (distance) P-C4' energy: -149.467 flat angles C4'-P-C4' energy: -156.337 flat angles P-C4'-P energy: -102.755 tors. eta vs tors. theta energy: -214.070 Dist. restrs. and SS energy: 0.000 (S_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: 222 Temperature: 1.150000 Total energy: -2482.549254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.549254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.549254 (E_RNA) where: Base-Base interactions energy: -1762.717 where: short stacking energy: -716.590 Base-Backbone interact. energy: -2.416 local terms energy: -717.416197 where: bonds (distance) C4'-P energy: -104.517 bonds (distance) P-C4' energy: -128.535 flat angles C4'-P-C4' energy: -161.284 flat angles P-C4'-P energy: -104.908 tors. eta vs tors. theta energy: -218.171 Dist. restrs. and SS energy: 0.000 (S_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: 222 Temperature: 1.200000 Total energy: -2385.791671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.791671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.791671 (E_RNA) where: Base-Base interactions energy: -1678.171 where: short stacking energy: -650.038 Base-Backbone interact. energy: -2.180 local terms energy: -705.440466 where: bonds (distance) C4'-P energy: -115.145 bonds (distance) P-C4' energy: -143.441 flat angles C4'-P-C4' energy: -140.761 flat angles P-C4'-P energy: -99.065 tors. eta vs tors. theta energy: -207.029 Dist. restrs. and SS energy: 0.000 (S_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: 222 Temperature: 1.250000 Total energy: -2428.938446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.938446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.938446 (E_RNA) where: Base-Base interactions energy: -1725.208 where: short stacking energy: -679.452 Base-Backbone interact. energy: -1.257 local terms energy: -702.473666 where: bonds (distance) C4'-P energy: -111.387 bonds (distance) P-C4' energy: -142.762 flat angles C4'-P-C4' energy: -147.724 flat angles P-C4'-P energy: -99.198 tors. eta vs tors. theta energy: -201.403 Dist. restrs. and SS energy: 0.000 (S_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: 222 Temperature: 1.300000 Total energy: -2180.520289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.520289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.520289 (E_RNA) where: Base-Base interactions energy: -1529.280 where: short stacking energy: -622.132 Base-Backbone interact. energy: -0.899 local terms energy: -650.341453 where: bonds (distance) C4'-P energy: -109.668 bonds (distance) P-C4' energy: -144.249 flat angles C4'-P-C4' energy: -138.210 flat angles P-C4'-P energy: -89.972 tors. eta vs tors. theta energy: -168.243 Dist. restrs. and SS energy: 0.000 (S_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: 222 Temperature: 1.350000 Total energy: -2037.090185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.090185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.090185 (E_RNA) where: Base-Base interactions energy: -1390.676 where: short stacking energy: -565.385 Base-Backbone interact. energy: -1.368 local terms energy: -645.046670 where: bonds (distance) C4'-P energy: -106.986 bonds (distance) P-C4' energy: -138.394 flat angles C4'-P-C4' energy: -138.899 flat angles P-C4'-P energy: -90.592 tors. eta vs tors. theta energy: -170.175 Dist. restrs. and SS energy: 0.000 (S_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: 223 Temperature: 0.900000 Total energy: -2707.095954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.095954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.095954 (E_RNA) where: Base-Base interactions energy: -1922.869 where: short stacking energy: -772.463 Base-Backbone interact. energy: -0.351 local terms energy: -783.876904 where: bonds (distance) C4'-P energy: -127.859 bonds (distance) P-C4' energy: -165.362 flat angles C4'-P-C4' energy: -149.598 flat angles P-C4'-P energy: -112.405 tors. eta vs tors. theta energy: -228.653 Dist. restrs. and SS energy: 0.000 (S_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: 223 Temperature: 0.950000 Total energy: -2689.830972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.830972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.830972 (E_RNA) where: Base-Base interactions energy: -1901.198 where: short stacking energy: -765.022 Base-Backbone interact. energy: -1.711 local terms energy: -786.922421 where: bonds (distance) C4'-P energy: -120.276 bonds (distance) P-C4' energy: -154.191 flat angles C4'-P-C4' energy: -167.468 flat angles P-C4'-P energy: -107.429 tors. eta vs tors. theta energy: -237.557 Dist. restrs. and SS energy: 0.000 (S_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: 223 Temperature: 1.000000 Total energy: -2656.920557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.920557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.920557 (E_RNA) where: Base-Base interactions energy: -1888.060 where: short stacking energy: -745.422 Base-Backbone interact. energy: -0.876 local terms energy: -767.984587 where: bonds (distance) C4'-P energy: -120.641 bonds (distance) P-C4' energy: -147.851 flat angles C4'-P-C4' energy: -161.836 flat angles P-C4'-P energy: -114.406 tors. eta vs tors. theta energy: -223.251 Dist. restrs. and SS energy: 0.000 (S_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: 223 Temperature: 1.050000 Total energy: -2557.399426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.399426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.399426 (E_RNA) where: Base-Base interactions energy: -1820.919 where: short stacking energy: -724.055 Base-Backbone interact. energy: -2.201 local terms energy: -734.278838 where: bonds (distance) C4'-P energy: -115.793 bonds (distance) P-C4' energy: -154.378 flat angles C4'-P-C4' energy: -151.292 flat angles P-C4'-P energy: -102.358 tors. eta vs tors. theta energy: -210.458 Dist. restrs. and SS energy: 0.000 (S_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: 223 Temperature: 1.100000 Total energy: -2543.870532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.870532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.870532 (E_RNA) where: Base-Base interactions energy: -1814.069 where: short stacking energy: -733.114 Base-Backbone interact. energy: -1.983 local terms energy: -727.818498 where: bonds (distance) C4'-P energy: -103.410 bonds (distance) P-C4' energy: -131.667 flat angles C4'-P-C4' energy: -159.289 flat angles P-C4'-P energy: -106.721 tors. eta vs tors. theta energy: -226.731 Dist. restrs. and SS energy: 0.000 (S_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: 223 Temperature: 1.150000 Total energy: -2513.825793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.825793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.825793 (E_RNA) where: Base-Base interactions energy: -1793.017 where: short stacking energy: -726.116 Base-Backbone interact. energy: -1.032 local terms energy: -719.777626 where: bonds (distance) C4'-P energy: -101.939 bonds (distance) P-C4' energy: -142.318 flat angles C4'-P-C4' energy: -150.451 flat angles P-C4'-P energy: -106.722 tors. eta vs tors. theta energy: -218.349 Dist. restrs. and SS energy: 0.000 (S_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: 223 Temperature: 1.200000 Total energy: -2418.123158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.123158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.123158 (E_RNA) where: Base-Base interactions energy: -1720.618 where: short stacking energy: -699.718 Base-Backbone interact. energy: -1.852 local terms energy: -695.653006 where: bonds (distance) C4'-P energy: -112.017 bonds (distance) P-C4' energy: -137.046 flat angles C4'-P-C4' energy: -148.351 flat angles P-C4'-P energy: -101.735 tors. eta vs tors. theta energy: -196.504 Dist. restrs. and SS energy: 0.000 (S_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: 223 Temperature: 1.250000 Total energy: -2367.961826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.961826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.961826 (E_RNA) where: Base-Base interactions energy: -1681.248 where: short stacking energy: -677.516 Base-Backbone interact. energy: -0.665 local terms energy: -686.048078 where: bonds (distance) C4'-P energy: -102.644 bonds (distance) P-C4' energy: -142.730 flat angles C4'-P-C4' energy: -133.336 flat angles P-C4'-P energy: -101.824 tors. eta vs tors. theta energy: -205.515 Dist. restrs. and SS energy: 0.000 (S_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: 223 Temperature: 1.300000 Total energy: -2176.313762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.313762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.313762 (E_RNA) where: Base-Base interactions energy: -1508.291 where: short stacking energy: -612.203 Base-Backbone interact. energy: -1.151 local terms energy: -666.871646 where: bonds (distance) C4'-P energy: -104.326 bonds (distance) P-C4' energy: -153.961 flat angles C4'-P-C4' energy: -142.697 flat angles P-C4'-P energy: -87.826 tors. eta vs tors. theta energy: -178.062 Dist. restrs. and SS energy: 0.000 (S_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: 223 Temperature: 1.350000 Total energy: -2074.512811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.512811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.512811 (E_RNA) where: Base-Base interactions energy: -1437.357 where: short stacking energy: -576.137 Base-Backbone interact. energy: 1.587 local terms energy: -638.742830 where: bonds (distance) C4'-P energy: -111.423 bonds (distance) P-C4' energy: -138.533 flat angles C4'-P-C4' energy: -134.990 flat angles P-C4'-P energy: -88.817 tors. eta vs tors. theta energy: -164.980 Dist. restrs. and SS energy: 0.000 (S_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: 224 Temperature: 0.900000 Total energy: -2705.977925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.977925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.977925 (E_RNA) where: Base-Base interactions energy: -1928.241 where: short stacking energy: -774.904 Base-Backbone interact. energy: -1.404 local terms energy: -776.333028 where: bonds (distance) C4'-P energy: -129.462 bonds (distance) P-C4' energy: -149.506 flat angles C4'-P-C4' energy: -159.812 flat angles P-C4'-P energy: -108.708 tors. eta vs tors. theta energy: -228.846 Dist. restrs. and SS energy: 0.000 (S_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: 224 Temperature: 0.950000 Total energy: -2700.900559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.900559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.900559 (E_RNA) where: Base-Base interactions energy: -1933.742 where: short stacking energy: -762.815 Base-Backbone interact. energy: -1.819 local terms energy: -765.339376 where: bonds (distance) C4'-P energy: -121.060 bonds (distance) P-C4' energy: -153.240 flat angles C4'-P-C4' energy: -155.477 flat angles P-C4'-P energy: -102.754 tors. eta vs tors. theta energy: -232.809 Dist. restrs. and SS energy: 0.000 (S_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: 224 Temperature: 1.000000 Total energy: -2654.038143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.038143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.038143 (E_RNA) where: Base-Base interactions energy: -1874.718 where: short stacking energy: -753.854 Base-Backbone interact. energy: 0.925 local terms energy: -780.245604 where: bonds (distance) C4'-P energy: -113.035 bonds (distance) P-C4' energy: -158.541 flat angles C4'-P-C4' energy: -155.532 flat angles P-C4'-P energy: -114.952 tors. eta vs tors. theta energy: -238.185 Dist. restrs. and SS energy: 0.000 (S_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: 224 Temperature: 1.050000 Total energy: -2533.521130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.521130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.521130 (E_RNA) where: Base-Base interactions energy: -1798.753 where: short stacking energy: -717.254 Base-Backbone interact. energy: -1.598 local terms energy: -733.169764 where: bonds (distance) C4'-P energy: -107.459 bonds (distance) P-C4' energy: -152.640 flat angles C4'-P-C4' energy: -156.348 flat angles P-C4'-P energy: -105.698 tors. eta vs tors. theta energy: -211.024 Dist. restrs. and SS energy: 0.000 (S_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: 224 Temperature: 1.100000 Total energy: -2541.229882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.229882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.229882 (E_RNA) where: Base-Base interactions energy: -1797.916 where: short stacking energy: -736.059 Base-Backbone interact. energy: -2.014 local terms energy: -741.299534 where: bonds (distance) C4'-P energy: -112.281 bonds (distance) P-C4' energy: -146.954 flat angles C4'-P-C4' energy: -144.729 flat angles P-C4'-P energy: -110.589 tors. eta vs tors. theta energy: -226.747 Dist. restrs. and SS energy: 0.000 (S_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: 224 Temperature: 1.150000 Total energy: -2500.811926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.811926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.811926 (E_RNA) where: Base-Base interactions energy: -1797.323 where: short stacking energy: -719.626 Base-Backbone interact. energy: -1.369 local terms energy: -702.120487 where: bonds (distance) C4'-P energy: -104.815 bonds (distance) P-C4' energy: -130.244 flat angles C4'-P-C4' energy: -153.198 flat angles P-C4'-P energy: -102.210 tors. eta vs tors. theta energy: -211.653 Dist. restrs. and SS energy: 0.000 (S_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: 224 Temperature: 1.200000 Total energy: -2415.693789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.693789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.693789 (E_RNA) where: Base-Base interactions energy: -1721.154 where: short stacking energy: -699.176 Base-Backbone interact. energy: 0.372 local terms energy: -694.911436 where: bonds (distance) C4'-P energy: -105.554 bonds (distance) P-C4' energy: -133.075 flat angles C4'-P-C4' energy: -139.312 flat angles P-C4'-P energy: -106.012 tors. eta vs tors. theta energy: -210.959 Dist. restrs. and SS energy: 0.000 (S_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: 224 Temperature: 1.250000 Total energy: -2372.589856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.589856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.589856 (E_RNA) where: Base-Base interactions energy: -1678.769 where: short stacking energy: -686.776 Base-Backbone interact. energy: 0.156 local terms energy: -693.976920 where: bonds (distance) C4'-P energy: -102.887 bonds (distance) P-C4' energy: -143.033 flat angles C4'-P-C4' energy: -149.590 flat angles P-C4'-P energy: -96.066 tors. eta vs tors. theta energy: -202.401 Dist. restrs. and SS energy: 0.000 (S_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: 224 Temperature: 1.300000 Total energy: -2217.871720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.871720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.871720 (E_RNA) where: Base-Base interactions energy: -1559.983 where: short stacking energy: -622.142 Base-Backbone interact. energy: 0.537 local terms energy: -658.425443 where: bonds (distance) C4'-P energy: -105.273 bonds (distance) P-C4' energy: -136.760 flat angles C4'-P-C4' energy: -134.583 flat angles P-C4'-P energy: -95.752 tors. eta vs tors. theta energy: -186.056 Dist. restrs. and SS energy: 0.000 (S_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: 224 Temperature: 1.350000 Total energy: -2056.968317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.968317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.968317 (E_RNA) where: Base-Base interactions energy: -1409.085 where: short stacking energy: -574.888 Base-Backbone interact. energy: -0.494 local terms energy: -647.389970 where: bonds (distance) C4'-P energy: -114.006 bonds (distance) P-C4' energy: -143.561 flat angles C4'-P-C4' energy: -145.356 flat angles P-C4'-P energy: -86.018 tors. eta vs tors. theta energy: -158.448 Dist. restrs. and SS energy: 0.000 (S_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: 225 Temperature: 0.900000 Total energy: -2715.203409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.203409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.203409 (E_RNA) where: Base-Base interactions energy: -1930.783 where: short stacking energy: -778.747 Base-Backbone interact. energy: -3.621 local terms energy: -780.799310 where: bonds (distance) C4'-P energy: -117.349 bonds (distance) P-C4' energy: -158.169 flat angles C4'-P-C4' energy: -159.666 flat angles P-C4'-P energy: -113.500 tors. eta vs tors. theta energy: -232.115 Dist. restrs. and SS energy: 0.000 (S_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: 225 Temperature: 0.950000 Total energy: -2699.445080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.445080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.445080 (E_RNA) where: Base-Base interactions energy: -1921.432 where: short stacking energy: -763.111 Base-Backbone interact. energy: -0.950 local terms energy: -777.062969 where: bonds (distance) C4'-P energy: -127.533 bonds (distance) P-C4' energy: -151.160 flat angles C4'-P-C4' energy: -157.271 flat angles P-C4'-P energy: -121.520 tors. eta vs tors. theta energy: -219.578 Dist. restrs. and SS energy: 0.000 (S_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: -2660.940287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.940287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.940287 (E_RNA) where: Base-Base interactions energy: -1884.427 where: short stacking energy: -741.883 Base-Backbone interact. energy: -0.459 local terms energy: -776.054043 where: bonds (distance) C4'-P energy: -114.011 bonds (distance) P-C4' energy: -154.577 flat angles C4'-P-C4' energy: -161.397 flat angles P-C4'-P energy: -111.993 tors. eta vs tors. theta energy: -234.076 Dist. restrs. and SS energy: 0.000 (S_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: 225 Temperature: 1.050000 Total energy: -2568.870166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.870166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.870166 (E_RNA) where: Base-Base interactions energy: -1818.050 where: short stacking energy: -738.015 Base-Backbone interact. energy: -1.408 local terms energy: -749.411860 where: bonds (distance) C4'-P energy: -115.719 bonds (distance) P-C4' energy: -146.439 flat angles C4'-P-C4' energy: -154.609 flat angles P-C4'-P energy: -106.539 tors. eta vs tors. theta energy: -226.106 Dist. restrs. and SS energy: 0.000 (S_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: -2501.609153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.609153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.609153 (E_RNA) where: Base-Base interactions energy: -1768.089 where: short stacking energy: -712.590 Base-Backbone interact. energy: 0.543 local terms energy: -734.062850 where: bonds (distance) C4'-P energy: -113.281 bonds (distance) P-C4' energy: -139.459 flat angles C4'-P-C4' energy: -159.121 flat angles P-C4'-P energy: -111.682 tors. eta vs tors. theta energy: -210.519 Dist. restrs. and SS energy: 0.000 (S_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: 225 Temperature: 1.150000 Total energy: -2488.506827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.506827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.506827 (E_RNA) where: Base-Base interactions energy: -1766.687 where: short stacking energy: -718.013 Base-Backbone interact. energy: -4.885 local terms energy: -716.934383 where: bonds (distance) C4'-P energy: -112.531 bonds (distance) P-C4' energy: -135.369 flat angles C4'-P-C4' energy: -149.479 flat angles P-C4'-P energy: -101.119 tors. eta vs tors. theta energy: -218.437 Dist. restrs. and SS energy: 0.000 (S_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: 225 Temperature: 1.200000 Total energy: -2399.987859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.987859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.987859 (E_RNA) where: Base-Base interactions energy: -1721.878 where: short stacking energy: -692.558 Base-Backbone interact. energy: -0.949 local terms energy: -677.161497 where: bonds (distance) C4'-P energy: -102.970 bonds (distance) P-C4' energy: -133.623 flat angles C4'-P-C4' energy: -143.939 flat angles P-C4'-P energy: -94.721 tors. eta vs tors. theta energy: -201.908 Dist. restrs. and SS energy: 0.000 (S_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: 225 Temperature: 1.250000 Total energy: -2347.006136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.006136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.006136 (E_RNA) where: Base-Base interactions energy: -1664.240 where: short stacking energy: -661.710 Base-Backbone interact. energy: -0.708 local terms energy: -682.058045 where: bonds (distance) C4'-P energy: -107.594 bonds (distance) P-C4' energy: -144.775 flat angles C4'-P-C4' energy: -142.083 flat angles P-C4'-P energy: -92.140 tors. eta vs tors. theta energy: -195.465 Dist. restrs. and SS energy: 0.000 (S_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: -2249.489093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.489093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.489093 (E_RNA) where: Base-Base interactions energy: -1576.670 where: short stacking energy: -632.385 Base-Backbone interact. energy: 1.903 local terms energy: -674.722691 where: bonds (distance) C4'-P energy: -115.610 bonds (distance) P-C4' energy: -131.410 flat angles C4'-P-C4' energy: -148.704 flat angles P-C4'-P energy: -95.806 tors. eta vs tors. theta energy: -183.193 Dist. restrs. and SS energy: 0.000 (S_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: 225 Temperature: 1.350000 Total energy: -2089.308039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.308039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.308039 (E_RNA) where: Base-Base interactions energy: -1446.732 where: short stacking energy: -590.233 Base-Backbone interact. energy: -3.886 local terms energy: -638.690340 where: bonds (distance) C4'-P energy: -103.406 bonds (distance) P-C4' energy: -134.200 flat angles C4'-P-C4' energy: -137.434 flat angles P-C4'-P energy: -91.235 tors. eta vs tors. theta energy: -172.415 Dist. restrs. and SS energy: 0.000 (S_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: -2701.428040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.428040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.428040 (E_RNA) where: Base-Base interactions energy: -1918.628 where: short stacking energy: -762.687 Base-Backbone interact. energy: -2.413 local terms energy: -780.387218 where: bonds (distance) C4'-P energy: -120.832 bonds (distance) P-C4' energy: -148.197 flat angles C4'-P-C4' energy: -161.574 flat angles P-C4'-P energy: -116.356 tors. eta vs tors. theta energy: -233.428 Dist. restrs. and SS energy: 0.000 (S_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: 226 Temperature: 0.950000 Total energy: -2681.111986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.111986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.111986 (E_RNA) where: Base-Base interactions energy: -1926.507 where: short stacking energy: -758.059 Base-Backbone interact. energy: 1.306 local terms energy: -755.911727 where: bonds (distance) C4'-P energy: -117.110 bonds (distance) P-C4' energy: -145.322 flat angles C4'-P-C4' energy: -161.223 flat angles P-C4'-P energy: -109.868 tors. eta vs tors. theta energy: -222.389 Dist. restrs. and SS energy: 0.000 (S_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: 226 Temperature: 1.000000 Total energy: -2664.370686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.370686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.370686 (E_RNA) where: Base-Base interactions energy: -1900.952 where: short stacking energy: -754.622 Base-Backbone interact. energy: 2.591 local terms energy: -766.009974 where: bonds (distance) C4'-P energy: -120.061 bonds (distance) P-C4' energy: -154.822 flat angles C4'-P-C4' energy: -154.790 flat angles P-C4'-P energy: -110.401 tors. eta vs tors. theta energy: -225.935 Dist. restrs. and SS energy: 0.000 (S_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: 226 Temperature: 1.050000 Total energy: -2552.803615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.803615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.803615 (E_RNA) where: Base-Base interactions energy: -1800.705 where: short stacking energy: -748.235 Base-Backbone interact. energy: -1.461 local terms energy: -750.638271 where: bonds (distance) C4'-P energy: -115.190 bonds (distance) P-C4' energy: -143.868 flat angles C4'-P-C4' energy: -159.832 flat angles P-C4'-P energy: -112.337 tors. eta vs tors. theta energy: -219.411 Dist. restrs. and SS energy: 0.000 (S_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: 226 Temperature: 1.100000 Total energy: -2508.568381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.568381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.568381 (E_RNA) where: Base-Base interactions energy: -1772.043 where: short stacking energy: -722.668 Base-Backbone interact. energy: -2.594 local terms energy: -733.930770 where: bonds (distance) C4'-P energy: -113.608 bonds (distance) P-C4' energy: -137.327 flat angles C4'-P-C4' energy: -161.640 flat angles P-C4'-P energy: -106.383 tors. eta vs tors. theta energy: -214.972 Dist. restrs. and SS energy: 0.000 (S_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: -2492.525764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.525764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.525764 (E_RNA) where: Base-Base interactions energy: -1769.672 where: short stacking energy: -718.472 Base-Backbone interact. energy: -1.283 local terms energy: -721.570039 where: bonds (distance) C4'-P energy: -117.659 bonds (distance) P-C4' energy: -134.282 flat angles C4'-P-C4' energy: -152.429 flat angles P-C4'-P energy: -101.788 tors. eta vs tors. theta energy: -215.411 Dist. restrs. and SS energy: 0.000 (S_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: 226 Temperature: 1.200000 Total energy: -2428.091680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.091680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.091680 (E_RNA) where: Base-Base interactions energy: -1721.734 where: short stacking energy: -682.410 Base-Backbone interact. energy: -1.338 local terms energy: -705.019156 where: bonds (distance) C4'-P energy: -105.985 bonds (distance) P-C4' energy: -143.330 flat angles C4'-P-C4' energy: -143.065 flat angles P-C4'-P energy: -101.275 tors. eta vs tors. theta energy: -211.364 Dist. restrs. and SS energy: 0.000 (S_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: 226 Temperature: 1.250000 Total energy: -2339.838355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.838355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.838355 (E_RNA) where: Base-Base interactions energy: -1660.164 where: short stacking energy: -669.856 Base-Backbone interact. energy: 0.654 local terms energy: -680.328414 where: bonds (distance) C4'-P energy: -111.810 bonds (distance) P-C4' energy: -128.877 flat angles C4'-P-C4' energy: -146.631 flat angles P-C4'-P energy: -98.467 tors. eta vs tors. theta energy: -194.543 Dist. restrs. and SS energy: 0.000 (S_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: 226 Temperature: 1.300000 Total energy: -2212.822388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.822388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.822388 (E_RNA) where: Base-Base interactions energy: -1540.418 where: short stacking energy: -641.961 Base-Backbone interact. energy: -1.699 local terms energy: -670.705501 where: bonds (distance) C4'-P energy: -107.418 bonds (distance) P-C4' energy: -150.285 flat angles C4'-P-C4' energy: -136.203 flat angles P-C4'-P energy: -88.495 tors. eta vs tors. theta energy: -188.304 Dist. restrs. and SS energy: 0.000 (S_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: 226 Temperature: 1.350000 Total energy: -2050.792605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.792605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.792605 (E_RNA) where: Base-Base interactions energy: -1417.111 where: short stacking energy: -565.813 Base-Backbone interact. energy: 0.179 local terms energy: -633.860070 where: bonds (distance) C4'-P energy: -102.676 bonds (distance) P-C4' energy: -135.679 flat angles C4'-P-C4' energy: -136.865 flat angles P-C4'-P energy: -89.919 tors. eta vs tors. theta energy: -168.721 Dist. restrs. and SS energy: 0.000 (S_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: -2705.912535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.912535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.912535 (E_RNA) where: Base-Base interactions energy: -1921.322 where: short stacking energy: -774.555 Base-Backbone interact. energy: 1.350 local terms energy: -785.941188 where: bonds (distance) C4'-P energy: -127.712 bonds (distance) P-C4' energy: -153.151 flat angles C4'-P-C4' energy: -160.962 flat angles P-C4'-P energy: -114.313 tors. eta vs tors. theta energy: -229.804 Dist. restrs. and SS energy: 0.000 (S_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: -2688.099569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.099569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.099569 (E_RNA) where: Base-Base interactions energy: -1908.839 where: short stacking energy: -762.281 Base-Backbone interact. energy: -1.922 local terms energy: -777.338618 where: bonds (distance) C4'-P energy: -130.757 bonds (distance) P-C4' energy: -150.258 flat angles C4'-P-C4' energy: -156.286 flat angles P-C4'-P energy: -111.919 tors. eta vs tors. theta energy: -228.119 Dist. restrs. and SS energy: 0.000 (S_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: 227 Temperature: 1.000000 Total energy: -2654.700321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.700321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.700321 (E_RNA) where: Base-Base interactions energy: -1874.434 where: short stacking energy: -769.783 Base-Backbone interact. energy: 0.118 local terms energy: -780.384933 where: bonds (distance) C4'-P energy: -121.831 bonds (distance) P-C4' energy: -150.137 flat angles C4'-P-C4' energy: -162.572 flat angles P-C4'-P energy: -112.689 tors. eta vs tors. theta energy: -233.156 Dist. restrs. and SS energy: 0.000 (S_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: 227 Temperature: 1.050000 Total energy: -2523.195271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.195271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.195271 (E_RNA) where: Base-Base interactions energy: -1796.752 where: short stacking energy: -733.307 Base-Backbone interact. energy: 1.625 local terms energy: -728.068361 where: bonds (distance) C4'-P energy: -125.318 bonds (distance) P-C4' energy: -134.967 flat angles C4'-P-C4' energy: -153.436 flat angles P-C4'-P energy: -101.221 tors. eta vs tors. theta energy: -213.126 Dist. restrs. and SS energy: 0.000 (S_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: 227 Temperature: 1.100000 Total energy: -2513.199656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.199656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.199656 (E_RNA) where: Base-Base interactions energy: -1774.549 where: short stacking energy: -700.759 Base-Backbone interact. energy: 0.358 local terms energy: -739.009413 where: bonds (distance) C4'-P energy: -121.707 bonds (distance) P-C4' energy: -142.893 flat angles C4'-P-C4' energy: -157.421 flat angles P-C4'-P energy: -107.409 tors. eta vs tors. theta energy: -209.579 Dist. restrs. and SS energy: 0.000 (S_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: 227 Temperature: 1.150000 Total energy: -2448.029290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.029290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.029290 (E_RNA) where: Base-Base interactions energy: -1730.504 where: short stacking energy: -706.081 Base-Backbone interact. energy: -0.907 local terms energy: -716.617355 where: bonds (distance) C4'-P energy: -118.982 bonds (distance) P-C4' energy: -146.557 flat angles C4'-P-C4' energy: -144.284 flat angles P-C4'-P energy: -105.824 tors. eta vs tors. theta energy: -200.970 Dist. restrs. and SS energy: 0.000 (S_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: -2449.836202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.836202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.836202 (E_RNA) where: Base-Base interactions energy: -1729.677 where: short stacking energy: -690.255 Base-Backbone interact. energy: -1.069 local terms energy: -719.089905 where: bonds (distance) C4'-P energy: -103.135 bonds (distance) P-C4' energy: -140.615 flat angles C4'-P-C4' energy: -155.013 flat angles P-C4'-P energy: -108.552 tors. eta vs tors. theta energy: -211.775 Dist. restrs. and SS energy: 0.000 (S_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: 227 Temperature: 1.250000 Total energy: -2342.817346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.817346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.817346 (E_RNA) where: Base-Base interactions energy: -1643.703 where: short stacking energy: -655.412 Base-Backbone interact. energy: -2.816 local terms energy: -696.298613 where: bonds (distance) C4'-P energy: -123.448 bonds (distance) P-C4' energy: -139.802 flat angles C4'-P-C4' energy: -136.801 flat angles P-C4'-P energy: -99.184 tors. eta vs tors. theta energy: -197.063 Dist. restrs. and SS energy: 0.000 (S_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: 227 Temperature: 1.300000 Total energy: -2238.507634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.507634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.507634 (E_RNA) where: Base-Base interactions energy: -1605.004 where: short stacking energy: -656.756 Base-Backbone interact. energy: -0.984 local terms energy: -632.519376 where: bonds (distance) C4'-P energy: -90.087 bonds (distance) P-C4' energy: -131.810 flat angles C4'-P-C4' energy: -140.676 flat angles P-C4'-P energy: -84.370 tors. eta vs tors. theta energy: -185.576 Dist. restrs. and SS energy: 0.000 (S_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: 227 Temperature: 1.350000 Total energy: -2105.613203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.613203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.613203 (E_RNA) where: Base-Base interactions energy: -1464.103 where: short stacking energy: -615.435 Base-Backbone interact. energy: -1.521 local terms energy: -639.988667 where: bonds (distance) C4'-P energy: -96.992 bonds (distance) P-C4' energy: -137.147 flat angles C4'-P-C4' energy: -138.870 flat angles P-C4'-P energy: -97.095 tors. eta vs tors. theta energy: -169.885 Dist. restrs. and SS energy: 0.000 (S_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: -2699.954515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.954515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.954515 (E_RNA) where: Base-Base interactions energy: -1920.182 where: short stacking energy: -753.831 Base-Backbone interact. energy: -2.917 local terms energy: -776.856036 where: bonds (distance) C4'-P energy: -129.334 bonds (distance) P-C4' energy: -156.932 flat angles C4'-P-C4' energy: -152.103 flat angles P-C4'-P energy: -109.436 tors. eta vs tors. theta energy: -229.051 Dist. restrs. and SS energy: 0.000 (S_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: -2692.800875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.800875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.800875 (E_RNA) where: Base-Base interactions energy: -1900.270 where: short stacking energy: -768.224 Base-Backbone interact. energy: -1.185 local terms energy: -791.345676 where: bonds (distance) C4'-P energy: -126.752 bonds (distance) P-C4' energy: -155.169 flat angles C4'-P-C4' energy: -160.947 flat angles P-C4'-P energy: -114.374 tors. eta vs tors. theta energy: -234.104 Dist. restrs. and SS energy: 0.000 (S_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: 228 Temperature: 1.000000 Total energy: -2668.830088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.830088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.830088 (E_RNA) where: Base-Base interactions energy: -1908.406 where: short stacking energy: -746.530 Base-Backbone interact. energy: -1.905 local terms energy: -758.519201 where: bonds (distance) C4'-P energy: -108.304 bonds (distance) P-C4' energy: -158.499 flat angles C4'-P-C4' energy: -157.544 flat angles P-C4'-P energy: -103.966 tors. eta vs tors. theta energy: -230.207 Dist. restrs. and SS energy: 0.000 (S_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: 228 Temperature: 1.050000 Total energy: -2544.036850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.036850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.036850 (E_RNA) where: Base-Base interactions energy: -1791.442 where: short stacking energy: -737.829 Base-Backbone interact. energy: 0.667 local terms energy: -753.261839 where: bonds (distance) C4'-P energy: -127.567 bonds (distance) P-C4' energy: -148.022 flat angles C4'-P-C4' energy: -153.211 flat angles P-C4'-P energy: -101.190 tors. eta vs tors. theta energy: -223.272 Dist. restrs. and SS energy: 0.000 (S_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: -2528.489670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.489670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.489670 (E_RNA) where: Base-Base interactions energy: -1785.909 where: short stacking energy: -720.740 Base-Backbone interact. energy: -1.393 local terms energy: -741.187818 where: bonds (distance) C4'-P energy: -114.494 bonds (distance) P-C4' energy: -139.783 flat angles C4'-P-C4' energy: -157.376 flat angles P-C4'-P energy: -109.435 tors. eta vs tors. theta energy: -220.100 Dist. restrs. and SS energy: 0.000 (S_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: 228 Temperature: 1.150000 Total energy: -2461.269501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.269501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.269501 (E_RNA) where: Base-Base interactions energy: -1752.795 where: short stacking energy: -712.936 Base-Backbone interact. energy: 1.499 local terms energy: -709.973576 where: bonds (distance) C4'-P energy: -115.672 bonds (distance) P-C4' energy: -132.291 flat angles C4'-P-C4' energy: -155.619 flat angles P-C4'-P energy: -91.157 tors. eta vs tors. theta energy: -215.235 Dist. restrs. and SS energy: 0.000 (S_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: 228 Temperature: 1.200000 Total energy: -2455.963237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.963237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.963237 (E_RNA) where: Base-Base interactions energy: -1754.176 where: short stacking energy: -703.313 Base-Backbone interact. energy: -0.989 local terms energy: -700.798301 where: bonds (distance) C4'-P energy: -100.207 bonds (distance) P-C4' energy: -141.145 flat angles C4'-P-C4' energy: -147.805 flat angles P-C4'-P energy: -104.093 tors. eta vs tors. theta energy: -207.549 Dist. restrs. and SS energy: 0.000 (S_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: 228 Temperature: 1.250000 Total energy: -2317.930871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.930871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.930871 (E_RNA) where: Base-Base interactions energy: -1635.238 where: short stacking energy: -654.730 Base-Backbone interact. energy: -1.875 local terms energy: -680.817628 where: bonds (distance) C4'-P energy: -109.525 bonds (distance) P-C4' energy: -131.016 flat angles C4'-P-C4' energy: -150.791 flat angles P-C4'-P energy: -98.894 tors. eta vs tors. theta energy: -190.591 Dist. restrs. and SS energy: 0.000 (S_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: -2249.648414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.648414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.648414 (E_RNA) where: Base-Base interactions energy: -1574.111 where: short stacking energy: -638.974 Base-Backbone interact. energy: -0.945 local terms energy: -674.592983 where: bonds (distance) C4'-P energy: -97.678 bonds (distance) P-C4' energy: -144.848 flat angles C4'-P-C4' energy: -154.231 flat angles P-C4'-P energy: -90.188 tors. eta vs tors. theta energy: -187.648 Dist. restrs. and SS energy: 0.000 (S_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: 228 Temperature: 1.350000 Total energy: -2030.129265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.129265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.129265 (E_RNA) where: Base-Base interactions energy: -1415.203 where: short stacking energy: -591.150 Base-Backbone interact. energy: 0.082 local terms energy: -615.008697 where: bonds (distance) C4'-P energy: -96.831 bonds (distance) P-C4' energy: -125.758 flat angles C4'-P-C4' energy: -130.556 flat angles P-C4'-P energy: -91.405 tors. eta vs tors. theta energy: -170.458 Dist. restrs. and SS energy: 0.000 (S_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: -2707.222225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.222225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.222225 (E_RNA) where: Base-Base interactions energy: -1933.979 where: short stacking energy: -755.579 Base-Backbone interact. energy: -1.153 local terms energy: -772.090352 where: bonds (distance) C4'-P energy: -118.227 bonds (distance) P-C4' energy: -159.516 flat angles C4'-P-C4' energy: -158.831 flat angles P-C4'-P energy: -113.320 tors. eta vs tors. theta energy: -222.197 Dist. restrs. and SS energy: 0.000 (S_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: 229 Temperature: 0.950000 Total energy: -2706.630397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.630397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.630397 (E_RNA) where: Base-Base interactions energy: -1905.064 where: short stacking energy: -765.096 Base-Backbone interact. energy: 0.969 local terms energy: -802.535366 where: bonds (distance) C4'-P energy: -127.314 bonds (distance) P-C4' energy: -154.146 flat angles C4'-P-C4' energy: -170.350 flat angles P-C4'-P energy: -120.742 tors. eta vs tors. theta energy: -229.984 Dist. restrs. and SS energy: 0.000 (S_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: 229 Temperature: 1.000000 Total energy: -2668.899874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.899874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.899874 (E_RNA) where: Base-Base interactions energy: -1881.164 where: short stacking energy: -760.516 Base-Backbone interact. energy: -3.872 local terms energy: -783.864232 where: bonds (distance) C4'-P energy: -123.724 bonds (distance) P-C4' energy: -157.594 flat angles C4'-P-C4' energy: -165.959 flat angles P-C4'-P energy: -106.710 tors. eta vs tors. theta energy: -229.876 Dist. restrs. and SS energy: 0.000 (S_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: -2592.521725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.521725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.521725 (E_RNA) where: Base-Base interactions energy: -1844.251 where: short stacking energy: -758.338 Base-Backbone interact. energy: -1.611 local terms energy: -746.660504 where: bonds (distance) C4'-P energy: -112.630 bonds (distance) P-C4' energy: -149.343 flat angles C4'-P-C4' energy: -151.567 flat angles P-C4'-P energy: -110.260 tors. eta vs tors. theta energy: -222.860 Dist. restrs. and SS energy: 0.000 (S_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: 229 Temperature: 1.100000 Total energy: -2516.113688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.113688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.113688 (E_RNA) where: Base-Base interactions energy: -1786.381 where: short stacking energy: -720.016 Base-Backbone interact. energy: -0.726 local terms energy: -729.006988 where: bonds (distance) C4'-P energy: -120.516 bonds (distance) P-C4' energy: -144.450 flat angles C4'-P-C4' energy: -141.667 flat angles P-C4'-P energy: -102.373 tors. eta vs tors. theta energy: -220.002 Dist. restrs. and SS energy: 0.000 (S_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: 229 Temperature: 1.150000 Total energy: -2475.809014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.809014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.809014 (E_RNA) where: Base-Base interactions energy: -1751.426 where: short stacking energy: -697.212 Base-Backbone interact. energy: -1.083 local terms energy: -723.299451 where: bonds (distance) C4'-P energy: -97.547 bonds (distance) P-C4' energy: -153.873 flat angles C4'-P-C4' energy: -152.454 flat angles P-C4'-P energy: -106.143 tors. eta vs tors. theta energy: -213.282 Dist. restrs. and SS energy: 0.000 (S_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: 229 Temperature: 1.200000 Total energy: -2431.320670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.320670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.320670 (E_RNA) where: Base-Base interactions energy: -1724.837 where: short stacking energy: -692.422 Base-Backbone interact. energy: -2.231 local terms energy: -704.252358 where: bonds (distance) C4'-P energy: -115.313 bonds (distance) P-C4' energy: -133.578 flat angles C4'-P-C4' energy: -146.244 flat angles P-C4'-P energy: -99.162 tors. eta vs tors. theta energy: -209.955 Dist. restrs. and SS energy: 0.000 (S_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: 229 Temperature: 1.250000 Total energy: -2321.571997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.571997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.571997 (E_RNA) where: Base-Base interactions energy: -1628.182 where: short stacking energy: -657.607 Base-Backbone interact. energy: -0.619 local terms energy: -692.771367 where: bonds (distance) C4'-P energy: -110.116 bonds (distance) P-C4' energy: -146.114 flat angles C4'-P-C4' energy: -142.857 flat angles P-C4'-P energy: -100.135 tors. eta vs tors. theta energy: -193.550 Dist. restrs. and SS energy: 0.000 (S_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: 229 Temperature: 1.300000 Total energy: -2247.865050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.865050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.865050 (E_RNA) where: Base-Base interactions energy: -1570.011 where: short stacking energy: -639.656 Base-Backbone interact. energy: -1.836 local terms energy: -676.017881 where: bonds (distance) C4'-P energy: -107.914 bonds (distance) P-C4' energy: -139.045 flat angles C4'-P-C4' energy: -144.445 flat angles P-C4'-P energy: -90.892 tors. eta vs tors. theta energy: -193.722 Dist. restrs. and SS energy: 0.000 (S_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: 229 Temperature: 1.350000 Total energy: -2052.601499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.601499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.601499 (E_RNA) where: Base-Base interactions energy: -1420.015 where: short stacking energy: -596.548 Base-Backbone interact. energy: -1.369 local terms energy: -631.217462 where: bonds (distance) C4'-P energy: -91.173 bonds (distance) P-C4' energy: -143.434 flat angles C4'-P-C4' energy: -149.261 flat angles P-C4'-P energy: -90.248 tors. eta vs tors. theta energy: -157.102 Dist. restrs. and SS energy: 0.000 (S_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: 230 Temperature: 0.900000 Total energy: -2701.248566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.248566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.248566 (E_RNA) where: Base-Base interactions energy: -1931.795 where: short stacking energy: -765.337 Base-Backbone interact. energy: -2.577 local terms energy: -766.876646 where: bonds (distance) C4'-P energy: -116.908 bonds (distance) P-C4' energy: -152.594 flat angles C4'-P-C4' energy: -163.008 flat angles P-C4'-P energy: -112.544 tors. eta vs tors. theta energy: -221.822 Dist. restrs. and SS energy: 0.000 (S_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: 230 Temperature: 0.950000 Total energy: -2691.412902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.412902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.412902 (E_RNA) where: Base-Base interactions energy: -1909.502 where: short stacking energy: -755.002 Base-Backbone interact. energy: -1.478 local terms energy: -780.433617 where: bonds (distance) C4'-P energy: -128.489 bonds (distance) P-C4' energy: -151.524 flat angles C4'-P-C4' energy: -161.624 flat angles P-C4'-P energy: -106.253 tors. eta vs tors. theta energy: -232.544 Dist. restrs. and SS energy: 0.000 (S_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: 230 Temperature: 1.000000 Total energy: -2642.367743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.367743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.367743 (E_RNA) where: Base-Base interactions energy: -1885.965 where: short stacking energy: -756.947 Base-Backbone interact. energy: -2.538 local terms energy: -753.864886 where: bonds (distance) C4'-P energy: -121.091 bonds (distance) P-C4' energy: -124.288 flat angles C4'-P-C4' energy: -162.953 flat angles P-C4'-P energy: -112.059 tors. eta vs tors. theta energy: -233.473 Dist. restrs. and SS energy: 0.000 (S_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: 230 Temperature: 1.050000 Total energy: -2556.359962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.359962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.359962 (E_RNA) where: Base-Base interactions energy: -1802.293 where: short stacking energy: -711.992 Base-Backbone interact. energy: -1.262 local terms energy: -752.804488 where: bonds (distance) C4'-P energy: -109.459 bonds (distance) P-C4' energy: -148.110 flat angles C4'-P-C4' energy: -160.929 flat angles P-C4'-P energy: -107.182 tors. eta vs tors. theta energy: -227.124 Dist. restrs. and SS energy: 0.000 (S_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: 230 Temperature: 1.100000 Total energy: -2529.471788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.471788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.471788 (E_RNA) where: Base-Base interactions energy: -1791.866 where: short stacking energy: -722.913 Base-Backbone interact. energy: 0.287 local terms energy: -737.892285 where: bonds (distance) C4'-P energy: -124.875 bonds (distance) P-C4' energy: -147.431 flat angles C4'-P-C4' energy: -148.074 flat angles P-C4'-P energy: -101.417 tors. eta vs tors. theta energy: -216.095 Dist. restrs. and SS energy: 0.000 (S_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: 230 Temperature: 1.150000 Total energy: -2498.768498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.768498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.768498 (E_RNA) where: Base-Base interactions energy: -1754.718 where: short stacking energy: -703.031 Base-Backbone interact. energy: -2.396 local terms energy: -741.654831 where: bonds (distance) C4'-P energy: -119.555 bonds (distance) P-C4' energy: -142.036 flat angles C4'-P-C4' energy: -152.002 flat angles P-C4'-P energy: -112.146 tors. eta vs tors. theta energy: -215.915 Dist. restrs. and SS energy: 0.000 (S_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: 230 Temperature: 1.200000 Total energy: -2440.096685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.096685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.096685 (E_RNA) where: Base-Base interactions energy: -1732.367 where: short stacking energy: -718.095 Base-Backbone interact. energy: -1.551 local terms energy: -706.178523 where: bonds (distance) C4'-P energy: -106.440 bonds (distance) P-C4' energy: -143.152 flat angles C4'-P-C4' energy: -144.820 flat angles P-C4'-P energy: -97.872 tors. eta vs tors. theta energy: -213.895 Dist. restrs. and SS energy: 0.000 (S_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: 230 Temperature: 1.250000 Total energy: -2376.393228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.393228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.393228 (E_RNA) where: Base-Base interactions energy: -1686.926 where: short stacking energy: -675.900 Base-Backbone interact. energy: 0.660 local terms energy: -690.127606 where: bonds (distance) C4'-P energy: -101.330 bonds (distance) P-C4' energy: -147.872 flat angles C4'-P-C4' energy: -144.648 flat angles P-C4'-P energy: -92.258 tors. eta vs tors. theta energy: -204.019 Dist. restrs. and SS energy: 0.000 (S_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: 230 Temperature: 1.300000 Total energy: -2189.651276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.651276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.651276 (E_RNA) where: Base-Base interactions energy: -1523.159 where: short stacking energy: -640.446 Base-Backbone interact. energy: -1.874 local terms energy: -664.618449 where: bonds (distance) C4'-P energy: -103.190 bonds (distance) P-C4' energy: -143.137 flat angles C4'-P-C4' energy: -136.112 flat angles P-C4'-P energy: -96.429 tors. eta vs tors. theta energy: -185.751 Dist. restrs. and SS energy: 0.000 (S_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: 230 Temperature: 1.350000 Total energy: -2039.808216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.808216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.808216 (E_RNA) where: Base-Base interactions energy: -1424.330 where: short stacking energy: -580.622 Base-Backbone interact. energy: 0.660 local terms energy: -616.137953 where: bonds (distance) C4'-P energy: -100.410 bonds (distance) P-C4' energy: -134.071 flat angles C4'-P-C4' energy: -129.441 flat angles P-C4'-P energy: -89.100 tors. eta vs tors. theta energy: -163.116 Dist. restrs. and SS energy: 0.000 (S_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: 231 Temperature: 0.900000 Total energy: -2713.669555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.669555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.669555 (E_RNA) where: Base-Base interactions energy: -1943.421 where: short stacking energy: -761.527 Base-Backbone interact. energy: 1.662 local terms energy: -771.910712 where: bonds (distance) C4'-P energy: -127.828 bonds (distance) P-C4' energy: -148.779 flat angles C4'-P-C4' energy: -161.126 flat angles P-C4'-P energy: -114.095 tors. eta vs tors. theta energy: -220.083 Dist. restrs. and SS energy: 0.000 (S_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: 231 Temperature: 0.950000 Total energy: -2691.487432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.487432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.487432 (E_RNA) where: Base-Base interactions energy: -1922.136 where: short stacking energy: -763.092 Base-Backbone interact. energy: -4.018 local terms energy: -765.333502 where: bonds (distance) C4'-P energy: -119.666 bonds (distance) P-C4' energy: -154.218 flat angles C4'-P-C4' energy: -160.034 flat angles P-C4'-P energy: -107.659 tors. eta vs tors. theta energy: -223.756 Dist. restrs. and SS energy: 0.000 (S_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: 231 Temperature: 1.000000 Total energy: -2622.031770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.031770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.031770 (E_RNA) where: Base-Base interactions energy: -1848.034 where: short stacking energy: -748.360 Base-Backbone interact. energy: -1.805 local terms energy: -772.192708 where: bonds (distance) C4'-P energy: -116.414 bonds (distance) P-C4' energy: -152.163 flat angles C4'-P-C4' energy: -161.339 flat angles P-C4'-P energy: -113.836 tors. eta vs tors. theta energy: -228.440 Dist. restrs. and SS energy: 0.000 (S_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: 231 Temperature: 1.050000 Total energy: -2519.940920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.940920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.940920 (E_RNA) where: Base-Base interactions energy: -1798.982 where: short stacking energy: -713.346 Base-Backbone interact. energy: -1.648 local terms energy: -719.311153 where: bonds (distance) C4'-P energy: -106.636 bonds (distance) P-C4' energy: -148.907 flat angles C4'-P-C4' energy: -158.231 flat angles P-C4'-P energy: -97.104 tors. eta vs tors. theta energy: -208.433 Dist. restrs. and SS energy: 0.000 (S_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: 231 Temperature: 1.100000 Total energy: -2514.154729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.154729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.154729 (E_RNA) where: Base-Base interactions energy: -1786.285 where: short stacking energy: -728.108 Base-Backbone interact. energy: -1.704 local terms energy: -726.165986 where: bonds (distance) C4'-P energy: -102.638 bonds (distance) P-C4' energy: -135.114 flat angles C4'-P-C4' energy: -161.060 flat angles P-C4'-P energy: -107.728 tors. eta vs tors. theta energy: -219.626 Dist. restrs. and SS energy: 0.000 (S_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: 231 Temperature: 1.150000 Total energy: -2502.980321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.980321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.980321 (E_RNA) where: Base-Base interactions energy: -1784.132 where: short stacking energy: -710.321 Base-Backbone interact. energy: 1.734 local terms energy: -720.583182 where: bonds (distance) C4'-P energy: -116.449 bonds (distance) P-C4' energy: -145.953 flat angles C4'-P-C4' energy: -137.855 flat angles P-C4'-P energy: -111.564 tors. eta vs tors. theta energy: -208.762 Dist. restrs. and SS energy: 0.000 (S_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: 231 Temperature: 1.200000 Total energy: -2445.631860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.631860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.631860 (E_RNA) where: Base-Base interactions energy: -1732.173 where: short stacking energy: -719.860 Base-Backbone interact. energy: -0.405 local terms energy: -713.054079 where: bonds (distance) C4'-P energy: -99.070 bonds (distance) P-C4' energy: -138.291 flat angles C4'-P-C4' energy: -153.793 flat angles P-C4'-P energy: -103.784 tors. eta vs tors. theta energy: -218.116 Dist. restrs. and SS energy: 0.000 (S_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: 231 Temperature: 1.250000 Total energy: -2348.255053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.255053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.255053 (E_RNA) where: Base-Base interactions energy: -1643.367 where: short stacking energy: -657.699 Base-Backbone interact. energy: -0.547 local terms energy: -704.340653 where: bonds (distance) C4'-P energy: -106.501 bonds (distance) P-C4' energy: -150.858 flat angles C4'-P-C4' energy: -161.882 flat angles P-C4'-P energy: -86.070 tors. eta vs tors. theta energy: -199.029 Dist. restrs. and SS energy: 0.000 (S_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: 231 Temperature: 1.300000 Total energy: -2210.886373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.886373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.886373 (E_RNA) where: Base-Base interactions energy: -1556.629 where: short stacking energy: -637.825 Base-Backbone interact. energy: 0.569 local terms energy: -654.826621 where: bonds (distance) C4'-P energy: -98.151 bonds (distance) P-C4' energy: -138.536 flat angles C4'-P-C4' energy: -144.792 flat angles P-C4'-P energy: -88.796 tors. eta vs tors. theta energy: -184.551 Dist. restrs. and SS energy: 0.000 (S_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: 231 Temperature: 1.350000 Total energy: -1972.723274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.723274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.723274 (E_RNA) where: Base-Base interactions energy: -1353.896 where: short stacking energy: -582.052 Base-Backbone interact. energy: -0.863 local terms energy: -617.964294 where: bonds (distance) C4'-P energy: -90.705 bonds (distance) P-C4' energy: -148.829 flat angles C4'-P-C4' energy: -124.625 flat angles P-C4'-P energy: -82.856 tors. eta vs tors. theta energy: -170.949 Dist. restrs. and SS energy: 0.000 (S_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: 232 Temperature: 0.900000 Total energy: -2713.183694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.183694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.183694 (E_RNA) where: Base-Base interactions energy: -1943.393 where: short stacking energy: -778.451 Base-Backbone interact. energy: -1.093 local terms energy: -768.698056 where: bonds (distance) C4'-P energy: -121.769 bonds (distance) P-C4' energy: -150.467 flat angles C4'-P-C4' energy: -157.848 flat angles P-C4'-P energy: -110.298 tors. eta vs tors. theta energy: -228.316 Dist. restrs. and SS energy: 0.000 (S_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: 232 Temperature: 0.950000 Total energy: -2699.456478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.456478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.456478 (E_RNA) where: Base-Base interactions energy: -1924.768 where: short stacking energy: -762.549 Base-Backbone interact. energy: -1.695 local terms energy: -772.993974 where: bonds (distance) C4'-P energy: -117.812 bonds (distance) P-C4' energy: -151.567 flat angles C4'-P-C4' energy: -163.215 flat angles P-C4'-P energy: -113.643 tors. eta vs tors. theta energy: -226.756 Dist. restrs. and SS energy: 0.000 (S_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: 232 Temperature: 1.000000 Total energy: -2634.425801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.425801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.425801 (E_RNA) where: Base-Base interactions energy: -1875.722 where: short stacking energy: -765.574 Base-Backbone interact. energy: -1.020 local terms energy: -757.683660 where: bonds (distance) C4'-P energy: -113.264 bonds (distance) P-C4' energy: -152.301 flat angles C4'-P-C4' energy: -160.004 flat angles P-C4'-P energy: -100.557 tors. eta vs tors. theta energy: -231.557 Dist. restrs. and SS energy: 0.000 (S_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: 232 Temperature: 1.050000 Total energy: -2510.273200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.273200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.273200 (E_RNA) where: Base-Base interactions energy: -1778.169 where: short stacking energy: -709.866 Base-Backbone interact. energy: -3.048 local terms energy: -729.056466 where: bonds (distance) C4'-P energy: -101.368 bonds (distance) P-C4' energy: -145.878 flat angles C4'-P-C4' energy: -158.203 flat angles P-C4'-P energy: -106.468 tors. eta vs tors. theta energy: -217.139 Dist. restrs. and SS energy: 0.000 (S_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: 232 Temperature: 1.100000 Total energy: -2533.318957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.318957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.318957 (E_RNA) where: Base-Base interactions energy: -1796.177 where: short stacking energy: -725.051 Base-Backbone interact. energy: -2.549 local terms energy: -734.592373 where: bonds (distance) C4'-P energy: -121.798 bonds (distance) P-C4' energy: -144.680 flat angles C4'-P-C4' energy: -149.330 flat angles P-C4'-P energy: -101.233 tors. eta vs tors. theta energy: -217.553 Dist. restrs. and SS energy: 0.000 (S_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: 232 Temperature: 1.150000 Total energy: -2507.952861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.952861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.952861 (E_RNA) where: Base-Base interactions energy: -1761.864 where: short stacking energy: -712.648 Base-Backbone interact. energy: -0.922 local terms energy: -745.166833 where: bonds (distance) C4'-P energy: -118.235 bonds (distance) P-C4' energy: -152.617 flat angles C4'-P-C4' energy: -161.291 flat angles P-C4'-P energy: -96.002 tors. eta vs tors. theta energy: -217.022 Dist. restrs. and SS energy: 0.000 (S_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: 232 Temperature: 1.200000 Total energy: -2445.169325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.169325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.169325 (E_RNA) where: Base-Base interactions energy: -1750.649 where: short stacking energy: -715.587 Base-Backbone interact. energy: -1.083 local terms energy: -693.437209 where: bonds (distance) C4'-P energy: -103.838 bonds (distance) P-C4' energy: -142.956 flat angles C4'-P-C4' energy: -140.381 flat angles P-C4'-P energy: -96.570 tors. eta vs tors. theta energy: -209.693 Dist. restrs. and SS energy: 0.000 (S_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: -2339.801062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.801062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.801062 (E_RNA) where: Base-Base interactions energy: -1647.395 where: short stacking energy: -668.445 Base-Backbone interact. energy: 0.988 local terms energy: -693.394260 where: bonds (distance) C4'-P energy: -98.633 bonds (distance) P-C4' energy: -147.594 flat angles C4'-P-C4' energy: -152.637 flat angles P-C4'-P energy: -99.686 tors. eta vs tors. theta energy: -194.844 Dist. restrs. and SS energy: 0.000 (S_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: 232 Temperature: 1.300000 Total energy: -2216.482725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.482725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.482725 (E_RNA) where: Base-Base interactions energy: -1571.158 where: short stacking energy: -660.701 Base-Backbone interact. energy: -1.315 local terms energy: -644.009165 where: bonds (distance) C4'-P energy: -96.001 bonds (distance) P-C4' energy: -128.755 flat angles C4'-P-C4' energy: -138.654 flat angles P-C4'-P energy: -94.067 tors. eta vs tors. theta energy: -186.532 Dist. restrs. and SS energy: 0.000 (S_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: 232 Temperature: 1.350000 Total energy: -1979.444077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.444077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.444077 (E_RNA) where: Base-Base interactions energy: -1364.127 where: short stacking energy: -566.367 Base-Backbone interact. energy: -2.318 local terms energy: -612.999401 where: bonds (distance) C4'-P energy: -86.781 bonds (distance) P-C4' energy: -140.753 flat angles C4'-P-C4' energy: -138.132 flat angles P-C4'-P energy: -91.497 tors. eta vs tors. theta energy: -155.836 Dist. restrs. and SS energy: 0.000 (S_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: 233 Temperature: 0.900000 Total energy: -2706.387426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.387426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.387426 (E_RNA) where: Base-Base interactions energy: -1938.824 where: short stacking energy: -773.303 Base-Backbone interact. energy: -2.474 local terms energy: -765.089687 where: bonds (distance) C4'-P energy: -124.587 bonds (distance) P-C4' energy: -155.367 flat angles C4'-P-C4' energy: -155.743 flat angles P-C4'-P energy: -108.738 tors. eta vs tors. theta energy: -220.655 Dist. restrs. and SS energy: 0.000 (S_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: 233 Temperature: 0.950000 Total energy: -2693.392682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.392682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.392682 (E_RNA) where: Base-Base interactions energy: -1912.591 where: short stacking energy: -750.481 Base-Backbone interact. energy: -0.313 local terms energy: -780.488333 where: bonds (distance) C4'-P energy: -125.880 bonds (distance) P-C4' energy: -151.134 flat angles C4'-P-C4' energy: -164.474 flat angles P-C4'-P energy: -108.257 tors. eta vs tors. theta energy: -230.742 Dist. restrs. and SS energy: 0.000 (S_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: 233 Temperature: 1.000000 Total energy: -2624.344466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.344466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.344466 (E_RNA) where: Base-Base interactions energy: -1877.741 where: short stacking energy: -755.883 Base-Backbone interact. energy: -2.001 local terms energy: -744.602639 where: bonds (distance) C4'-P energy: -116.632 bonds (distance) P-C4' energy: -145.393 flat angles C4'-P-C4' energy: -162.956 flat angles P-C4'-P energy: -89.383 tors. eta vs tors. theta energy: -230.239 Dist. restrs. and SS energy: 0.000 (S_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: 233 Temperature: 1.050000 Total energy: -2593.629357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.629357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.629357 (E_RNA) where: Base-Base interactions energy: -1841.156 where: short stacking energy: -758.664 Base-Backbone interact. energy: -1.856 local terms energy: -750.617098 where: bonds (distance) C4'-P energy: -108.927 bonds (distance) P-C4' energy: -159.550 flat angles C4'-P-C4' energy: -153.524 flat angles P-C4'-P energy: -101.451 tors. eta vs tors. theta energy: -227.164 Dist. restrs. and SS energy: 0.000 (S_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: 233 Temperature: 1.100000 Total energy: -2497.384638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.384638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.384638 (E_RNA) where: Base-Base interactions energy: -1780.086 where: short stacking energy: -715.154 Base-Backbone interact. energy: -1.493 local terms energy: -715.805365 where: bonds (distance) C4'-P energy: -103.576 bonds (distance) P-C4' energy: -144.687 flat angles C4'-P-C4' energy: -154.068 flat angles P-C4'-P energy: -112.147 tors. eta vs tors. theta energy: -201.328 Dist. restrs. and SS energy: 0.000 (S_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: 233 Temperature: 1.150000 Total energy: -2463.133733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.133733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.133733 (E_RNA) where: Base-Base interactions energy: -1742.304 where: short stacking energy: -695.335 Base-Backbone interact. energy: -3.148 local terms energy: -717.682009 where: bonds (distance) C4'-P energy: -102.342 bonds (distance) P-C4' energy: -147.683 flat angles C4'-P-C4' energy: -150.872 flat angles P-C4'-P energy: -107.675 tors. eta vs tors. theta energy: -209.111 Dist. restrs. and SS energy: 0.000 (S_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: 233 Temperature: 1.200000 Total energy: -2429.402257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.402257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.402257 (E_RNA) where: Base-Base interactions energy: -1725.655 where: short stacking energy: -692.459 Base-Backbone interact. energy: -0.544 local terms energy: -703.203213 where: bonds (distance) C4'-P energy: -104.407 bonds (distance) P-C4' energy: -148.997 flat angles C4'-P-C4' energy: -148.375 flat angles P-C4'-P energy: -95.579 tors. eta vs tors. theta energy: -205.846 Dist. restrs. and SS energy: 0.000 (S_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: 233 Temperature: 1.250000 Total energy: -2323.863761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.863761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.863761 (E_RNA) where: Base-Base interactions energy: -1665.553 where: short stacking energy: -664.710 Base-Backbone interact. energy: -1.319 local terms energy: -656.991968 where: bonds (distance) C4'-P energy: -107.424 bonds (distance) P-C4' energy: -121.057 flat angles C4'-P-C4' energy: -133.447 flat angles P-C4'-P energy: -103.814 tors. eta vs tors. theta energy: -191.250 Dist. restrs. and SS energy: 0.000 (S_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: 233 Temperature: 1.300000 Total energy: -2189.131530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.131530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.131530 (E_RNA) where: Base-Base interactions energy: -1529.889 where: short stacking energy: -635.333 Base-Backbone interact. energy: -1.797 local terms energy: -657.445476 where: bonds (distance) C4'-P energy: -102.266 bonds (distance) P-C4' energy: -144.398 flat angles C4'-P-C4' energy: -137.667 flat angles P-C4'-P energy: -93.811 tors. eta vs tors. theta energy: -179.303 Dist. restrs. and SS energy: 0.000 (S_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: 233 Temperature: 1.350000 Total energy: -2008.179482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.179482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.179482 (E_RNA) where: Base-Base interactions energy: -1392.213 where: short stacking energy: -581.552 Base-Backbone interact. energy: -0.189 local terms energy: -615.777421 where: bonds (distance) C4'-P energy: -110.221 bonds (distance) P-C4' energy: -130.504 flat angles C4'-P-C4' energy: -138.365 flat angles P-C4'-P energy: -80.902 tors. eta vs tors. theta energy: -155.785 Dist. restrs. and SS energy: 0.000 (S_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: 234 Temperature: 0.900000 Total energy: -2711.682884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.682884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.682884 (E_RNA) where: Base-Base interactions energy: -1927.579 where: short stacking energy: -786.249 Base-Backbone interact. energy: -0.757 local terms energy: -783.347691 where: bonds (distance) C4'-P energy: -123.476 bonds (distance) P-C4' energy: -150.199 flat angles C4'-P-C4' energy: -162.337 flat angles P-C4'-P energy: -117.662 tors. eta vs tors. theta energy: -229.673 Dist. restrs. and SS energy: 0.000 (S_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: 234 Temperature: 0.950000 Total energy: -2681.753525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.753525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.753525 (E_RNA) where: Base-Base interactions energy: -1907.190 where: short stacking energy: -748.111 Base-Backbone interact. energy: -3.309 local terms energy: -771.253844 where: bonds (distance) C4'-P energy: -117.084 bonds (distance) P-C4' energy: -159.712 flat angles C4'-P-C4' energy: -157.447 flat angles P-C4'-P energy: -111.337 tors. eta vs tors. theta energy: -225.673 Dist. restrs. and SS energy: 0.000 (S_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: 234 Temperature: 1.000000 Total energy: -2635.105538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.105538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.105538 (E_RNA) where: Base-Base interactions energy: -1875.855 where: short stacking energy: -736.342 Base-Backbone interact. energy: -0.224 local terms energy: -759.027012 where: bonds (distance) C4'-P energy: -109.045 bonds (distance) P-C4' energy: -156.484 flat angles C4'-P-C4' energy: -157.780 flat angles P-C4'-P energy: -113.191 tors. eta vs tors. theta energy: -222.526 Dist. restrs. and SS energy: 0.000 (S_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: 234 Temperature: 1.050000 Total energy: -2581.361952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.361952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.361952 (E_RNA) where: Base-Base interactions energy: -1827.176 where: short stacking energy: -738.276 Base-Backbone interact. energy: -0.656 local terms energy: -753.529743 where: bonds (distance) C4'-P energy: -117.228 bonds (distance) P-C4' energy: -132.918 flat angles C4'-P-C4' energy: -161.843 flat angles P-C4'-P energy: -115.501 tors. eta vs tors. theta energy: -226.040 Dist. restrs. and SS energy: 0.000 (S_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: 234 Temperature: 1.100000 Total energy: -2536.170364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.170364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.170364 (E_RNA) where: Base-Base interactions energy: -1801.821 where: short stacking energy: -717.511 Base-Backbone interact. energy: -0.330 local terms energy: -734.019364 where: bonds (distance) C4'-P energy: -114.453 bonds (distance) P-C4' energy: -144.952 flat angles C4'-P-C4' energy: -152.772 flat angles P-C4'-P energy: -104.660 tors. eta vs tors. theta energy: -217.183 Dist. restrs. and SS energy: 0.000 (S_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: 234 Temperature: 1.150000 Total energy: -2479.665986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.665986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.665986 (E_RNA) where: Base-Base interactions energy: -1777.585 where: short stacking energy: -710.646 Base-Backbone interact. energy: -0.784 local terms energy: -701.297796 where: bonds (distance) C4'-P energy: -117.546 bonds (distance) P-C4' energy: -121.387 flat angles C4'-P-C4' energy: -146.600 flat angles P-C4'-P energy: -103.245 tors. eta vs tors. theta energy: -212.519 Dist. restrs. and SS energy: 0.000 (S_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: 234 Temperature: 1.200000 Total energy: -2364.640446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.640446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.640446 (E_RNA) where: Base-Base interactions energy: -1696.500 where: short stacking energy: -671.638 Base-Backbone interact. energy: -1.551 local terms energy: -666.589245 where: bonds (distance) C4'-P energy: -102.579 bonds (distance) P-C4' energy: -135.594 flat angles C4'-P-C4' energy: -139.422 flat angles P-C4'-P energy: -93.955 tors. eta vs tors. theta energy: -195.039 Dist. restrs. and SS energy: 0.000 (S_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: 234 Temperature: 1.250000 Total energy: -2359.407470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.407470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.407470 (E_RNA) where: Base-Base interactions energy: -1677.337 where: short stacking energy: -676.831 Base-Backbone interact. energy: -1.394 local terms energy: -680.675893 where: bonds (distance) C4'-P energy: -102.873 bonds (distance) P-C4' energy: -127.856 flat angles C4'-P-C4' energy: -145.135 flat angles P-C4'-P energy: -96.594 tors. eta vs tors. theta energy: -208.219 Dist. restrs. and SS energy: 0.000 (S_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: 234 Temperature: 1.300000 Total energy: -2219.511346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.511346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.511346 (E_RNA) where: Base-Base interactions energy: -1550.239 where: short stacking energy: -616.083 Base-Backbone interact. energy: -0.832 local terms energy: -668.439538 where: bonds (distance) C4'-P energy: -104.666 bonds (distance) P-C4' energy: -136.989 flat angles C4'-P-C4' energy: -149.230 flat angles P-C4'-P energy: -103.033 tors. eta vs tors. theta energy: -174.521 Dist. restrs. and SS energy: 0.000 (S_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: 234 Temperature: 1.350000 Total energy: -1978.578564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.578564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.578564 (E_RNA) where: Base-Base interactions energy: -1355.784 where: short stacking energy: -562.957 Base-Backbone interact. energy: -1.048 local terms energy: -621.746771 where: bonds (distance) C4'-P energy: -100.062 bonds (distance) P-C4' energy: -138.053 flat angles C4'-P-C4' energy: -136.708 flat angles P-C4'-P energy: -86.556 tors. eta vs tors. theta energy: -160.367 Dist. restrs. and SS energy: 0.000 (S_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: 235 Temperature: 0.900000 Total energy: -2727.780602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.780602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.780602 (E_RNA) where: Base-Base interactions energy: -1935.733 where: short stacking energy: -778.912 Base-Backbone interact. energy: -3.499 local terms energy: -788.548218 where: bonds (distance) C4'-P energy: -119.271 bonds (distance) P-C4' energy: -156.112 flat angles C4'-P-C4' energy: -164.950 flat angles P-C4'-P energy: -113.692 tors. eta vs tors. theta energy: -234.524 Dist. restrs. and SS energy: 0.000 (S_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: 235 Temperature: 0.950000 Total energy: -2692.130458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.130458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.130458 (E_RNA) where: Base-Base interactions energy: -1931.425 where: short stacking energy: -765.732 Base-Backbone interact. energy: -1.842 local terms energy: -758.863848 where: bonds (distance) C4'-P energy: -118.078 bonds (distance) P-C4' energy: -142.614 flat angles C4'-P-C4' energy: -165.674 flat angles P-C4'-P energy: -108.933 tors. eta vs tors. theta energy: -223.565 Dist. restrs. and SS energy: 0.000 (S_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: 235 Temperature: 1.000000 Total energy: -2648.671233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.671233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.671233 (E_RNA) where: Base-Base interactions energy: -1888.809 where: short stacking energy: -758.897 Base-Backbone interact. energy: -0.360 local terms energy: -759.502569 where: bonds (distance) C4'-P energy: -129.059 bonds (distance) P-C4' energy: -148.461 flat angles C4'-P-C4' energy: -157.297 flat angles P-C4'-P energy: -109.978 tors. eta vs tors. theta energy: -214.707 Dist. restrs. and SS energy: 0.000 (S_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: 235 Temperature: 1.050000 Total energy: -2579.193913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.193913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.193913 (E_RNA) where: Base-Base interactions energy: -1803.260 where: short stacking energy: -729.234 Base-Backbone interact. energy: -1.728 local terms energy: -774.206125 where: bonds (distance) C4'-P energy: -125.730 bonds (distance) P-C4' energy: -150.271 flat angles C4'-P-C4' energy: -159.648 flat angles P-C4'-P energy: -116.011 tors. eta vs tors. theta energy: -222.546 Dist. restrs. and SS energy: 0.000 (S_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: 235 Temperature: 1.100000 Total energy: -2503.418099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.418099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.418099 (E_RNA) where: Base-Base interactions energy: -1784.797 where: short stacking energy: -728.312 Base-Backbone interact. energy: 0.783 local terms energy: -719.404011 where: bonds (distance) C4'-P energy: -113.044 bonds (distance) P-C4' energy: -144.683 flat angles C4'-P-C4' energy: -149.814 flat angles P-C4'-P energy: -94.320 tors. eta vs tors. theta energy: -217.543 Dist. restrs. and SS energy: 0.000 (S_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: 235 Temperature: 1.150000 Total energy: -2403.180386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.180386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.180386 (E_RNA) where: Base-Base interactions energy: -1679.450 where: short stacking energy: -681.116 Base-Backbone interact. energy: -2.050 local terms energy: -721.680699 where: bonds (distance) C4'-P energy: -104.976 bonds (distance) P-C4' energy: -151.013 flat angles C4'-P-C4' energy: -159.376 flat angles P-C4'-P energy: -106.087 tors. eta vs tors. theta energy: -200.229 Dist. restrs. and SS energy: 0.000 (S_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: 235 Temperature: 1.200000 Total energy: -2401.747822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.747822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.747822 (E_RNA) where: Base-Base interactions energy: -1695.161 where: short stacking energy: -676.542 Base-Backbone interact. energy: -0.879 local terms energy: -705.708167 where: bonds (distance) C4'-P energy: -104.207 bonds (distance) P-C4' energy: -145.354 flat angles C4'-P-C4' energy: -154.003 flat angles P-C4'-P energy: -100.042 tors. eta vs tors. theta energy: -202.103 Dist. restrs. and SS energy: 0.000 (S_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: 235 Temperature: 1.250000 Total energy: -2372.016019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.016019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.016019 (E_RNA) where: Base-Base interactions energy: -1682.405 where: short stacking energy: -676.935 Base-Backbone interact. energy: -2.000 local terms energy: -687.611082 where: bonds (distance) C4'-P energy: -91.773 bonds (distance) P-C4' energy: -143.666 flat angles C4'-P-C4' energy: -146.649 flat angles P-C4'-P energy: -95.700 tors. eta vs tors. theta energy: -209.823 Dist. restrs. and SS energy: 0.000 (S_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: 235 Temperature: 1.300000 Total energy: -2228.057198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.057198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.057198 (E_RNA) where: Base-Base interactions energy: -1570.988 where: short stacking energy: -639.004 Base-Backbone interact. energy: -3.488 local terms energy: -653.581091 where: bonds (distance) C4'-P energy: -88.922 bonds (distance) P-C4' energy: -138.723 flat angles C4'-P-C4' energy: -134.819 flat angles P-C4'-P energy: -100.157 tors. eta vs tors. theta energy: -190.959 Dist. restrs. and SS energy: 0.000 (S_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: 235 Temperature: 1.350000 Total energy: -2020.801975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.801975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.801975 (E_RNA) where: Base-Base interactions energy: -1421.796 where: short stacking energy: -567.199 Base-Backbone interact. energy: -0.108 local terms energy: -598.897283 where: bonds (distance) C4'-P energy: -93.965 bonds (distance) P-C4' energy: -134.570 flat angles C4'-P-C4' energy: -131.007 flat angles P-C4'-P energy: -81.171 tors. eta vs tors. theta energy: -158.185 Dist. restrs. and SS energy: 0.000 (S_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: 236 Temperature: 0.900000 Total energy: -2718.878941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.878941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.878941 (E_RNA) where: Base-Base interactions energy: -1937.773 where: short stacking energy: -760.194 Base-Backbone interact. energy: -3.053 local terms energy: -778.053515 where: bonds (distance) C4'-P energy: -130.248 bonds (distance) P-C4' energy: -152.578 flat angles C4'-P-C4' energy: -157.831 flat angles P-C4'-P energy: -114.173 tors. eta vs tors. theta energy: -223.225 Dist. restrs. and SS energy: 0.000 (S_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: 236 Temperature: 0.950000 Total energy: -2685.521943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.521943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.521943 (E_RNA) where: Base-Base interactions energy: -1896.911 where: short stacking energy: -753.408 Base-Backbone interact. energy: -1.526 local terms energy: -787.084949 where: bonds (distance) C4'-P energy: -121.845 bonds (distance) P-C4' energy: -153.409 flat angles C4'-P-C4' energy: -158.770 flat angles P-C4'-P energy: -121.817 tors. eta vs tors. theta energy: -231.244 Dist. restrs. and SS energy: 0.000 (S_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: 236 Temperature: 1.000000 Total energy: -2665.222224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.222224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.222224 (E_RNA) where: Base-Base interactions energy: -1872.510 where: short stacking energy: -753.437 Base-Backbone interact. energy: 0.553 local terms energy: -793.265431 where: bonds (distance) C4'-P energy: -132.574 bonds (distance) P-C4' energy: -156.016 flat angles C4'-P-C4' energy: -167.095 flat angles P-C4'-P energy: -109.742 tors. eta vs tors. theta energy: -227.839 Dist. restrs. and SS energy: 0.000 (S_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: -2561.300137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.300137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.300137 (E_RNA) where: Base-Base interactions energy: -1804.643 where: short stacking energy: -723.373 Base-Backbone interact. energy: -1.299 local terms energy: -755.357264 where: bonds (distance) C4'-P energy: -113.699 bonds (distance) P-C4' energy: -157.928 flat angles C4'-P-C4' energy: -153.755 flat angles P-C4'-P energy: -109.748 tors. eta vs tors. theta energy: -220.227 Dist. restrs. and SS energy: 0.000 (S_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: -2512.087688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.087688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.087688 (E_RNA) where: Base-Base interactions energy: -1784.107 where: short stacking energy: -729.046 Base-Backbone interact. energy: -3.747 local terms energy: -724.234276 where: bonds (distance) C4'-P energy: -113.841 bonds (distance) P-C4' energy: -141.431 flat angles C4'-P-C4' energy: -156.176 flat angles P-C4'-P energy: -92.911 tors. eta vs tors. theta energy: -219.875 Dist. restrs. and SS energy: 0.000 (S_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: 236 Temperature: 1.150000 Total energy: -2393.258033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.258033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.258033 (E_RNA) where: Base-Base interactions energy: -1686.548 where: short stacking energy: -672.533 Base-Backbone interact. energy: -0.846 local terms energy: -705.863991 where: bonds (distance) C4'-P energy: -107.983 bonds (distance) P-C4' energy: -147.544 flat angles C4'-P-C4' energy: -158.360 flat angles P-C4'-P energy: -94.217 tors. eta vs tors. theta energy: -197.759 Dist. restrs. and SS energy: 0.000 (S_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: 236 Temperature: 1.200000 Total energy: -2416.418867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.418867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.418867 (E_RNA) where: Base-Base interactions energy: -1718.656 where: short stacking energy: -708.353 Base-Backbone interact. energy: 0.242 local terms energy: -698.004799 where: bonds (distance) C4'-P energy: -98.754 bonds (distance) P-C4' energy: -144.072 flat angles C4'-P-C4' energy: -140.869 flat angles P-C4'-P energy: -102.973 tors. eta vs tors. theta energy: -211.337 Dist. restrs. and SS energy: 0.000 (S_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: 236 Temperature: 1.250000 Total energy: -2395.687103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.687103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.687103 (E_RNA) where: Base-Base interactions energy: -1707.740 where: short stacking energy: -681.778 Base-Backbone interact. energy: -1.519 local terms energy: -686.428595 where: bonds (distance) C4'-P energy: -111.085 bonds (distance) P-C4' energy: -140.872 flat angles C4'-P-C4' energy: -149.687 flat angles P-C4'-P energy: -90.509 tors. eta vs tors. theta energy: -194.276 Dist. restrs. and SS energy: 0.000 (S_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: 236 Temperature: 1.300000 Total energy: -2241.708908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.708908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.708908 (E_RNA) where: Base-Base interactions energy: -1563.780 where: short stacking energy: -635.064 Base-Backbone interact. energy: -1.478 local terms energy: -676.450510 where: bonds (distance) C4'-P energy: -109.920 bonds (distance) P-C4' energy: -142.517 flat angles C4'-P-C4' energy: -136.866 flat angles P-C4'-P energy: -101.181 tors. eta vs tors. theta energy: -185.966 Dist. restrs. and SS energy: 0.000 (S_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: 236 Temperature: 1.350000 Total energy: -2061.131380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.131380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.131380 (E_RNA) where: Base-Base interactions energy: -1430.036 where: short stacking energy: -604.440 Base-Backbone interact. energy: -2.726 local terms energy: -628.368980 where: bonds (distance) C4'-P energy: -106.848 bonds (distance) P-C4' energy: -134.534 flat angles C4'-P-C4' energy: -129.442 flat angles P-C4'-P energy: -94.012 tors. eta vs tors. theta energy: -163.533 Dist. restrs. and SS energy: 0.000 (S_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: 237 Temperature: 0.900000 Total energy: -2699.991666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.991666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.991666 (E_RNA) where: Base-Base interactions energy: -1945.066 where: short stacking energy: -762.541 Base-Backbone interact. energy: -2.348 local terms energy: -752.577859 where: bonds (distance) C4'-P energy: -114.555 bonds (distance) P-C4' energy: -149.649 flat angles C4'-P-C4' energy: -161.067 flat angles P-C4'-P energy: -106.654 tors. eta vs tors. theta energy: -220.653 Dist. restrs. and SS energy: 0.000 (S_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: 237 Temperature: 0.950000 Total energy: -2677.999379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.999379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.999379 (E_RNA) where: Base-Base interactions energy: -1892.186 where: short stacking energy: -771.669 Base-Backbone interact. energy: -2.921 local terms energy: -782.893212 where: bonds (distance) C4'-P energy: -124.030 bonds (distance) P-C4' energy: -153.014 flat angles C4'-P-C4' energy: -164.069 flat angles P-C4'-P energy: -108.727 tors. eta vs tors. theta energy: -233.053 Dist. restrs. and SS energy: 0.000 (S_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: 237 Temperature: 1.000000 Total energy: -2659.964024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.964024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.964024 (E_RNA) where: Base-Base interactions energy: -1900.364 where: short stacking energy: -746.615 Base-Backbone interact. energy: -0.454 local terms energy: -759.146575 where: bonds (distance) C4'-P energy: -109.568 bonds (distance) P-C4' energy: -154.445 flat angles C4'-P-C4' energy: -156.794 flat angles P-C4'-P energy: -114.045 tors. eta vs tors. theta energy: -224.295 Dist. restrs. and SS energy: 0.000 (S_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: 237 Temperature: 1.050000 Total energy: -2576.130933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.130933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.130933 (E_RNA) where: Base-Base interactions energy: -1817.685 where: short stacking energy: -735.679 Base-Backbone interact. energy: -2.134 local terms energy: -756.311957 where: bonds (distance) C4'-P energy: -107.069 bonds (distance) P-C4' energy: -152.541 flat angles C4'-P-C4' energy: -157.109 flat angles P-C4'-P energy: -117.497 tors. eta vs tors. theta energy: -222.095 Dist. restrs. and SS energy: 0.000 (S_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: 237 Temperature: 1.100000 Total energy: -2472.697268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.697268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.697268 (E_RNA) where: Base-Base interactions energy: -1738.430 where: short stacking energy: -704.976 Base-Backbone interact. energy: -0.974 local terms energy: -733.293672 where: bonds (distance) C4'-P energy: -116.647 bonds (distance) P-C4' energy: -149.961 flat angles C4'-P-C4' energy: -148.625 flat angles P-C4'-P energy: -107.043 tors. eta vs tors. theta energy: -211.018 Dist. restrs. and SS energy: 0.000 (S_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: 237 Temperature: 1.150000 Total energy: -2453.603243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.603243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.603243 (E_RNA) where: Base-Base interactions energy: -1735.592 where: short stacking energy: -698.546 Base-Backbone interact. energy: -1.959 local terms energy: -716.051827 where: bonds (distance) C4'-P energy: -116.218 bonds (distance) P-C4' energy: -149.651 flat angles C4'-P-C4' energy: -143.865 flat angles P-C4'-P energy: -96.856 tors. eta vs tors. theta energy: -209.462 Dist. restrs. and SS energy: 0.000 (S_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: 237 Temperature: 1.200000 Total energy: -2369.040856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.040856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.040856 (E_RNA) where: Base-Base interactions energy: -1695.718 where: short stacking energy: -687.791 Base-Backbone interact. energy: -2.792 local terms energy: -670.530407 where: bonds (distance) C4'-P energy: -100.908 bonds (distance) P-C4' energy: -133.766 flat angles C4'-P-C4' energy: -135.275 flat angles P-C4'-P energy: -93.751 tors. eta vs tors. theta energy: -206.830 Dist. restrs. and SS energy: 0.000 (S_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: 237 Temperature: 1.250000 Total energy: -2419.252959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.252959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.252959 (E_RNA) where: Base-Base interactions energy: -1716.607 where: short stacking energy: -692.641 Base-Backbone interact. energy: -0.838 local terms energy: -701.807231 where: bonds (distance) C4'-P energy: -103.913 bonds (distance) P-C4' energy: -143.434 flat angles C4'-P-C4' energy: -146.850 flat angles P-C4'-P energy: -106.049 tors. eta vs tors. theta energy: -201.561 Dist. restrs. and SS energy: 0.000 (S_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: 237 Temperature: 1.300000 Total energy: -2243.714771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.714771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.714771 (E_RNA) where: Base-Base interactions energy: -1577.616 where: short stacking energy: -637.166 Base-Backbone interact. energy: 0.116 local terms energy: -666.214527 where: bonds (distance) C4'-P energy: -94.125 bonds (distance) P-C4' energy: -140.091 flat angles C4'-P-C4' energy: -142.755 flat angles P-C4'-P energy: -108.224 tors. eta vs tors. theta energy: -181.021 Dist. restrs. and SS energy: 0.000 (S_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: 237 Temperature: 1.350000 Total energy: -2006.005223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.005223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.005223 (E_RNA) where: Base-Base interactions energy: -1371.435 where: short stacking energy: -550.658 Base-Backbone interact. energy: -1.815 local terms energy: -632.755043 where: bonds (distance) C4'-P energy: -121.055 bonds (distance) P-C4' energy: -119.344 flat angles C4'-P-C4' energy: -136.372 flat angles P-C4'-P energy: -95.202 tors. eta vs tors. theta energy: -160.783 Dist. restrs. and SS energy: 0.000 (S_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: 238 Temperature: 0.900000 Total energy: -2697.918164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.918164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.918164 (E_RNA) where: Base-Base interactions energy: -1919.676 where: short stacking energy: -771.062 Base-Backbone interact. energy: 0.214 local terms energy: -778.456160 where: bonds (distance) C4'-P energy: -116.346 bonds (distance) P-C4' energy: -151.207 flat angles C4'-P-C4' energy: -159.799 flat angles P-C4'-P energy: -119.593 tors. eta vs tors. theta energy: -231.511 Dist. restrs. and SS energy: 0.000 (S_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: 238 Temperature: 0.950000 Total energy: -2664.032968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.032968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.032968 (E_RNA) where: Base-Base interactions energy: -1917.718 where: short stacking energy: -749.657 Base-Backbone interact. energy: -2.738 local terms energy: -743.577376 where: bonds (distance) C4'-P energy: -125.651 bonds (distance) P-C4' energy: -141.413 flat angles C4'-P-C4' energy: -150.941 flat angles P-C4'-P energy: -102.157 tors. eta vs tors. theta energy: -223.415 Dist. restrs. and SS energy: 0.000 (S_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: 238 Temperature: 1.000000 Total energy: -2651.148323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.148323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.148323 (E_RNA) where: Base-Base interactions energy: -1892.796 where: short stacking energy: -748.386 Base-Backbone interact. energy: -2.154 local terms energy: -756.197695 where: bonds (distance) C4'-P energy: -126.997 bonds (distance) P-C4' energy: -139.253 flat angles C4'-P-C4' energy: -160.575 flat angles P-C4'-P energy: -112.781 tors. eta vs tors. theta energy: -216.592 Dist. restrs. and SS energy: 0.000 (S_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: 238 Temperature: 1.050000 Total energy: -2561.311853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.311853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.311853 (E_RNA) where: Base-Base interactions energy: -1818.175 where: short stacking energy: -743.524 Base-Backbone interact. energy: -0.853 local terms energy: -742.283900 where: bonds (distance) C4'-P energy: -119.976 bonds (distance) P-C4' energy: -138.760 flat angles C4'-P-C4' energy: -159.396 flat angles P-C4'-P energy: -100.232 tors. eta vs tors. theta energy: -223.920 Dist. restrs. and SS energy: 0.000 (S_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: 238 Temperature: 1.100000 Total energy: -2497.855261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.855261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.855261 (E_RNA) where: Base-Base interactions energy: -1764.315 where: short stacking energy: -713.259 Base-Backbone interact. energy: -1.240 local terms energy: -732.300414 where: bonds (distance) C4'-P energy: -117.489 bonds (distance) P-C4' energy: -149.065 flat angles C4'-P-C4' energy: -151.789 flat angles P-C4'-P energy: -104.279 tors. eta vs tors. theta energy: -209.679 Dist. restrs. and SS energy: 0.000 (S_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: 238 Temperature: 1.150000 Total energy: -2436.836067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.836067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.836067 (E_RNA) where: Base-Base interactions energy: -1730.304 where: short stacking energy: -687.199 Base-Backbone interact. energy: -2.400 local terms energy: -704.132415 where: bonds (distance) C4'-P energy: -93.789 bonds (distance) P-C4' energy: -148.968 flat angles C4'-P-C4' energy: -149.593 flat angles P-C4'-P energy: -109.845 tors. eta vs tors. theta energy: -201.938 Dist. restrs. and SS energy: 0.000 (S_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: 238 Temperature: 1.200000 Total energy: -2408.871527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.871527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.871527 (E_RNA) where: Base-Base interactions energy: -1712.534 where: short stacking energy: -684.641 Base-Backbone interact. energy: -1.635 local terms energy: -694.702517 where: bonds (distance) C4'-P energy: -109.825 bonds (distance) P-C4' energy: -129.855 flat angles C4'-P-C4' energy: -149.934 flat angles P-C4'-P energy: -96.437 tors. eta vs tors. theta energy: -208.652 Dist. restrs. and SS energy: 0.000 (S_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: 238 Temperature: 1.250000 Total energy: -2303.196730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.196730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.196730 (E_RNA) where: Base-Base interactions energy: -1653.472 where: short stacking energy: -648.773 Base-Backbone interact. energy: -0.817 local terms energy: -648.907785 where: bonds (distance) C4'-P energy: -92.145 bonds (distance) P-C4' energy: -139.464 flat angles C4'-P-C4' energy: -147.029 flat angles P-C4'-P energy: -87.158 tors. eta vs tors. theta energy: -183.112 Dist. restrs. and SS energy: 0.000 (S_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: 238 Temperature: 1.300000 Total energy: -2269.827599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.827599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.827599 (E_RNA) where: Base-Base interactions energy: -1591.179 where: short stacking energy: -665.308 Base-Backbone interact. energy: -2.202 local terms energy: -676.446739 where: bonds (distance) C4'-P energy: -104.854 bonds (distance) P-C4' energy: -139.625 flat angles C4'-P-C4' energy: -152.148 flat angles P-C4'-P energy: -81.984 tors. eta vs tors. theta energy: -197.835 Dist. restrs. and SS energy: 0.000 (S_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: 238 Temperature: 1.350000 Total energy: -2040.384527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.384527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.384527 (E_RNA) where: Base-Base interactions energy: -1405.554 where: short stacking energy: -567.790 Base-Backbone interact. energy: -1.746 local terms energy: -633.085346 where: bonds (distance) C4'-P energy: -92.705 bonds (distance) P-C4' energy: -148.324 flat angles C4'-P-C4' energy: -143.160 flat angles P-C4'-P energy: -86.057 tors. eta vs tors. theta energy: -162.840 Dist. restrs. and SS energy: 0.000 (S_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: 239 Temperature: 0.900000 Total energy: -2721.135442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.135442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.135442 (E_RNA) where: Base-Base interactions energy: -1931.739 where: short stacking energy: -792.130 Base-Backbone interact. energy: -1.907 local terms energy: -787.489532 where: bonds (distance) C4'-P energy: -125.560 bonds (distance) P-C4' energy: -151.809 flat angles C4'-P-C4' energy: -161.376 flat angles P-C4'-P energy: -111.645 tors. eta vs tors. theta energy: -237.099 Dist. restrs. and SS energy: 0.000 (S_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: 239 Temperature: 0.950000 Total energy: -2678.639642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.639642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.639642 (E_RNA) where: Base-Base interactions energy: -1902.898 where: short stacking energy: -757.804 Base-Backbone interact. energy: -1.741 local terms energy: -774.000949 where: bonds (distance) C4'-P energy: -124.516 bonds (distance) P-C4' energy: -150.876 flat angles C4'-P-C4' energy: -168.036 flat angles P-C4'-P energy: -103.280 tors. eta vs tors. theta energy: -227.294 Dist. restrs. and SS energy: 0.000 (S_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: 239 Temperature: 1.000000 Total energy: -2654.755241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.755241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.755241 (E_RNA) where: Base-Base interactions energy: -1904.679 where: short stacking energy: -750.022 Base-Backbone interact. energy: -3.548 local terms energy: -746.528049 where: bonds (distance) C4'-P energy: -113.396 bonds (distance) P-C4' energy: -148.857 flat angles C4'-P-C4' energy: -161.170 flat angles P-C4'-P energy: -105.735 tors. eta vs tors. theta energy: -217.371 Dist. restrs. and SS energy: 0.000 (S_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: 239 Temperature: 1.050000 Total energy: -2586.964539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.964539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.964539 (E_RNA) where: Base-Base interactions energy: -1839.502 where: short stacking energy: -740.947 Base-Backbone interact. energy: -1.033 local terms energy: -746.429378 where: bonds (distance) C4'-P energy: -110.381 bonds (distance) P-C4' energy: -146.727 flat angles C4'-P-C4' energy: -158.793 flat angles P-C4'-P energy: -107.788 tors. eta vs tors. theta energy: -222.740 Dist. restrs. and SS energy: 0.000 (S_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: 239 Temperature: 1.100000 Total energy: -2495.624443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.624443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.624443 (E_RNA) where: Base-Base interactions energy: -1759.062 where: short stacking energy: -718.292 Base-Backbone interact. energy: -1.430 local terms energy: -735.132800 where: bonds (distance) C4'-P energy: -115.784 bonds (distance) P-C4' energy: -153.788 flat angles C4'-P-C4' energy: -147.875 flat angles P-C4'-P energy: -103.914 tors. eta vs tors. theta energy: -213.772 Dist. restrs. and SS energy: 0.000 (S_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: 239 Temperature: 1.150000 Total energy: -2485.875439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.875439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.875439 (E_RNA) where: Base-Base interactions energy: -1763.566 where: short stacking energy: -708.349 Base-Backbone interact. energy: 0.013 local terms energy: -722.322529 where: bonds (distance) C4'-P energy: -104.790 bonds (distance) P-C4' energy: -139.523 flat angles C4'-P-C4' energy: -157.619 flat angles P-C4'-P energy: -106.087 tors. eta vs tors. theta energy: -214.304 Dist. restrs. and SS energy: 0.000 (S_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: 239 Temperature: 1.200000 Total energy: -2373.772681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.772681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.772681 (E_RNA) where: Base-Base interactions energy: -1683.585 where: short stacking energy: -680.646 Base-Backbone interact. energy: -1.060 local terms energy: -689.127421 where: bonds (distance) C4'-P energy: -98.776 bonds (distance) P-C4' energy: -142.685 flat angles C4'-P-C4' energy: -144.650 flat angles P-C4'-P energy: -99.523 tors. eta vs tors. theta energy: -203.493 Dist. restrs. and SS energy: 0.000 (S_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: 239 Temperature: 1.250000 Total energy: -2309.431087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.431087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.431087 (E_RNA) where: Base-Base interactions energy: -1635.220 where: short stacking energy: -653.964 Base-Backbone interact. energy: -2.047 local terms energy: -672.164048 where: bonds (distance) C4'-P energy: -109.501 bonds (distance) P-C4' energy: -144.982 flat angles C4'-P-C4' energy: -124.797 flat angles P-C4'-P energy: -91.530 tors. eta vs tors. theta energy: -201.354 Dist. restrs. and SS energy: 0.000 (S_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: 239 Temperature: 1.300000 Total energy: -2228.080515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.080515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.080515 (E_RNA) where: Base-Base interactions energy: -1570.422 where: short stacking energy: -644.968 Base-Backbone interact. energy: -1.272 local terms energy: -656.386438 where: bonds (distance) C4'-P energy: -100.550 bonds (distance) P-C4' energy: -132.351 flat angles C4'-P-C4' energy: -148.137 flat angles P-C4'-P energy: -86.412 tors. eta vs tors. theta energy: -188.937 Dist. restrs. and SS energy: 0.000 (S_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: 239 Temperature: 1.350000 Total energy: -2018.370476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.370476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.370476 (E_RNA) where: Base-Base interactions energy: -1388.944 where: short stacking energy: -577.621 Base-Backbone interact. energy: -2.994 local terms energy: -626.432291 where: bonds (distance) C4'-P energy: -113.657 bonds (distance) P-C4' energy: -131.930 flat angles C4'-P-C4' energy: -147.464 flat angles P-C4'-P energy: -75.110 tors. eta vs tors. theta energy: -158.270 Dist. restrs. and SS energy: 0.000 (S_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: 240 Temperature: 0.900000 Total energy: -2722.781856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.781856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.781856 (E_RNA) where: Base-Base interactions energy: -1925.107 where: short stacking energy: -782.122 Base-Backbone interact. energy: -2.156 local terms energy: -795.518915 where: bonds (distance) C4'-P energy: -129.340 bonds (distance) P-C4' energy: -165.639 flat angles C4'-P-C4' energy: -161.407 flat angles P-C4'-P energy: -104.197 tors. eta vs tors. theta energy: -234.936 Dist. restrs. and SS energy: 0.000 (S_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: 240 Temperature: 0.950000 Total energy: -2680.816052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.816052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.816052 (E_RNA) where: Base-Base interactions energy: -1917.584 where: short stacking energy: -765.164 Base-Backbone interact. energy: -1.844 local terms energy: -761.388094 where: bonds (distance) C4'-P energy: -127.139 bonds (distance) P-C4' energy: -155.732 flat angles C4'-P-C4' energy: -153.170 flat angles P-C4'-P energy: -97.880 tors. eta vs tors. theta energy: -227.467 Dist. restrs. and SS energy: 0.000 (S_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: 240 Temperature: 1.000000 Total energy: -2649.374907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.374907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.374907 (E_RNA) where: Base-Base interactions energy: -1876.496 where: short stacking energy: -745.036 Base-Backbone interact. energy: 0.500 local terms energy: -773.378417 where: bonds (distance) C4'-P energy: -121.021 bonds (distance) P-C4' energy: -166.838 flat angles C4'-P-C4' energy: -158.842 flat angles P-C4'-P energy: -108.298 tors. eta vs tors. theta energy: -218.379 Dist. restrs. and SS energy: 0.000 (S_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: 240 Temperature: 1.050000 Total energy: -2584.656490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.656490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.656490 (E_RNA) where: Base-Base interactions energy: -1839.421 where: short stacking energy: -736.405 Base-Backbone interact. energy: -0.943 local terms energy: -744.293189 where: bonds (distance) C4'-P energy: -127.007 bonds (distance) P-C4' energy: -137.585 flat angles C4'-P-C4' energy: -150.689 flat angles P-C4'-P energy: -102.472 tors. eta vs tors. theta energy: -226.541 Dist. restrs. and SS energy: 0.000 (S_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: 240 Temperature: 1.100000 Total energy: -2478.185448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.185448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.185448 (E_RNA) where: Base-Base interactions energy: -1747.864 where: short stacking energy: -704.338 Base-Backbone interact. energy: -1.368 local terms energy: -728.953424 where: bonds (distance) C4'-P energy: -114.313 bonds (distance) P-C4' energy: -140.345 flat angles C4'-P-C4' energy: -154.074 flat angles P-C4'-P energy: -104.864 tors. eta vs tors. theta energy: -215.358 Dist. restrs. and SS energy: 0.000 (S_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: 240 Temperature: 1.150000 Total energy: -2461.467923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.467923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.467923 (E_RNA) where: Base-Base interactions energy: -1742.872 where: short stacking energy: -718.336 Base-Backbone interact. energy: -0.787 local terms energy: -717.809068 where: bonds (distance) C4'-P energy: -107.741 bonds (distance) P-C4' energy: -139.945 flat angles C4'-P-C4' energy: -154.437 flat angles P-C4'-P energy: -105.334 tors. eta vs tors. theta energy: -210.352 Dist. restrs. and SS energy: 0.000 (S_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: 240 Temperature: 1.200000 Total energy: -2376.432463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.432463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.432463 (E_RNA) where: Base-Base interactions energy: -1694.186 where: short stacking energy: -703.437 Base-Backbone interact. energy: -0.292 local terms energy: -681.954256 where: bonds (distance) C4'-P energy: -110.027 bonds (distance) P-C4' energy: -128.496 flat angles C4'-P-C4' energy: -142.370 flat angles P-C4'-P energy: -96.584 tors. eta vs tors. theta energy: -204.477 Dist. restrs. and SS energy: 0.000 (S_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: 240 Temperature: 1.250000 Total energy: -2352.505553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.505553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.505553 (E_RNA) where: Base-Base interactions energy: -1656.979 where: short stacking energy: -677.937 Base-Backbone interact. energy: 1.077 local terms energy: -696.603404 where: bonds (distance) C4'-P energy: -94.779 bonds (distance) P-C4' energy: -146.865 flat angles C4'-P-C4' energy: -152.038 flat angles P-C4'-P energy: -98.728 tors. eta vs tors. theta energy: -204.194 Dist. restrs. and SS energy: 0.000 (S_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: 240 Temperature: 1.300000 Total energy: -2230.183288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.183288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.183288 (E_RNA) where: Base-Base interactions energy: -1558.484 where: short stacking energy: -622.577 Base-Backbone interact. energy: -1.585 local terms energy: -670.113950 where: bonds (distance) C4'-P energy: -96.368 bonds (distance) P-C4' energy: -147.878 flat angles C4'-P-C4' energy: -143.837 flat angles P-C4'-P energy: -96.154 tors. eta vs tors. theta energy: -185.877 Dist. restrs. and SS energy: 0.000 (S_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: -2012.350460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.350460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.350460 (E_RNA) where: Base-Base interactions energy: -1373.511 where: short stacking energy: -584.256 Base-Backbone interact. energy: -1.765 local terms energy: -637.074655 where: bonds (distance) C4'-P energy: -127.554 bonds (distance) P-C4' energy: -136.081 flat angles C4'-P-C4' energy: -136.020 flat angles P-C4'-P energy: -78.784 tors. eta vs tors. theta energy: -158.634 Dist. restrs. and SS energy: 0.000 (S_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: 241 Temperature: 0.900000 Total energy: -2695.128726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.128726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.128726 (E_RNA) where: Base-Base interactions energy: -1911.899 where: short stacking energy: -762.470 Base-Backbone interact. energy: -2.749 local terms energy: -780.481093 where: bonds (distance) C4'-P energy: -124.603 bonds (distance) P-C4' energy: -150.446 flat angles C4'-P-C4' energy: -163.870 flat angles P-C4'-P energy: -111.005 tors. eta vs tors. theta energy: -230.557 Dist. restrs. and SS energy: 0.000 (S_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: -2657.603214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.603214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.603214 (E_RNA) where: Base-Base interactions energy: -1886.806 where: short stacking energy: -756.536 Base-Backbone interact. energy: -5.879 local terms energy: -764.918147 where: bonds (distance) C4'-P energy: -123.879 bonds (distance) P-C4' energy: -145.450 flat angles C4'-P-C4' energy: -160.012 flat angles P-C4'-P energy: -116.233 tors. eta vs tors. theta energy: -219.343 Dist. restrs. and SS energy: 0.000 (S_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: 241 Temperature: 1.000000 Total energy: -2646.549705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.549705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.549705 (E_RNA) where: Base-Base interactions energy: -1883.090 where: short stacking energy: -733.368 Base-Backbone interact. energy: 0.794 local terms energy: -764.253794 where: bonds (distance) C4'-P energy: -124.859 bonds (distance) P-C4' energy: -150.233 flat angles C4'-P-C4' energy: -160.824 flat angles P-C4'-P energy: -118.690 tors. eta vs tors. theta energy: -209.649 Dist. restrs. and SS energy: 0.000 (S_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: 241 Temperature: 1.050000 Total energy: -2584.559301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.559301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.559301 (E_RNA) where: Base-Base interactions energy: -1834.151 where: short stacking energy: -739.194 Base-Backbone interact. energy: -1.695 local terms energy: -748.713082 where: bonds (distance) C4'-P energy: -103.010 bonds (distance) P-C4' energy: -155.305 flat angles C4'-P-C4' energy: -168.383 flat angles P-C4'-P energy: -101.152 tors. eta vs tors. theta energy: -220.862 Dist. restrs. and SS energy: 0.000 (S_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: 241 Temperature: 1.100000 Total energy: -2494.656410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.656410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.656410 (E_RNA) where: Base-Base interactions energy: -1768.314 where: short stacking energy: -700.051 Base-Backbone interact. energy: -1.524 local terms energy: -724.818245 where: bonds (distance) C4'-P energy: -113.839 bonds (distance) P-C4' energy: -141.183 flat angles C4'-P-C4' energy: -150.878 flat angles P-C4'-P energy: -104.745 tors. eta vs tors. theta energy: -214.174 Dist. restrs. and SS energy: 0.000 (S_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: 241 Temperature: 1.150000 Total energy: -2500.108849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.108849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.108849 (E_RNA) where: Base-Base interactions energy: -1763.803 where: short stacking energy: -725.010 Base-Backbone interact. energy: -2.008 local terms energy: -734.298187 where: bonds (distance) C4'-P energy: -112.284 bonds (distance) P-C4' energy: -143.287 flat angles C4'-P-C4' energy: -162.157 flat angles P-C4'-P energy: -100.944 tors. eta vs tors. theta energy: -215.626 Dist. restrs. and SS energy: 0.000 (S_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: 241 Temperature: 1.200000 Total energy: -2419.589540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.589540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.589540 (E_RNA) where: Base-Base interactions energy: -1722.506 where: short stacking energy: -684.440 Base-Backbone interact. energy: -2.996 local terms energy: -694.086968 where: bonds (distance) C4'-P energy: -113.706 bonds (distance) P-C4' energy: -142.708 flat angles C4'-P-C4' energy: -143.647 flat angles P-C4'-P energy: -98.062 tors. eta vs tors. theta energy: -195.965 Dist. restrs. and SS energy: 0.000 (S_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: 241 Temperature: 1.250000 Total energy: -2322.519124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.519124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.519124 (E_RNA) where: Base-Base interactions energy: -1653.987 where: short stacking energy: -671.022 Base-Backbone interact. energy: -1.044 local terms energy: -667.487749 where: bonds (distance) C4'-P energy: -93.164 bonds (distance) P-C4' energy: -134.931 flat angles C4'-P-C4' energy: -150.922 flat angles P-C4'-P energy: -91.008 tors. eta vs tors. theta energy: -197.463 Dist. restrs. and SS energy: 0.000 (S_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: 241 Temperature: 1.300000 Total energy: -2241.681536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.681536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.681536 (E_RNA) where: Base-Base interactions energy: -1582.749 where: short stacking energy: -644.029 Base-Backbone interact. energy: -1.588 local terms energy: -657.345079 where: bonds (distance) C4'-P energy: -108.238 bonds (distance) P-C4' energy: -125.394 flat angles C4'-P-C4' energy: -137.175 flat angles P-C4'-P energy: -95.916 tors. eta vs tors. theta energy: -190.622 Dist. restrs. and SS energy: 0.000 (S_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: -2037.620814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.620814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.620814 (E_RNA) where: Base-Base interactions energy: -1394.876 where: short stacking energy: -585.757 Base-Backbone interact. energy: -0.871 local terms energy: -641.873293 where: bonds (distance) C4'-P energy: -109.793 bonds (distance) P-C4' energy: -149.737 flat angles C4'-P-C4' energy: -133.905 flat angles P-C4'-P energy: -82.638 tors. eta vs tors. theta energy: -165.801 Dist. restrs. and SS energy: 0.000 (S_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: 242 Temperature: 0.900000 Total energy: -2709.374839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.374839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.374839 (E_RNA) where: Base-Base interactions energy: -1933.242 where: short stacking energy: -767.256 Base-Backbone interact. energy: -0.901 local terms energy: -775.231319 where: bonds (distance) C4'-P energy: -112.363 bonds (distance) P-C4' energy: -160.170 flat angles C4'-P-C4' energy: -161.562 flat angles P-C4'-P energy: -111.088 tors. eta vs tors. theta energy: -230.048 Dist. restrs. and SS energy: 0.000 (S_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: 242 Temperature: 0.950000 Total energy: -2663.141648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.141648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.141648 (E_RNA) where: Base-Base interactions energy: -1898.652 where: short stacking energy: -761.702 Base-Backbone interact. energy: -2.484 local terms energy: -762.005304 where: bonds (distance) C4'-P energy: -117.975 bonds (distance) P-C4' energy: -143.812 flat angles C4'-P-C4' energy: -164.533 flat angles P-C4'-P energy: -107.777 tors. eta vs tors. theta energy: -227.908 Dist. restrs. and SS energy: 0.000 (S_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: 242 Temperature: 1.000000 Total energy: -2637.697035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.697035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.697035 (E_RNA) where: Base-Base interactions energy: -1903.631 where: short stacking energy: -728.380 Base-Backbone interact. energy: -2.100 local terms energy: -731.966444 where: bonds (distance) C4'-P energy: -110.382 bonds (distance) P-C4' energy: -142.412 flat angles C4'-P-C4' energy: -158.612 flat angles P-C4'-P energy: -107.938 tors. eta vs tors. theta energy: -212.623 Dist. restrs. and SS energy: 0.000 (S_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: 242 Temperature: 1.050000 Total energy: -2543.146857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.146857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.146857 (E_RNA) where: Base-Base interactions energy: -1819.121 where: short stacking energy: -727.532 Base-Backbone interact. energy: -1.326 local terms energy: -722.700095 where: bonds (distance) C4'-P energy: -114.544 bonds (distance) P-C4' energy: -154.413 flat angles C4'-P-C4' energy: -143.506 flat angles P-C4'-P energy: -93.896 tors. eta vs tors. theta energy: -216.341 Dist. restrs. and SS energy: 0.000 (S_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: 242 Temperature: 1.100000 Total energy: -2527.717690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.717690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.717690 (E_RNA) where: Base-Base interactions energy: -1793.373 where: short stacking energy: -720.530 Base-Backbone interact. energy: -2.580 local terms energy: -731.764921 where: bonds (distance) C4'-P energy: -125.998 bonds (distance) P-C4' energy: -125.827 flat angles C4'-P-C4' energy: -153.658 flat angles P-C4'-P energy: -115.065 tors. eta vs tors. theta energy: -211.217 Dist. restrs. and SS energy: 0.000 (S_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: 242 Temperature: 1.150000 Total energy: -2463.520617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.520617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.520617 (E_RNA) where: Base-Base interactions energy: -1732.502 where: short stacking energy: -693.352 Base-Backbone interact. energy: -2.065 local terms energy: -728.953462 where: bonds (distance) C4'-P energy: -114.707 bonds (distance) P-C4' energy: -142.730 flat angles C4'-P-C4' energy: -155.699 flat angles P-C4'-P energy: -104.773 tors. eta vs tors. theta energy: -211.044 Dist. restrs. and SS energy: 0.000 (S_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: 242 Temperature: 1.200000 Total energy: -2415.022341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.022341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.022341 (E_RNA) where: Base-Base interactions energy: -1689.094 where: short stacking energy: -666.340 Base-Backbone interact. energy: -1.612 local terms energy: -724.316834 where: bonds (distance) C4'-P energy: -121.367 bonds (distance) P-C4' energy: -152.341 flat angles C4'-P-C4' energy: -149.269 flat angles P-C4'-P energy: -97.729 tors. eta vs tors. theta energy: -203.611 Dist. restrs. and SS energy: 0.000 (S_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: -2298.817881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.817881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.817881 (E_RNA) where: Base-Base interactions energy: -1603.366 where: short stacking energy: -663.821 Base-Backbone interact. energy: -2.410 local terms energy: -693.042415 where: bonds (distance) C4'-P energy: -117.731 bonds (distance) P-C4' energy: -136.827 flat angles C4'-P-C4' energy: -150.083 flat angles P-C4'-P energy: -96.084 tors. eta vs tors. theta energy: -192.317 Dist. restrs. and SS energy: 0.000 (S_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: 242 Temperature: 1.300000 Total energy: -2226.506758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.506758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.506758 (E_RNA) where: Base-Base interactions energy: -1569.683 where: short stacking energy: -653.132 Base-Backbone interact. energy: 7.132 local terms energy: -663.955558 where: bonds (distance) C4'-P energy: -93.103 bonds (distance) P-C4' energy: -133.595 flat angles C4'-P-C4' energy: -143.319 flat angles P-C4'-P energy: -101.729 tors. eta vs tors. theta energy: -192.211 Dist. restrs. and SS energy: 0.000 (S_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: 242 Temperature: 1.350000 Total energy: -2006.254770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.254770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.254770 (E_RNA) where: Base-Base interactions energy: -1372.566 where: short stacking energy: -571.120 Base-Backbone interact. energy: -2.228 local terms energy: -631.460996 where: bonds (distance) C4'-P energy: -120.704 bonds (distance) P-C4' energy: -134.709 flat angles C4'-P-C4' energy: -138.387 flat angles P-C4'-P energy: -86.575 tors. eta vs tors. theta energy: -151.085 Dist. restrs. and SS energy: 0.000 (S_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: 243 Temperature: 0.900000 Total energy: -2715.094470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.094470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.094470 (E_RNA) where: Base-Base interactions energy: -1923.601 where: short stacking energy: -778.784 Base-Backbone interact. energy: -1.959 local terms energy: -789.533721 where: bonds (distance) C4'-P energy: -131.573 bonds (distance) P-C4' energy: -148.256 flat angles C4'-P-C4' energy: -161.967 flat angles P-C4'-P energy: -115.478 tors. eta vs tors. theta energy: -232.259 Dist. restrs. and SS energy: 0.000 (S_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: 243 Temperature: 0.950000 Total energy: -2656.750562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.750562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.750562 (E_RNA) where: Base-Base interactions energy: -1905.860 where: short stacking energy: -743.793 Base-Backbone interact. energy: -2.328 local terms energy: -748.562649 where: bonds (distance) C4'-P energy: -110.691 bonds (distance) P-C4' energy: -153.157 flat angles C4'-P-C4' energy: -163.047 flat angles P-C4'-P energy: -104.175 tors. eta vs tors. theta energy: -217.492 Dist. restrs. and SS energy: 0.000 (S_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: 243 Temperature: 1.000000 Total energy: -2641.245601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.245601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.245601 (E_RNA) where: Base-Base interactions energy: -1908.199 where: short stacking energy: -739.296 Base-Backbone interact. energy: -2.906 local terms energy: -730.139862 where: bonds (distance) C4'-P energy: -112.698 bonds (distance) P-C4' energy: -158.743 flat angles C4'-P-C4' energy: -146.737 flat angles P-C4'-P energy: -101.442 tors. eta vs tors. theta energy: -210.520 Dist. restrs. and SS energy: 0.000 (S_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: 243 Temperature: 1.050000 Total energy: -2567.056093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.056093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.056093 (E_RNA) where: Base-Base interactions energy: -1830.173 where: short stacking energy: -734.152 Base-Backbone interact. energy: -2.335 local terms energy: -734.547928 where: bonds (distance) C4'-P energy: -119.421 bonds (distance) P-C4' energy: -146.995 flat angles C4'-P-C4' energy: -154.244 flat angles P-C4'-P energy: -98.986 tors. eta vs tors. theta energy: -214.902 Dist. restrs. and SS energy: 0.000 (S_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: 243 Temperature: 1.100000 Total energy: -2512.471928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.471928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.471928 (E_RNA) where: Base-Base interactions energy: -1788.395 where: short stacking energy: -714.076 Base-Backbone interact. energy: -2.753 local terms energy: -721.323859 where: bonds (distance) C4'-P energy: -112.832 bonds (distance) P-C4' energy: -139.708 flat angles C4'-P-C4' energy: -152.903 flat angles P-C4'-P energy: -109.795 tors. eta vs tors. theta energy: -206.086 Dist. restrs. and SS energy: 0.000 (S_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: 243 Temperature: 1.150000 Total energy: -2482.879469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.879469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.879469 (E_RNA) where: Base-Base interactions energy: -1764.528 where: short stacking energy: -721.455 Base-Backbone interact. energy: -1.538 local terms energy: -716.813049 where: bonds (distance) C4'-P energy: -114.057 bonds (distance) P-C4' energy: -145.049 flat angles C4'-P-C4' energy: -147.934 flat angles P-C4'-P energy: -102.878 tors. eta vs tors. theta energy: -206.895 Dist. restrs. and SS energy: 0.000 (S_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: 243 Temperature: 1.200000 Total energy: -2393.736717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.736717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.736717 (E_RNA) where: Base-Base interactions energy: -1688.822 where: short stacking energy: -691.338 Base-Backbone interact. energy: -2.463 local terms energy: -702.451537 where: bonds (distance) C4'-P energy: -117.353 bonds (distance) P-C4' energy: -123.497 flat angles C4'-P-C4' energy: -148.148 flat angles P-C4'-P energy: -102.468 tors. eta vs tors. theta energy: -210.986 Dist. restrs. and SS energy: 0.000 (S_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: 243 Temperature: 1.250000 Total energy: -2322.120067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.120067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.120067 (E_RNA) where: Base-Base interactions energy: -1635.332 where: short stacking energy: -660.326 Base-Backbone interact. energy: -1.904 local terms energy: -684.883489 where: bonds (distance) C4'-P energy: -113.041 bonds (distance) P-C4' energy: -134.059 flat angles C4'-P-C4' energy: -146.055 flat angles P-C4'-P energy: -98.891 tors. eta vs tors. theta energy: -192.836 Dist. restrs. and SS energy: 0.000 (S_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: 243 Temperature: 1.300000 Total energy: -2193.133665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.133665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.133665 (E_RNA) where: Base-Base interactions energy: -1526.231 where: short stacking energy: -629.334 Base-Backbone interact. energy: -0.704 local terms energy: -666.198537 where: bonds (distance) C4'-P energy: -115.708 bonds (distance) P-C4' energy: -132.335 flat angles C4'-P-C4' energy: -136.072 flat angles P-C4'-P energy: -102.882 tors. eta vs tors. theta energy: -179.202 Dist. restrs. and SS energy: 0.000 (S_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: 243 Temperature: 1.350000 Total energy: -2016.334609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.334609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.334609 (E_RNA) where: Base-Base interactions energy: -1397.442 where: short stacking energy: -570.190 Base-Backbone interact. energy: 3.102 local terms energy: -621.994524 where: bonds (distance) C4'-P energy: -99.102 bonds (distance) P-C4' energy: -139.577 flat angles C4'-P-C4' energy: -146.494 flat angles P-C4'-P energy: -87.137 tors. eta vs tors. theta energy: -149.685 Dist. restrs. and SS energy: 0.000 (S_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: 244 Temperature: 0.900000 Total energy: -2695.818256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.818256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.818256 (E_RNA) where: Base-Base interactions energy: -1922.645 where: short stacking energy: -777.874 Base-Backbone interact. energy: -3.371 local terms energy: -769.802160 where: bonds (distance) C4'-P energy: -117.883 bonds (distance) P-C4' energy: -150.274 flat angles C4'-P-C4' energy: -159.347 flat angles P-C4'-P energy: -107.964 tors. eta vs tors. theta energy: -234.335 Dist. restrs. and SS energy: 0.000 (S_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: -2663.952064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.952064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.952064 (E_RNA) where: Base-Base interactions energy: -1882.176 where: short stacking energy: -744.385 Base-Backbone interact. energy: -1.046 local terms energy: -780.730259 where: bonds (distance) C4'-P energy: -125.108 bonds (distance) P-C4' energy: -156.229 flat angles C4'-P-C4' energy: -160.676 flat angles P-C4'-P energy: -115.041 tors. eta vs tors. theta energy: -223.676 Dist. restrs. and SS energy: 0.000 (S_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: 244 Temperature: 1.000000 Total energy: -2632.700876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.700876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.700876 (E_RNA) where: Base-Base interactions energy: -1891.843 where: short stacking energy: -741.244 Base-Backbone interact. energy: -0.133 local terms energy: -740.725506 where: bonds (distance) C4'-P energy: -113.772 bonds (distance) P-C4' energy: -143.130 flat angles C4'-P-C4' energy: -153.445 flat angles P-C4'-P energy: -112.504 tors. eta vs tors. theta energy: -217.875 Dist. restrs. and SS energy: 0.000 (S_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: 244 Temperature: 1.050000 Total energy: -2566.068828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.068828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.068828 (E_RNA) where: Base-Base interactions energy: -1832.162 where: short stacking energy: -730.232 Base-Backbone interact. energy: 0.466 local terms energy: -734.373362 where: bonds (distance) C4'-P energy: -122.479 bonds (distance) P-C4' energy: -140.283 flat angles C4'-P-C4' energy: -149.879 flat angles P-C4'-P energy: -105.650 tors. eta vs tors. theta energy: -216.082 Dist. restrs. and SS energy: 0.000 (S_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: 244 Temperature: 1.100000 Total energy: -2499.300083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.300083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.300083 (E_RNA) where: Base-Base interactions energy: -1786.100 where: short stacking energy: -722.071 Base-Backbone interact. energy: -1.257 local terms energy: -711.943405 where: bonds (distance) C4'-P energy: -100.470 bonds (distance) P-C4' energy: -143.272 flat angles C4'-P-C4' energy: -148.630 flat angles P-C4'-P energy: -108.208 tors. eta vs tors. theta energy: -211.364 Dist. restrs. and SS energy: 0.000 (S_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: -2459.253483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.253483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.253483 (E_RNA) where: Base-Base interactions energy: -1755.311 where: short stacking energy: -692.958 Base-Backbone interact. energy: -2.406 local terms energy: -701.536927 where: bonds (distance) C4'-P energy: -103.526 bonds (distance) P-C4' energy: -135.242 flat angles C4'-P-C4' energy: -148.419 flat angles P-C4'-P energy: -101.532 tors. eta vs tors. theta energy: -212.819 Dist. restrs. and SS energy: 0.000 (S_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: 244 Temperature: 1.200000 Total energy: -2382.954191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.954191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.954191 (E_RNA) where: Base-Base interactions energy: -1681.341 where: short stacking energy: -668.906 Base-Backbone interact. energy: 0.721 local terms energy: -702.333945 where: bonds (distance) C4'-P energy: -111.194 bonds (distance) P-C4' energy: -145.172 flat angles C4'-P-C4' energy: -146.445 flat angles P-C4'-P energy: -97.711 tors. eta vs tors. theta energy: -201.812 Dist. restrs. and SS energy: 0.000 (S_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: 244 Temperature: 1.250000 Total energy: -2362.253052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.253052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.253052 (E_RNA) where: Base-Base interactions energy: -1650.148 where: short stacking energy: -683.907 Base-Backbone interact. energy: -1.823 local terms energy: -710.281208 where: bonds (distance) C4'-P energy: -124.326 bonds (distance) P-C4' energy: -136.971 flat angles C4'-P-C4' energy: -142.502 flat angles P-C4'-P energy: -102.927 tors. eta vs tors. theta energy: -203.555 Dist. restrs. and SS energy: 0.000 (S_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: 244 Temperature: 1.300000 Total energy: -2151.835424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.835424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.835424 (E_RNA) where: Base-Base interactions energy: -1519.642 where: short stacking energy: -631.711 Base-Backbone interact. energy: -1.474 local terms energy: -630.719029 where: bonds (distance) C4'-P energy: -99.380 bonds (distance) P-C4' energy: -132.331 flat angles C4'-P-C4' energy: -140.724 flat angles P-C4'-P energy: -85.455 tors. eta vs tors. theta energy: -172.830 Dist. restrs. and SS energy: 0.000 (S_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: 244 Temperature: 1.350000 Total energy: -2037.099393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.099393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.099393 (E_RNA) where: Base-Base interactions energy: -1394.503 where: short stacking energy: -579.446 Base-Backbone interact. energy: -1.874 local terms energy: -640.723078 where: bonds (distance) C4'-P energy: -106.116 bonds (distance) P-C4' energy: -146.831 flat angles C4'-P-C4' energy: -132.754 flat angles P-C4'-P energy: -92.060 tors. eta vs tors. theta energy: -162.962 Dist. restrs. and SS energy: 0.000 (S_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: 245 Temperature: 0.900000 Total energy: -2710.002717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.002717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.002717 (E_RNA) where: Base-Base interactions energy: -1924.838 where: short stacking energy: -765.009 Base-Backbone interact. energy: -1.925 local terms energy: -783.240044 where: bonds (distance) C4'-P energy: -123.600 bonds (distance) P-C4' energy: -152.590 flat angles C4'-P-C4' energy: -164.821 flat angles P-C4'-P energy: -110.201 tors. eta vs tors. theta energy: -232.027 Dist. restrs. and SS energy: 0.000 (S_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: 245 Temperature: 0.950000 Total energy: -2680.327639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.327639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.327639 (E_RNA) where: Base-Base interactions energy: -1911.062 where: short stacking energy: -757.446 Base-Backbone interact. energy: -1.836 local terms energy: -767.429784 where: bonds (distance) C4'-P energy: -122.229 bonds (distance) P-C4' energy: -154.704 flat angles C4'-P-C4' energy: -157.206 flat angles P-C4'-P energy: -105.702 tors. eta vs tors. theta energy: -227.589 Dist. restrs. and SS energy: 0.000 (S_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: 245 Temperature: 1.000000 Total energy: -2652.421529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.421529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.421529 (E_RNA) where: Base-Base interactions energy: -1922.337 where: short stacking energy: -741.056 Base-Backbone interact. energy: 1.092 local terms energy: -731.176749 where: bonds (distance) C4'-P energy: -114.612 bonds (distance) P-C4' energy: -147.854 flat angles C4'-P-C4' energy: -151.835 flat angles P-C4'-P energy: -101.305 tors. eta vs tors. theta energy: -215.571 Dist. restrs. and SS energy: 0.000 (S_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: 245 Temperature: 1.050000 Total energy: -2582.039724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.039724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.039724 (E_RNA) where: Base-Base interactions energy: -1833.866 where: short stacking energy: -763.796 Base-Backbone interact. energy: -2.454 local terms energy: -745.720191 where: bonds (distance) C4'-P energy: -107.201 bonds (distance) P-C4' energy: -146.152 flat angles C4'-P-C4' energy: -153.247 flat angles P-C4'-P energy: -112.940 tors. eta vs tors. theta energy: -226.180 Dist. restrs. and SS energy: 0.000 (S_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: -2520.624457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.624457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.624457 (E_RNA) where: Base-Base interactions energy: -1789.617 where: short stacking energy: -722.514 Base-Backbone interact. energy: -1.472 local terms energy: -729.535213 where: bonds (distance) C4'-P energy: -109.023 bonds (distance) P-C4' energy: -140.747 flat angles C4'-P-C4' energy: -156.824 flat angles P-C4'-P energy: -109.140 tors. eta vs tors. theta energy: -213.800 Dist. restrs. and SS energy: 0.000 (S_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: 245 Temperature: 1.150000 Total energy: -2419.591653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.591653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.591653 (E_RNA) where: Base-Base interactions energy: -1691.837 where: short stacking energy: -689.788 Base-Backbone interact. energy: -2.050 local terms energy: -725.704779 where: bonds (distance) C4'-P energy: -118.100 bonds (distance) P-C4' energy: -143.704 flat angles C4'-P-C4' energy: -142.754 flat angles P-C4'-P energy: -111.130 tors. eta vs tors. theta energy: -210.017 Dist. restrs. and SS energy: 0.000 (S_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: -2421.064408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.064408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.064408 (E_RNA) where: Base-Base interactions energy: -1714.553 where: short stacking energy: -711.052 Base-Backbone interact. energy: -0.111 local terms energy: -706.399995 where: bonds (distance) C4'-P energy: -110.728 bonds (distance) P-C4' energy: -144.404 flat angles C4'-P-C4' energy: -140.295 flat angles P-C4'-P energy: -93.139 tors. eta vs tors. theta energy: -217.835 Dist. restrs. and SS energy: 0.000 (S_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: 245 Temperature: 1.250000 Total energy: -2332.735177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.735177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.735177 (E_RNA) where: Base-Base interactions energy: -1647.343 where: short stacking energy: -668.628 Base-Backbone interact. energy: -1.389 local terms energy: -684.003121 where: bonds (distance) C4'-P energy: -97.287 bonds (distance) P-C4' energy: -141.626 flat angles C4'-P-C4' energy: -147.374 flat angles P-C4'-P energy: -99.307 tors. eta vs tors. theta energy: -198.409 Dist. restrs. and SS energy: 0.000 (S_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: -2196.740124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.740124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.740124 (E_RNA) where: Base-Base interactions energy: -1544.553 where: short stacking energy: -622.324 Base-Backbone interact. energy: -0.736 local terms energy: -651.451052 where: bonds (distance) C4'-P energy: -99.737 bonds (distance) P-C4' energy: -138.803 flat angles C4'-P-C4' energy: -139.390 flat angles P-C4'-P energy: -94.855 tors. eta vs tors. theta energy: -178.666 Dist. restrs. and SS energy: 0.000 (S_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: 245 Temperature: 1.350000 Total energy: -2031.542208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.542208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.542208 (E_RNA) where: Base-Base interactions energy: -1399.038 where: short stacking energy: -566.294 Base-Backbone interact. energy: -0.365 local terms energy: -632.139417 where: bonds (distance) C4'-P energy: -111.076 bonds (distance) P-C4' energy: -138.501 flat angles C4'-P-C4' energy: -138.407 flat angles P-C4'-P energy: -94.263 tors. eta vs tors. theta energy: -149.893 Dist. restrs. and SS energy: 0.000 (S_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: -2722.568357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.568357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.568357 (E_RNA) where: Base-Base interactions energy: -1933.679 where: short stacking energy: -762.250 Base-Backbone interact. energy: -1.296 local terms energy: -787.593143 where: bonds (distance) C4'-P energy: -129.873 bonds (distance) P-C4' energy: -154.102 flat angles C4'-P-C4' energy: -163.392 flat angles P-C4'-P energy: -109.740 tors. eta vs tors. theta energy: -230.486 Dist. restrs. and SS energy: 0.000 (S_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: 246 Temperature: 0.950000 Total energy: -2699.280382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.280382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.280382 (E_RNA) where: Base-Base interactions energy: -1947.229 where: short stacking energy: -779.514 Base-Backbone interact. energy: 0.731 local terms energy: -752.782753 where: bonds (distance) C4'-P energy: -117.950 bonds (distance) P-C4' energy: -150.313 flat angles C4'-P-C4' energy: -150.627 flat angles P-C4'-P energy: -109.424 tors. eta vs tors. theta energy: -224.469 Dist. restrs. and SS energy: 0.000 (S_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: -2648.318272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.318272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.318272 (E_RNA) where: Base-Base interactions energy: -1901.325 where: short stacking energy: -762.077 Base-Backbone interact. energy: -1.584 local terms energy: -745.408838 where: bonds (distance) C4'-P energy: -113.991 bonds (distance) P-C4' energy: -155.600 flat angles C4'-P-C4' energy: -151.897 flat angles P-C4'-P energy: -102.668 tors. eta vs tors. theta energy: -221.253 Dist. restrs. and SS energy: 0.000 (S_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: 246 Temperature: 1.050000 Total energy: -2575.909001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.909001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.909001 (E_RNA) where: Base-Base interactions energy: -1826.103 where: short stacking energy: -752.544 Base-Backbone interact. energy: -2.114 local terms energy: -747.692151 where: bonds (distance) C4'-P energy: -114.638 bonds (distance) P-C4' energy: -155.417 flat angles C4'-P-C4' energy: -158.787 flat angles P-C4'-P energy: -102.961 tors. eta vs tors. theta energy: -215.889 Dist. restrs. and SS energy: 0.000 (S_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: 246 Temperature: 1.100000 Total energy: -2522.032700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.032700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.032700 (E_RNA) where: Base-Base interactions energy: -1785.239 where: short stacking energy: -704.850 Base-Backbone interact. energy: -1.468 local terms energy: -735.325542 where: bonds (distance) C4'-P energy: -105.221 bonds (distance) P-C4' energy: -152.070 flat angles C4'-P-C4' energy: -149.846 flat angles P-C4'-P energy: -110.801 tors. eta vs tors. theta energy: -217.388 Dist. restrs. and SS energy: 0.000 (S_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: 246 Temperature: 1.150000 Total energy: -2434.961550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.961550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.961550 (E_RNA) where: Base-Base interactions energy: -1723.644 where: short stacking energy: -712.390 Base-Backbone interact. energy: 0.160 local terms energy: -711.477018 where: bonds (distance) C4'-P energy: -119.394 bonds (distance) P-C4' energy: -148.458 flat angles C4'-P-C4' energy: -142.782 flat angles P-C4'-P energy: -91.055 tors. eta vs tors. theta energy: -209.789 Dist. restrs. and SS energy: 0.000 (S_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: 246 Temperature: 1.200000 Total energy: -2417.635426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.635426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.635426 (E_RNA) where: Base-Base interactions energy: -1711.858 where: short stacking energy: -683.891 Base-Backbone interact. energy: 2.977 local terms energy: -708.753983 where: bonds (distance) C4'-P energy: -114.547 bonds (distance) P-C4' energy: -143.375 flat angles C4'-P-C4' energy: -146.127 flat angles P-C4'-P energy: -101.323 tors. eta vs tors. theta energy: -203.382 Dist. restrs. and SS energy: 0.000 (S_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: 246 Temperature: 1.250000 Total energy: -2372.366720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.366720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.366720 (E_RNA) where: Base-Base interactions energy: -1666.648 where: short stacking energy: -684.592 Base-Backbone interact. energy: -1.932 local terms energy: -703.786293 where: bonds (distance) C4'-P energy: -110.970 bonds (distance) P-C4' energy: -144.755 flat angles C4'-P-C4' energy: -146.113 flat angles P-C4'-P energy: -102.211 tors. eta vs tors. theta energy: -199.737 Dist. restrs. and SS energy: 0.000 (S_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: 246 Temperature: 1.300000 Total energy: -2172.233790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.233790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.233790 (E_RNA) where: Base-Base interactions energy: -1504.550 where: short stacking energy: -611.922 Base-Backbone interact. energy: -1.329 local terms energy: -666.354374 where: bonds (distance) C4'-P energy: -104.857 bonds (distance) P-C4' energy: -136.482 flat angles C4'-P-C4' energy: -141.898 flat angles P-C4'-P energy: -96.856 tors. eta vs tors. theta energy: -186.261 Dist. restrs. and SS energy: 0.000 (S_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: 246 Temperature: 1.350000 Total energy: -2027.392236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.392236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.392236 (E_RNA) where: Base-Base interactions energy: -1390.228 where: short stacking energy: -583.885 Base-Backbone interact. energy: -1.367 local terms energy: -635.796892 where: bonds (distance) C4'-P energy: -102.868 bonds (distance) P-C4' energy: -137.162 flat angles C4'-P-C4' energy: -142.746 flat angles P-C4'-P energy: -95.308 tors. eta vs tors. theta energy: -157.713 Dist. restrs. and SS energy: 0.000 (S_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: -2711.445181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.445181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.445181 (E_RNA) where: Base-Base interactions energy: -1927.281 where: short stacking energy: -772.829 Base-Backbone interact. energy: 0.604 local terms energy: -784.768261 where: bonds (distance) C4'-P energy: -127.143 bonds (distance) P-C4' energy: -158.201 flat angles C4'-P-C4' energy: -159.273 flat angles P-C4'-P energy: -108.970 tors. eta vs tors. theta energy: -231.182 Dist. restrs. and SS energy: 0.000 (S_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: -2665.603931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.603931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.603931 (E_RNA) where: Base-Base interactions energy: -1909.662 where: short stacking energy: -754.721 Base-Backbone interact. energy: -1.963 local terms energy: -753.979304 where: bonds (distance) C4'-P energy: -115.684 bonds (distance) P-C4' energy: -162.532 flat angles C4'-P-C4' energy: -157.321 flat angles P-C4'-P energy: -101.069 tors. eta vs tors. theta energy: -217.373 Dist. restrs. and SS energy: 0.000 (S_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: 247 Temperature: 1.000000 Total energy: -2626.597160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.597160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.597160 (E_RNA) where: Base-Base interactions energy: -1893.407 where: short stacking energy: -737.066 Base-Backbone interact. energy: -0.697 local terms energy: -732.493371 where: bonds (distance) C4'-P energy: -106.312 bonds (distance) P-C4' energy: -144.060 flat angles C4'-P-C4' energy: -150.888 flat angles P-C4'-P energy: -109.603 tors. eta vs tors. theta energy: -221.630 Dist. restrs. and SS energy: 0.000 (S_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: 247 Temperature: 1.050000 Total energy: -2511.397022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.397022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.397022 (E_RNA) where: Base-Base interactions energy: -1762.322 where: short stacking energy: -701.401 Base-Backbone interact. energy: -1.971 local terms energy: -747.103095 where: bonds (distance) C4'-P energy: -119.503 bonds (distance) P-C4' energy: -148.085 flat angles C4'-P-C4' energy: -164.027 flat angles P-C4'-P energy: -98.628 tors. eta vs tors. theta energy: -216.860 Dist. restrs. and SS energy: 0.000 (S_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: 247 Temperature: 1.100000 Total energy: -2540.505740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.505740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.505740 (E_RNA) where: Base-Base interactions energy: -1812.737 where: short stacking energy: -728.201 Base-Backbone interact. energy: -0.527 local terms energy: -727.241689 where: bonds (distance) C4'-P energy: -120.466 bonds (distance) P-C4' energy: -128.601 flat angles C4'-P-C4' energy: -154.732 flat angles P-C4'-P energy: -104.206 tors. eta vs tors. theta energy: -219.237 Dist. restrs. and SS energy: 0.000 (S_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: 247 Temperature: 1.150000 Total energy: -2436.429603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.429603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.429603 (E_RNA) where: Base-Base interactions energy: -1722.369 where: short stacking energy: -707.178 Base-Backbone interact. energy: -2.396 local terms energy: -711.665088 where: bonds (distance) C4'-P energy: -102.925 bonds (distance) P-C4' energy: -137.212 flat angles C4'-P-C4' energy: -148.618 flat angles P-C4'-P energy: -110.348 tors. eta vs tors. theta energy: -212.561 Dist. restrs. and SS energy: 0.000 (S_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: 247 Temperature: 1.200000 Total energy: -2357.699638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.699638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.699638 (E_RNA) where: Base-Base interactions energy: -1657.258 where: short stacking energy: -665.939 Base-Backbone interact. energy: -0.824 local terms energy: -699.617926 where: bonds (distance) C4'-P energy: -103.841 bonds (distance) P-C4' energy: -146.965 flat angles C4'-P-C4' energy: -143.752 flat angles P-C4'-P energy: -101.089 tors. eta vs tors. theta energy: -203.970 Dist. restrs. and SS energy: 0.000 (S_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: -2354.877399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.877399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.877399 (E_RNA) where: Base-Base interactions energy: -1647.715 where: short stacking energy: -677.357 Base-Backbone interact. energy: -0.810 local terms energy: -706.352108 where: bonds (distance) C4'-P energy: -107.785 bonds (distance) P-C4' energy: -151.652 flat angles C4'-P-C4' energy: -143.721 flat angles P-C4'-P energy: -103.548 tors. eta vs tors. theta energy: -199.647 Dist. restrs. and SS energy: 0.000 (S_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: 247 Temperature: 1.300000 Total energy: -2155.579767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.579767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.579767 (E_RNA) where: Base-Base interactions energy: -1505.721 where: short stacking energy: -615.780 Base-Backbone interact. energy: -0.959 local terms energy: -648.899609 where: bonds (distance) C4'-P energy: -110.495 bonds (distance) P-C4' energy: -129.302 flat angles C4'-P-C4' energy: -143.306 flat angles P-C4'-P energy: -90.406 tors. eta vs tors. theta energy: -175.391 Dist. restrs. and SS energy: 0.000 (S_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: 247 Temperature: 1.350000 Total energy: -2053.231728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.231728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.231728 (E_RNA) where: Base-Base interactions energy: -1419.518 where: short stacking energy: -574.599 Base-Backbone interact. energy: -2.929 local terms energy: -630.784808 where: bonds (distance) C4'-P energy: -102.401 bonds (distance) P-C4' energy: -131.295 flat angles C4'-P-C4' energy: -144.160 flat angles P-C4'-P energy: -88.714 tors. eta vs tors. theta energy: -164.216 Dist. restrs. and SS energy: 0.000 (S_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: 248 Temperature: 0.900000 Total energy: -2730.390529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.390529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.390529 (E_RNA) where: Base-Base interactions energy: -1948.428 where: short stacking energy: -768.065 Base-Backbone interact. energy: -2.173 local terms energy: -779.789643 where: bonds (distance) C4'-P energy: -115.144 bonds (distance) P-C4' energy: -161.881 flat angles C4'-P-C4' energy: -161.583 flat angles P-C4'-P energy: -113.108 tors. eta vs tors. theta energy: -228.074 Dist. restrs. and SS energy: 0.000 (S_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: 248 Temperature: 0.950000 Total energy: -2665.347616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.347616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.347616 (E_RNA) where: Base-Base interactions energy: -1912.331 where: short stacking energy: -732.990 Base-Backbone interact. energy: -1.700 local terms energy: -751.316550 where: bonds (distance) C4'-P energy: -125.427 bonds (distance) P-C4' energy: -149.474 flat angles C4'-P-C4' energy: -157.075 flat angles P-C4'-P energy: -101.103 tors. eta vs tors. theta energy: -218.238 Dist. restrs. and SS energy: 0.000 (S_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: 248 Temperature: 1.000000 Total energy: -2639.518210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.518210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.518210 (E_RNA) where: Base-Base interactions energy: -1880.019 where: short stacking energy: -751.617 Base-Backbone interact. energy: -1.622 local terms energy: -757.876968 where: bonds (distance) C4'-P energy: -121.616 bonds (distance) P-C4' energy: -148.881 flat angles C4'-P-C4' energy: -159.289 flat angles P-C4'-P energy: -104.812 tors. eta vs tors. theta energy: -223.280 Dist. restrs. and SS energy: 0.000 (S_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: 248 Temperature: 1.050000 Total energy: -2569.931151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.931151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.931151 (E_RNA) where: Base-Base interactions energy: -1841.457 where: short stacking energy: -739.753 Base-Backbone interact. energy: -0.399 local terms energy: -728.075753 where: bonds (distance) C4'-P energy: -107.899 bonds (distance) P-C4' energy: -132.924 flat angles C4'-P-C4' energy: -167.322 flat angles P-C4'-P energy: -101.857 tors. eta vs tors. theta energy: -218.073 Dist. restrs. and SS energy: 0.000 (S_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: -2529.228076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.228076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.228076 (E_RNA) where: Base-Base interactions energy: -1814.010 where: short stacking energy: -718.089 Base-Backbone interact. energy: -2.122 local terms energy: -713.095997 where: bonds (distance) C4'-P energy: -106.206 bonds (distance) P-C4' energy: -137.462 flat angles C4'-P-C4' energy: -147.942 flat angles P-C4'-P energy: -111.189 tors. eta vs tors. theta energy: -210.298 Dist. restrs. and SS energy: 0.000 (S_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: 248 Temperature: 1.150000 Total energy: -2461.338251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.338251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.338251 (E_RNA) where: Base-Base interactions energy: -1747.337 where: short stacking energy: -711.865 Base-Backbone interact. energy: -1.657 local terms energy: -712.343926 where: bonds (distance) C4'-P energy: -112.257 bonds (distance) P-C4' energy: -143.758 flat angles C4'-P-C4' energy: -150.780 flat angles P-C4'-P energy: -93.931 tors. eta vs tors. theta energy: -211.617 Dist. restrs. and SS energy: 0.000 (S_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: 248 Temperature: 1.200000 Total energy: -2406.956595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.956595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.956595 (E_RNA) where: Base-Base interactions energy: -1700.618 where: short stacking energy: -660.760 Base-Backbone interact. energy: -1.398 local terms energy: -704.940624 where: bonds (distance) C4'-P energy: -117.220 bonds (distance) P-C4' energy: -136.715 flat angles C4'-P-C4' energy: -152.905 flat angles P-C4'-P energy: -101.119 tors. eta vs tors. theta energy: -196.982 Dist. restrs. and SS energy: 0.000 (S_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: 248 Temperature: 1.250000 Total energy: -2320.097776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.097776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.097776 (E_RNA) where: Base-Base interactions energy: -1634.279 where: short stacking energy: -655.196 Base-Backbone interact. energy: -1.783 local terms energy: -684.035220 where: bonds (distance) C4'-P energy: -97.275 bonds (distance) P-C4' energy: -145.621 flat angles C4'-P-C4' energy: -154.732 flat angles P-C4'-P energy: -98.793 tors. eta vs tors. theta energy: -187.613 Dist. restrs. and SS energy: 0.000 (S_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: -2151.690200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.690200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.690200 (E_RNA) where: Base-Base interactions energy: -1491.690 where: short stacking energy: -610.433 Base-Backbone interact. energy: 0.770 local terms energy: -660.770989 where: bonds (distance) C4'-P energy: -111.322 bonds (distance) P-C4' energy: -138.581 flat angles C4'-P-C4' energy: -140.422 flat angles P-C4'-P energy: -91.267 tors. eta vs tors. theta energy: -179.179 Dist. restrs. and SS energy: 0.000 (S_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: 248 Temperature: 1.350000 Total energy: -2020.433486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.433486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.433486 (E_RNA) where: Base-Base interactions energy: -1393.178 where: short stacking energy: -579.173 Base-Backbone interact. energy: -2.207 local terms energy: -625.048213 where: bonds (distance) C4'-P energy: -93.323 bonds (distance) P-C4' energy: -138.445 flat angles C4'-P-C4' energy: -138.800 flat angles P-C4'-P energy: -98.822 tors. eta vs tors. theta energy: -155.659 Dist. restrs. and SS energy: 0.000 (S_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: 249 Temperature: 0.900000 Total energy: -2721.396349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.396349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.396349 (E_RNA) where: Base-Base interactions energy: -1961.254 where: short stacking energy: -768.144 Base-Backbone interact. energy: -1.161 local terms energy: -758.981102 where: bonds (distance) C4'-P energy: -120.259 bonds (distance) P-C4' energy: -149.929 flat angles C4'-P-C4' energy: -160.096 flat angles P-C4'-P energy: -101.529 tors. eta vs tors. theta energy: -227.167 Dist. restrs. and SS energy: 0.000 (S_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: 249 Temperature: 0.950000 Total energy: -2664.551392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.551392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.551392 (E_RNA) where: Base-Base interactions energy: -1921.532 where: short stacking energy: -753.505 Base-Backbone interact. energy: 0.218 local terms energy: -743.237505 where: bonds (distance) C4'-P energy: -108.482 bonds (distance) P-C4' energy: -145.117 flat angles C4'-P-C4' energy: -154.219 flat angles P-C4'-P energy: -111.165 tors. eta vs tors. theta energy: -224.255 Dist. restrs. and SS energy: 0.000 (S_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: 249 Temperature: 1.000000 Total energy: -2642.140569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.140569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.140569 (E_RNA) where: Base-Base interactions energy: -1897.992 where: short stacking energy: -758.290 Base-Backbone interact. energy: -1.011 local terms energy: -743.137596 where: bonds (distance) C4'-P energy: -120.068 bonds (distance) P-C4' energy: -145.213 flat angles C4'-P-C4' energy: -156.957 flat angles P-C4'-P energy: -104.161 tors. eta vs tors. theta energy: -216.739 Dist. restrs. and SS energy: 0.000 (S_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: -2565.826549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.826549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.826549 (E_RNA) where: Base-Base interactions energy: -1805.831 where: short stacking energy: -734.176 Base-Backbone interact. energy: -2.313 local terms energy: -757.682329 where: bonds (distance) C4'-P energy: -120.236 bonds (distance) P-C4' energy: -149.646 flat angles C4'-P-C4' energy: -157.787 flat angles P-C4'-P energy: -102.348 tors. eta vs tors. theta energy: -227.665 Dist. restrs. and SS energy: 0.000 (S_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: 249 Temperature: 1.100000 Total energy: -2515.730305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.730305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.730305 (E_RNA) where: Base-Base interactions energy: -1775.585 where: short stacking energy: -733.393 Base-Backbone interact. energy: -1.267 local terms energy: -738.878306 where: bonds (distance) C4'-P energy: -121.361 bonds (distance) P-C4' energy: -141.082 flat angles C4'-P-C4' energy: -155.405 flat angles P-C4'-P energy: -104.585 tors. eta vs tors. theta energy: -216.446 Dist. restrs. and SS energy: 0.000 (S_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: 249 Temperature: 1.150000 Total energy: -2427.160081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.160081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.160081 (E_RNA) where: Base-Base interactions energy: -1725.171 where: short stacking energy: -706.258 Base-Backbone interact. energy: 0.831 local terms energy: -702.820154 where: bonds (distance) C4'-P energy: -119.407 bonds (distance) P-C4' energy: -131.810 flat angles C4'-P-C4' energy: -146.470 flat angles P-C4'-P energy: -106.880 tors. eta vs tors. theta energy: -198.253 Dist. restrs. and SS energy: 0.000 (S_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: 249 Temperature: 1.200000 Total energy: -2449.293933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.293933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.293933 (E_RNA) where: Base-Base interactions energy: -1745.618 where: short stacking energy: -692.311 Base-Backbone interact. energy: -1.328 local terms energy: -702.347435 where: bonds (distance) C4'-P energy: -113.527 bonds (distance) P-C4' energy: -134.839 flat angles C4'-P-C4' energy: -147.459 flat angles P-C4'-P energy: -98.973 tors. eta vs tors. theta energy: -207.550 Dist. restrs. and SS energy: 0.000 (S_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: 249 Temperature: 1.250000 Total energy: -2320.597175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.597175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.597175 (E_RNA) where: Base-Base interactions energy: -1643.801 where: short stacking energy: -671.927 Base-Backbone interact. energy: 0.732 local terms energy: -677.528202 where: bonds (distance) C4'-P energy: -109.516 bonds (distance) P-C4' energy: -147.656 flat angles C4'-P-C4' energy: -134.179 flat angles P-C4'-P energy: -91.980 tors. eta vs tors. theta energy: -194.196 Dist. restrs. and SS energy: 0.000 (S_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: 249 Temperature: 1.300000 Total energy: -2167.257886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.257886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.257886 (E_RNA) where: Base-Base interactions energy: -1520.526 where: short stacking energy: -618.490 Base-Backbone interact. energy: 0.491 local terms energy: -647.222438 where: bonds (distance) C4'-P energy: -103.347 bonds (distance) P-C4' energy: -137.901 flat angles C4'-P-C4' energy: -154.272 flat angles P-C4'-P energy: -85.174 tors. eta vs tors. theta energy: -166.528 Dist. restrs. and SS energy: 0.000 (S_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: 249 Temperature: 1.350000 Total energy: -2039.685851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.685851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.685851 (E_RNA) where: Base-Base interactions energy: -1408.874 where: short stacking energy: -591.069 Base-Backbone interact. energy: -2.622 local terms energy: -628.189859 where: bonds (distance) C4'-P energy: -96.619 bonds (distance) P-C4' energy: -146.238 flat angles C4'-P-C4' energy: -135.075 flat angles P-C4'-P energy: -86.264 tors. eta vs tors. theta energy: -163.994 Dist. restrs. and SS energy: 0.000 (S_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: 250 Temperature: 0.900000 Total energy: -2734.471544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.471544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.471544 (E_RNA) where: Base-Base interactions energy: -1947.271 where: short stacking energy: -764.377 Base-Backbone interact. energy: 0.259 local terms energy: -787.459242 where: bonds (distance) C4'-P energy: -125.095 bonds (distance) P-C4' energy: -158.997 flat angles C4'-P-C4' energy: -159.982 flat angles P-C4'-P energy: -118.305 tors. eta vs tors. theta energy: -225.080 Dist. restrs. and SS energy: 0.000 (S_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: 250 Temperature: 0.950000 Total energy: -2693.322992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.322992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.322992 (E_RNA) where: Base-Base interactions energy: -1920.282 where: short stacking energy: -765.741 Base-Backbone interact. energy: -2.077 local terms energy: -770.964190 where: bonds (distance) C4'-P energy: -115.953 bonds (distance) P-C4' energy: -150.389 flat angles C4'-P-C4' energy: -163.957 flat angles P-C4'-P energy: -112.196 tors. eta vs tors. theta energy: -228.469 Dist. restrs. and SS energy: 0.000 (S_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: 250 Temperature: 1.000000 Total energy: -2652.014486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.014486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.014486 (E_RNA) where: Base-Base interactions energy: -1909.158 where: short stacking energy: -745.540 Base-Backbone interact. energy: -1.996 local terms energy: -740.861091 where: bonds (distance) C4'-P energy: -109.860 bonds (distance) P-C4' energy: -143.911 flat angles C4'-P-C4' energy: -156.112 flat angles P-C4'-P energy: -111.516 tors. eta vs tors. theta energy: -219.463 Dist. restrs. and SS energy: 0.000 (S_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: 250 Temperature: 1.050000 Total energy: -2566.566110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.566110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.566110 (E_RNA) where: Base-Base interactions energy: -1821.197 where: short stacking energy: -739.965 Base-Backbone interact. energy: -2.818 local terms energy: -742.551310 where: bonds (distance) C4'-P energy: -124.131 bonds (distance) P-C4' energy: -146.301 flat angles C4'-P-C4' energy: -149.885 flat angles P-C4'-P energy: -107.201 tors. eta vs tors. theta energy: -215.034 Dist. restrs. and SS energy: 0.000 (S_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: 250 Temperature: 1.100000 Total energy: -2498.093267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.093267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.093267 (E_RNA) where: Base-Base interactions energy: -1777.514 where: short stacking energy: -716.090 Base-Backbone interact. energy: -1.680 local terms energy: -718.899669 where: bonds (distance) C4'-P energy: -119.385 bonds (distance) P-C4' energy: -149.209 flat angles C4'-P-C4' energy: -140.067 flat angles P-C4'-P energy: -98.865 tors. eta vs tors. theta energy: -211.374 Dist. restrs. and SS energy: 0.000 (S_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: -2444.714191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.714191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.714191 (E_RNA) where: Base-Base interactions energy: -1721.004 where: short stacking energy: -709.525 Base-Backbone interact. energy: -0.445 local terms energy: -723.265551 where: bonds (distance) C4'-P energy: -105.482 bonds (distance) P-C4' energy: -145.729 flat angles C4'-P-C4' energy: -152.270 flat angles P-C4'-P energy: -101.186 tors. eta vs tors. theta energy: -218.598 Dist. restrs. and SS energy: 0.000 (S_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: 250 Temperature: 1.200000 Total energy: -2462.831843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.831843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.831843 (E_RNA) where: Base-Base interactions energy: -1760.721 where: short stacking energy: -709.108 Base-Backbone interact. energy: -4.898 local terms energy: -697.212476 where: bonds (distance) C4'-P energy: -106.333 bonds (distance) P-C4' energy: -134.710 flat angles C4'-P-C4' energy: -155.757 flat angles P-C4'-P energy: -94.578 tors. eta vs tors. theta energy: -205.835 Dist. restrs. and SS energy: 0.000 (S_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: 250 Temperature: 1.250000 Total energy: -2322.862474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.862474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.862474 (E_RNA) where: Base-Base interactions energy: -1645.041 where: short stacking energy: -668.862 Base-Backbone interact. energy: -0.430 local terms energy: -677.391572 where: bonds (distance) C4'-P energy: -109.597 bonds (distance) P-C4' energy: -126.872 flat angles C4'-P-C4' energy: -139.404 flat angles P-C4'-P energy: -98.908 tors. eta vs tors. theta energy: -202.611 Dist. restrs. and SS energy: 0.000 (S_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: 250 Temperature: 1.300000 Total energy: -2166.012026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.012026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.012026 (E_RNA) where: Base-Base interactions energy: -1502.096 where: short stacking energy: -624.837 Base-Backbone interact. energy: -2.130 local terms energy: -661.786162 where: bonds (distance) C4'-P energy: -110.743 bonds (distance) P-C4' energy: -141.554 flat angles C4'-P-C4' energy: -139.301 flat angles P-C4'-P energy: -93.316 tors. eta vs tors. theta energy: -176.873 Dist. restrs. and SS energy: 0.000 (S_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: 250 Temperature: 1.350000 Total energy: -2045.317837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.317837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.317837 (E_RNA) where: Base-Base interactions energy: -1415.720 where: short stacking energy: -603.943 Base-Backbone interact. energy: -1.555 local terms energy: -628.043052 where: bonds (distance) C4'-P energy: -91.969 bonds (distance) P-C4' energy: -129.157 flat angles C4'-P-C4' energy: -141.078 flat angles P-C4'-P energy: -92.630 tors. eta vs tors. theta energy: -173.209 Dist. restrs. and SS energy: 0.000 (S_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: 251 Temperature: 0.900000 Total energy: -2705.655235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.655235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.655235 (E_RNA) where: Base-Base interactions energy: -1929.067 where: short stacking energy: -759.300 Base-Backbone interact. energy: 1.333 local terms energy: -777.920952 where: bonds (distance) C4'-P energy: -134.344 bonds (distance) P-C4' energy: -145.649 flat angles C4'-P-C4' energy: -167.058 flat angles P-C4'-P energy: -109.177 tors. eta vs tors. theta energy: -221.693 Dist. restrs. and SS energy: 0.000 (S_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: 251 Temperature: 0.950000 Total energy: -2674.763764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.763764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.763764 (E_RNA) where: Base-Base interactions energy: -1923.452 where: short stacking energy: -782.134 Base-Backbone interact. energy: 2.302 local terms energy: -753.613808 where: bonds (distance) C4'-P energy: -117.514 bonds (distance) P-C4' energy: -142.892 flat angles C4'-P-C4' energy: -160.457 flat angles P-C4'-P energy: -107.533 tors. eta vs tors. theta energy: -225.218 Dist. restrs. and SS energy: 0.000 (S_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: -2624.267996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.267996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.267996 (E_RNA) where: Base-Base interactions energy: -1873.668 where: short stacking energy: -742.983 Base-Backbone interact. energy: -2.603 local terms energy: -747.997195 where: bonds (distance) C4'-P energy: -118.632 bonds (distance) P-C4' energy: -144.520 flat angles C4'-P-C4' energy: -157.968 flat angles P-C4'-P energy: -115.458 tors. eta vs tors. theta energy: -211.420 Dist. restrs. and SS energy: 0.000 (S_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: 251 Temperature: 1.050000 Total energy: -2548.328068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.328068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.328068 (E_RNA) where: Base-Base interactions energy: -1791.953 where: short stacking energy: -729.532 Base-Backbone interact. energy: -0.055 local terms energy: -756.319935 where: bonds (distance) C4'-P energy: -130.434 bonds (distance) P-C4' energy: -152.651 flat angles C4'-P-C4' energy: -148.028 flat angles P-C4'-P energy: -104.806 tors. eta vs tors. theta energy: -220.401 Dist. restrs. and SS energy: 0.000 (S_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: 251 Temperature: 1.100000 Total energy: -2509.048070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.048070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.048070 (E_RNA) where: Base-Base interactions energy: -1773.931 where: short stacking energy: -723.490 Base-Backbone interact. energy: 0.440 local terms energy: -735.556211 where: bonds (distance) C4'-P energy: -96.241 bonds (distance) P-C4' energy: -157.046 flat angles C4'-P-C4' energy: -151.644 flat angles P-C4'-P energy: -114.168 tors. eta vs tors. theta energy: -216.456 Dist. restrs. and SS energy: 0.000 (S_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: 251 Temperature: 1.150000 Total energy: -2407.721096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.721096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.721096 (E_RNA) where: Base-Base interactions energy: -1700.889 where: short stacking energy: -703.522 Base-Backbone interact. energy: -0.401 local terms energy: -706.431013 where: bonds (distance) C4'-P energy: -113.048 bonds (distance) P-C4' energy: -141.166 flat angles C4'-P-C4' energy: -151.058 flat angles P-C4'-P energy: -102.036 tors. eta vs tors. theta energy: -199.123 Dist. restrs. and SS energy: 0.000 (S_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: 251 Temperature: 1.200000 Total energy: -2456.851897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.851897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.851897 (E_RNA) where: Base-Base interactions energy: -1743.522 where: short stacking energy: -700.664 Base-Backbone interact. energy: -1.028 local terms energy: -712.301975 where: bonds (distance) C4'-P energy: -111.113 bonds (distance) P-C4' energy: -155.891 flat angles C4'-P-C4' energy: -144.655 flat angles P-C4'-P energy: -93.794 tors. eta vs tors. theta energy: -206.850 Dist. restrs. and SS energy: 0.000 (S_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: 251 Temperature: 1.250000 Total energy: -2286.920993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.920993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.920993 (E_RNA) where: Base-Base interactions energy: -1602.909 where: short stacking energy: -648.462 Base-Backbone interact. energy: -0.052 local terms energy: -683.959369 where: bonds (distance) C4'-P energy: -114.026 bonds (distance) P-C4' energy: -131.753 flat angles C4'-P-C4' energy: -145.726 flat angles P-C4'-P energy: -101.326 tors. eta vs tors. theta energy: -191.129 Dist. restrs. and SS energy: 0.000 (S_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: 251 Temperature: 1.300000 Total energy: -2204.618663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.618663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.618663 (E_RNA) where: Base-Base interactions energy: -1542.160 where: short stacking energy: -624.678 Base-Backbone interact. energy: -1.963 local terms energy: -660.495605 where: bonds (distance) C4'-P energy: -94.621 bonds (distance) P-C4' energy: -156.335 flat angles C4'-P-C4' energy: -134.874 flat angles P-C4'-P energy: -93.864 tors. eta vs tors. theta energy: -180.802 Dist. restrs. and SS energy: 0.000 (S_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: 251 Temperature: 1.350000 Total energy: -2027.021675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.021675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.021675 (E_RNA) where: Base-Base interactions energy: -1403.778 where: short stacking energy: -575.365 Base-Backbone interact. energy: -1.061 local terms energy: -622.183154 where: bonds (distance) C4'-P energy: -111.209 bonds (distance) P-C4' energy: -131.008 flat angles C4'-P-C4' energy: -136.979 flat angles P-C4'-P energy: -87.012 tors. eta vs tors. theta energy: -155.975 Dist. restrs. and SS energy: 0.000 (S_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: 252 Temperature: 0.900000 Total energy: -2727.713656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.713656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.713656 (E_RNA) where: Base-Base interactions energy: -1944.476 where: short stacking energy: -776.101 Base-Backbone interact. energy: -2.235 local terms energy: -781.002605 where: bonds (distance) C4'-P energy: -122.744 bonds (distance) P-C4' energy: -159.222 flat angles C4'-P-C4' energy: -164.016 flat angles P-C4'-P energy: -106.907 tors. eta vs tors. theta energy: -228.113 Dist. restrs. and SS energy: 0.000 (S_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: 252 Temperature: 0.950000 Total energy: -2677.984665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.984665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.984665 (E_RNA) where: Base-Base interactions energy: -1918.689 where: short stacking energy: -774.482 Base-Backbone interact. energy: -1.725 local terms energy: -757.571334 where: bonds (distance) C4'-P energy: -120.098 bonds (distance) P-C4' energy: -145.593 flat angles C4'-P-C4' energy: -154.571 flat angles P-C4'-P energy: -112.649 tors. eta vs tors. theta energy: -224.660 Dist. restrs. and SS energy: 0.000 (S_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: 252 Temperature: 1.000000 Total energy: -2645.245838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.245838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.245838 (E_RNA) where: Base-Base interactions energy: -1902.904 where: short stacking energy: -748.882 Base-Backbone interact. energy: -2.168 local terms energy: -740.173609 where: bonds (distance) C4'-P energy: -119.350 bonds (distance) P-C4' energy: -145.389 flat angles C4'-P-C4' energy: -157.178 flat angles P-C4'-P energy: -107.105 tors. eta vs tors. theta energy: -211.152 Dist. restrs. and SS energy: 0.000 (S_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: 252 Temperature: 1.050000 Total energy: -2575.418304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.418304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.418304 (E_RNA) where: Base-Base interactions energy: -1826.367 where: short stacking energy: -735.898 Base-Backbone interact. energy: -0.916 local terms energy: -748.135696 where: bonds (distance) C4'-P energy: -108.119 bonds (distance) P-C4' energy: -146.809 flat angles C4'-P-C4' energy: -156.865 flat angles P-C4'-P energy: -108.040 tors. eta vs tors. theta energy: -228.302 Dist. restrs. and SS energy: 0.000 (S_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: 252 Temperature: 1.100000 Total energy: -2530.088718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.088718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.088718 (E_RNA) where: Base-Base interactions energy: -1800.451 where: short stacking energy: -722.786 Base-Backbone interact. energy: -2.458 local terms energy: -727.179259 where: bonds (distance) C4'-P energy: -117.118 bonds (distance) P-C4' energy: -144.644 flat angles C4'-P-C4' energy: -147.195 flat angles P-C4'-P energy: -99.932 tors. eta vs tors. theta energy: -218.289 Dist. restrs. and SS energy: 0.000 (S_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: 252 Temperature: 1.150000 Total energy: -2400.031905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.031905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.031905 (E_RNA) where: Base-Base interactions energy: -1692.477 where: short stacking energy: -685.360 Base-Backbone interact. energy: -1.636 local terms energy: -705.918879 where: bonds (distance) C4'-P energy: -109.452 bonds (distance) P-C4' energy: -135.643 flat angles C4'-P-C4' energy: -157.321 flat angles P-C4'-P energy: -99.286 tors. eta vs tors. theta energy: -204.217 Dist. restrs. and SS energy: 0.000 (S_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: -2437.095283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.095283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.095283 (E_RNA) where: Base-Base interactions energy: -1741.015 where: short stacking energy: -686.005 Base-Backbone interact. energy: -0.784 local terms energy: -695.296411 where: bonds (distance) C4'-P energy: -102.091 bonds (distance) P-C4' energy: -144.296 flat angles C4'-P-C4' energy: -150.132 flat angles P-C4'-P energy: -100.765 tors. eta vs tors. theta energy: -198.012 Dist. restrs. and SS energy: 0.000 (S_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: 252 Temperature: 1.250000 Total energy: -2268.049883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.049883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.049883 (E_RNA) where: Base-Base interactions energy: -1595.669 where: short stacking energy: -646.693 Base-Backbone interact. energy: -1.211 local terms energy: -671.169618 where: bonds (distance) C4'-P energy: -106.552 bonds (distance) P-C4' energy: -135.657 flat angles C4'-P-C4' energy: -141.699 flat angles P-C4'-P energy: -94.337 tors. eta vs tors. theta energy: -192.924 Dist. restrs. and SS energy: 0.000 (S_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: 252 Temperature: 1.300000 Total energy: -2190.611670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.611670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.611670 (E_RNA) where: Base-Base interactions energy: -1552.644 where: short stacking energy: -654.640 Base-Backbone interact. energy: -2.199 local terms energy: -635.768561 where: bonds (distance) C4'-P energy: -95.458 bonds (distance) P-C4' energy: -133.054 flat angles C4'-P-C4' energy: -136.991 flat angles P-C4'-P energy: -84.398 tors. eta vs tors. theta energy: -185.868 Dist. restrs. and SS energy: 0.000 (S_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: 252 Temperature: 1.350000 Total energy: -2032.415756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.415756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.415756 (E_RNA) where: Base-Base interactions energy: -1410.396 where: short stacking energy: -569.504 Base-Backbone interact. energy: 1.121 local terms energy: -623.140584 where: bonds (distance) C4'-P energy: -108.354 bonds (distance) P-C4' energy: -148.386 flat angles C4'-P-C4' energy: -114.505 flat angles P-C4'-P energy: -95.038 tors. eta vs tors. theta energy: -156.858 Dist. restrs. and SS energy: 0.000 (S_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: 253 Temperature: 0.900000 Total energy: -2711.656644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.656644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.656644 (E_RNA) where: Base-Base interactions energy: -1931.763 where: short stacking energy: -754.736 Base-Backbone interact. energy: -1.773 local terms energy: -778.120229 where: bonds (distance) C4'-P energy: -121.170 bonds (distance) P-C4' energy: -164.162 flat angles C4'-P-C4' energy: -158.442 flat angles P-C4'-P energy: -105.849 tors. eta vs tors. theta energy: -228.498 Dist. restrs. and SS energy: 0.000 (S_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: 253 Temperature: 0.950000 Total energy: -2697.221695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.221695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.221695 (E_RNA) where: Base-Base interactions energy: -1914.934 where: short stacking energy: -763.907 Base-Backbone interact. energy: -2.026 local terms energy: -780.261511 where: bonds (distance) C4'-P energy: -121.946 bonds (distance) P-C4' energy: -160.992 flat angles C4'-P-C4' energy: -159.796 flat angles P-C4'-P energy: -108.218 tors. eta vs tors. theta energy: -229.310 Dist. restrs. and SS energy: 0.000 (S_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: 253 Temperature: 1.000000 Total energy: -2649.594848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.594848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.594848 (E_RNA) where: Base-Base interactions energy: -1896.104 where: short stacking energy: -757.965 Base-Backbone interact. energy: -2.970 local terms energy: -750.520183 where: bonds (distance) C4'-P energy: -119.570 bonds (distance) P-C4' energy: -146.716 flat angles C4'-P-C4' energy: -158.280 flat angles P-C4'-P energy: -106.661 tors. eta vs tors. theta energy: -219.293 Dist. restrs. and SS energy: 0.000 (S_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: 253 Temperature: 1.050000 Total energy: -2564.591845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.591845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.591845 (E_RNA) where: Base-Base interactions energy: -1809.853 where: short stacking energy: -741.383 Base-Backbone interact. energy: 2.220 local terms energy: -756.958633 where: bonds (distance) C4'-P energy: -100.649 bonds (distance) P-C4' energy: -148.287 flat angles C4'-P-C4' energy: -161.140 flat angles P-C4'-P energy: -116.435 tors. eta vs tors. theta energy: -230.448 Dist. restrs. and SS energy: 0.000 (S_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: 253 Temperature: 1.100000 Total energy: -2521.138307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.138307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.138307 (E_RNA) where: Base-Base interactions energy: -1795.403 where: short stacking energy: -722.189 Base-Backbone interact. energy: -1.263 local terms energy: -724.473106 where: bonds (distance) C4'-P energy: -105.679 bonds (distance) P-C4' energy: -138.750 flat angles C4'-P-C4' energy: -152.763 flat angles P-C4'-P energy: -109.149 tors. eta vs tors. theta energy: -218.132 Dist. restrs. and SS energy: 0.000 (S_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: -2470.799324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.799324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.799324 (E_RNA) where: Base-Base interactions energy: -1732.339 where: short stacking energy: -696.597 Base-Backbone interact. energy: -1.042 local terms energy: -737.418426 where: bonds (distance) C4'-P energy: -113.039 bonds (distance) P-C4' energy: -141.844 flat angles C4'-P-C4' energy: -163.147 flat angles P-C4'-P energy: -110.733 tors. eta vs tors. theta energy: -208.656 Dist. restrs. and SS energy: 0.000 (S_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: 253 Temperature: 1.200000 Total energy: -2378.806832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.806832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.806832 (E_RNA) where: Base-Base interactions energy: -1673.745 where: short stacking energy: -677.590 Base-Backbone interact. energy: -1.412 local terms energy: -703.650288 where: bonds (distance) C4'-P energy: -110.146 bonds (distance) P-C4' energy: -143.704 flat angles C4'-P-C4' energy: -156.577 flat angles P-C4'-P energy: -91.330 tors. eta vs tors. theta energy: -201.894 Dist. restrs. and SS energy: 0.000 (S_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: 253 Temperature: 1.250000 Total energy: -2310.109948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.109948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.109948 (E_RNA) where: Base-Base interactions energy: -1608.390 where: short stacking energy: -666.943 Base-Backbone interact. energy: -0.441 local terms energy: -701.278806 where: bonds (distance) C4'-P energy: -122.280 bonds (distance) P-C4' energy: -140.496 flat angles C4'-P-C4' energy: -142.980 flat angles P-C4'-P energy: -96.041 tors. eta vs tors. theta energy: -199.482 Dist. restrs. and SS energy: 0.000 (S_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: 253 Temperature: 1.300000 Total energy: -2185.936862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.936862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.936862 (E_RNA) where: Base-Base interactions energy: -1523.903 where: short stacking energy: -617.175 Base-Backbone interact. energy: -1.465 local terms energy: -660.568923 where: bonds (distance) C4'-P energy: -111.593 bonds (distance) P-C4' energy: -146.256 flat angles C4'-P-C4' energy: -135.501 flat angles P-C4'-P energy: -88.666 tors. eta vs tors. theta energy: -178.553 Dist. restrs. and SS energy: 0.000 (S_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: 253 Temperature: 1.350000 Total energy: -2048.253940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.253940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.253940 (E_RNA) where: Base-Base interactions energy: -1396.545 where: short stacking energy: -587.362 Base-Backbone interact. energy: -1.758 local terms energy: -649.950755 where: bonds (distance) C4'-P energy: -111.892 bonds (distance) P-C4' energy: -151.409 flat angles C4'-P-C4' energy: -129.996 flat angles P-C4'-P energy: -88.149 tors. eta vs tors. theta energy: -168.504 Dist. restrs. and SS energy: 0.000 (S_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: 254 Temperature: 0.900000 Total energy: -2709.130150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.130150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.130150 (E_RNA) where: Base-Base interactions energy: -1931.733 where: short stacking energy: -774.241 Base-Backbone interact. energy: -2.253 local terms energy: -775.144191 where: bonds (distance) C4'-P energy: -119.063 bonds (distance) P-C4' energy: -158.686 flat angles C4'-P-C4' energy: -158.876 flat angles P-C4'-P energy: -109.876 tors. eta vs tors. theta energy: -228.642 Dist. restrs. and SS energy: 0.000 (S_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: 254 Temperature: 0.950000 Total energy: -2683.063655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.063655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.063655 (E_RNA) where: Base-Base interactions energy: -1909.961 where: short stacking energy: -753.601 Base-Backbone interact. energy: 0.934 local terms energy: -774.036617 where: bonds (distance) C4'-P energy: -117.686 bonds (distance) P-C4' energy: -148.688 flat angles C4'-P-C4' energy: -164.998 flat angles P-C4'-P energy: -112.735 tors. eta vs tors. theta energy: -229.930 Dist. restrs. and SS energy: 0.000 (S_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: 254 Temperature: 1.000000 Total energy: -2632.247850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.247850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.247850 (E_RNA) where: Base-Base interactions energy: -1884.600 where: short stacking energy: -733.947 Base-Backbone interact. energy: -3.768 local terms energy: -743.880081 where: bonds (distance) C4'-P energy: -104.577 bonds (distance) P-C4' energy: -150.781 flat angles C4'-P-C4' energy: -165.191 flat angles P-C4'-P energy: -106.556 tors. eta vs tors. theta energy: -216.776 Dist. restrs. and SS energy: 0.000 (S_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: 254 Temperature: 1.050000 Total energy: -2569.892015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.892015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.892015 (E_RNA) where: Base-Base interactions energy: -1825.940 where: short stacking energy: -736.052 Base-Backbone interact. energy: -1.113 local terms energy: -742.838422 where: bonds (distance) C4'-P energy: -117.449 bonds (distance) P-C4' energy: -149.145 flat angles C4'-P-C4' energy: -156.363 flat angles P-C4'-P energy: -93.536 tors. eta vs tors. theta energy: -226.346 Dist. restrs. and SS energy: 0.000 (S_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: 254 Temperature: 1.100000 Total energy: -2516.591016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.591016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.591016 (E_RNA) where: Base-Base interactions energy: -1769.300 where: short stacking energy: -709.346 Base-Backbone interact. energy: -1.231 local terms energy: -746.060025 where: bonds (distance) C4'-P energy: -123.525 bonds (distance) P-C4' energy: -144.484 flat angles C4'-P-C4' energy: -155.858 flat angles P-C4'-P energy: -104.497 tors. eta vs tors. theta energy: -217.696 Dist. restrs. and SS energy: 0.000 (S_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: 254 Temperature: 1.150000 Total energy: -2474.887865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.887865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.887865 (E_RNA) where: Base-Base interactions energy: -1750.248 where: short stacking energy: -698.241 Base-Backbone interact. energy: -0.031 local terms energy: -724.607984 where: bonds (distance) C4'-P energy: -116.056 bonds (distance) P-C4' energy: -143.920 flat angles C4'-P-C4' energy: -152.299 flat angles P-C4'-P energy: -104.456 tors. eta vs tors. theta energy: -207.877 Dist. restrs. and SS energy: 0.000 (S_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: 254 Temperature: 1.200000 Total energy: -2327.262688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.262688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.262688 (E_RNA) where: Base-Base interactions energy: -1643.124 where: short stacking energy: -659.668 Base-Backbone interact. energy: -3.103 local terms energy: -681.035782 where: bonds (distance) C4'-P energy: -96.576 bonds (distance) P-C4' energy: -135.154 flat angles C4'-P-C4' energy: -146.242 flat angles P-C4'-P energy: -107.203 tors. eta vs tors. theta energy: -195.860 Dist. restrs. and SS energy: 0.000 (S_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: 254 Temperature: 1.250000 Total energy: -2265.957141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.957141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.957141 (E_RNA) where: Base-Base interactions energy: -1591.411 where: short stacking energy: -647.897 Base-Backbone interact. energy: -2.385 local terms energy: -672.161446 where: bonds (distance) C4'-P energy: -99.384 bonds (distance) P-C4' energy: -138.965 flat angles C4'-P-C4' energy: -142.281 flat angles P-C4'-P energy: -105.835 tors. eta vs tors. theta energy: -185.695 Dist. restrs. and SS energy: 0.000 (S_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: 254 Temperature: 1.300000 Total energy: -2084.467195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.467195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.467195 (E_RNA) where: Base-Base interactions energy: -1421.755 where: short stacking energy: -586.082 Base-Backbone interact. energy: -1.709 local terms energy: -661.002941 where: bonds (distance) C4'-P energy: -112.326 bonds (distance) P-C4' energy: -138.000 flat angles C4'-P-C4' energy: -137.050 flat angles P-C4'-P energy: -98.697 tors. eta vs tors. theta energy: -174.930 Dist. restrs. and SS energy: 0.000 (S_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: 254 Temperature: 1.350000 Total energy: -2136.792364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.792364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.792364 (E_RNA) where: Base-Base interactions energy: -1482.084 where: short stacking energy: -611.773 Base-Backbone interact. energy: 1.545 local terms energy: -656.253218 where: bonds (distance) C4'-P energy: -92.295 bonds (distance) P-C4' energy: -148.676 flat angles C4'-P-C4' energy: -145.545 flat angles P-C4'-P energy: -95.033 tors. eta vs tors. theta energy: -174.704 Dist. restrs. and SS energy: 0.000 (S_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: 255 Temperature: 0.900000 Total energy: -2715.052630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.052630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.052630 (E_RNA) where: Base-Base interactions energy: -1930.642 where: short stacking energy: -776.542 Base-Backbone interact. energy: -3.503 local terms energy: -780.907779 where: bonds (distance) C4'-P energy: -124.563 bonds (distance) P-C4' energy: -162.065 flat angles C4'-P-C4' energy: -161.933 flat angles P-C4'-P energy: -105.379 tors. eta vs tors. theta energy: -226.967 Dist. restrs. and SS energy: 0.000 (S_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: 255 Temperature: 0.950000 Total energy: -2646.244523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.244523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.244523 (E_RNA) where: Base-Base interactions energy: -1915.816 where: short stacking energy: -744.312 Base-Backbone interact. energy: -2.712 local terms energy: -727.716307 where: bonds (distance) C4'-P energy: -113.138 bonds (distance) P-C4' energy: -141.448 flat angles C4'-P-C4' energy: -159.912 flat angles P-C4'-P energy: -101.307 tors. eta vs tors. theta energy: -211.911 Dist. restrs. and SS energy: 0.000 (S_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: 255 Temperature: 1.000000 Total energy: -2667.351844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.351844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.351844 (E_RNA) where: Base-Base interactions energy: -1891.772 where: short stacking energy: -745.198 Base-Backbone interact. energy: -1.591 local terms energy: -773.989286 where: bonds (distance) C4'-P energy: -116.166 bonds (distance) P-C4' energy: -160.443 flat angles C4'-P-C4' energy: -160.735 flat angles P-C4'-P energy: -109.941 tors. eta vs tors. theta energy: -226.704 Dist. restrs. and SS energy: 0.000 (S_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: 255 Temperature: 1.050000 Total energy: -2551.658625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.658625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.658625 (E_RNA) where: Base-Base interactions energy: -1814.740 where: short stacking energy: -731.768 Base-Backbone interact. energy: -0.299 local terms energy: -736.619993 where: bonds (distance) C4'-P energy: -118.405 bonds (distance) P-C4' energy: -151.187 flat angles C4'-P-C4' energy: -149.122 flat angles P-C4'-P energy: -97.002 tors. eta vs tors. theta energy: -220.904 Dist. restrs. and SS energy: 0.000 (S_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: 255 Temperature: 1.100000 Total energy: -2528.510383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.510383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.510383 (E_RNA) where: Base-Base interactions energy: -1782.983 where: short stacking energy: -711.099 Base-Backbone interact. energy: -3.788 local terms energy: -741.739093 where: bonds (distance) C4'-P energy: -116.755 bonds (distance) P-C4' energy: -156.429 flat angles C4'-P-C4' energy: -146.178 flat angles P-C4'-P energy: -110.519 tors. eta vs tors. theta energy: -211.858 Dist. restrs. and SS energy: 0.000 (S_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: 255 Temperature: 1.150000 Total energy: -2490.683966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.683966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.683966 (E_RNA) where: Base-Base interactions energy: -1767.632 where: short stacking energy: -708.354 Base-Backbone interact. energy: -2.331 local terms energy: -720.720932 where: bonds (distance) C4'-P energy: -116.334 bonds (distance) P-C4' energy: -145.081 flat angles C4'-P-C4' energy: -152.589 flat angles P-C4'-P energy: -102.477 tors. eta vs tors. theta energy: -204.239 Dist. restrs. and SS energy: 0.000 (S_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: 255 Temperature: 1.200000 Total energy: -2408.081997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.081997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.081997 (E_RNA) where: Base-Base interactions energy: -1688.002 where: short stacking energy: -687.011 Base-Backbone interact. energy: -1.921 local terms energy: -718.158613 where: bonds (distance) C4'-P energy: -126.365 bonds (distance) P-C4' energy: -137.848 flat angles C4'-P-C4' energy: -145.321 flat angles P-C4'-P energy: -106.668 tors. eta vs tors. theta energy: -201.956 Dist. restrs. and SS energy: 0.000 (S_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: 255 Temperature: 1.250000 Total energy: -2314.039286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.039286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.039286 (E_RNA) where: Base-Base interactions energy: -1636.075 where: short stacking energy: -665.161 Base-Backbone interact. energy: -1.186 local terms energy: -676.777950 where: bonds (distance) C4'-P energy: -98.109 bonds (distance) P-C4' energy: -123.140 flat angles C4'-P-C4' energy: -153.103 flat angles P-C4'-P energy: -106.271 tors. eta vs tors. theta energy: -196.155 Dist. restrs. and SS energy: 0.000 (S_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: 255 Temperature: 1.300000 Total energy: -2137.737337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.737337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.737337 (E_RNA) where: Base-Base interactions energy: -1485.193 where: short stacking energy: -624.748 Base-Backbone interact. energy: -1.533 local terms energy: -651.012025 where: bonds (distance) C4'-P energy: -101.145 bonds (distance) P-C4' energy: -129.141 flat angles C4'-P-C4' energy: -145.441 flat angles P-C4'-P energy: -96.881 tors. eta vs tors. theta energy: -178.405 Dist. restrs. and SS energy: 0.000 (S_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: 255 Temperature: 1.350000 Total energy: -2138.239340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.239340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.239340 (E_RNA) where: Base-Base interactions energy: -1502.316 where: short stacking energy: -617.342 Base-Backbone interact. energy: -0.018 local terms energy: -635.904677 where: bonds (distance) C4'-P energy: -105.015 bonds (distance) P-C4' energy: -132.707 flat angles C4'-P-C4' energy: -137.247 flat angles P-C4'-P energy: -82.666 tors. eta vs tors. theta energy: -178.269 Dist. restrs. and SS energy: 0.000 (S_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: 256 Temperature: 0.900000 Total energy: -2704.385789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.385789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.385789 (E_RNA) where: Base-Base interactions energy: -1923.806 where: short stacking energy: -774.480 Base-Backbone interact. energy: -1.557 local terms energy: -779.022108 where: bonds (distance) C4'-P energy: -131.523 bonds (distance) P-C4' energy: -152.111 flat angles C4'-P-C4' energy: -159.739 flat angles P-C4'-P energy: -108.380 tors. eta vs tors. theta energy: -227.270 Dist. restrs. and SS energy: 0.000 (S_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: 256 Temperature: 0.950000 Total energy: -2690.947156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.947156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.947156 (E_RNA) where: Base-Base interactions energy: -1941.861 where: short stacking energy: -757.001 Base-Backbone interact. energy: -2.521 local terms energy: -746.565394 where: bonds (distance) C4'-P energy: -108.272 bonds (distance) P-C4' energy: -154.869 flat angles C4'-P-C4' energy: -154.046 flat angles P-C4'-P energy: -112.746 tors. eta vs tors. theta energy: -216.633 Dist. restrs. and SS energy: 0.000 (S_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: 256 Temperature: 1.000000 Total energy: -2636.638172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.638172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.638172 (E_RNA) where: Base-Base interactions energy: -1882.181 where: short stacking energy: -740.593 Base-Backbone interact. energy: -2.774 local terms energy: -751.683446 where: bonds (distance) C4'-P energy: -119.523 bonds (distance) P-C4' energy: -146.467 flat angles C4'-P-C4' energy: -155.194 flat angles P-C4'-P energy: -111.149 tors. eta vs tors. theta energy: -219.350 Dist. restrs. and SS energy: 0.000 (S_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: -2599.516141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.516141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.516141 (E_RNA) where: Base-Base interactions energy: -1838.141 where: short stacking energy: -746.826 Base-Backbone interact. energy: -1.414 local terms energy: -759.961116 where: bonds (distance) C4'-P energy: -117.874 bonds (distance) P-C4' energy: -138.827 flat angles C4'-P-C4' energy: -164.404 flat angles P-C4'-P energy: -113.969 tors. eta vs tors. theta energy: -224.888 Dist. restrs. and SS energy: 0.000 (S_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: -2540.778328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.778328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.778328 (E_RNA) where: Base-Base interactions energy: -1795.130 where: short stacking energy: -731.894 Base-Backbone interact. energy: -0.666 local terms energy: -744.982482 where: bonds (distance) C4'-P energy: -118.441 bonds (distance) P-C4' energy: -142.714 flat angles C4'-P-C4' energy: -156.096 flat angles P-C4'-P energy: -108.488 tors. eta vs tors. theta energy: -219.243 Dist. restrs. and SS energy: 0.000 (S_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: 256 Temperature: 1.150000 Total energy: -2487.760859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.760859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.760859 (E_RNA) where: Base-Base interactions energy: -1758.673 where: short stacking energy: -710.785 Base-Backbone interact. energy: -1.198 local terms energy: -727.889157 where: bonds (distance) C4'-P energy: -119.351 bonds (distance) P-C4' energy: -149.063 flat angles C4'-P-C4' energy: -153.674 flat angles P-C4'-P energy: -101.532 tors. eta vs tors. theta energy: -204.269 Dist. restrs. and SS energy: 0.000 (S_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: 256 Temperature: 1.200000 Total energy: -2411.244755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.244755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.244755 (E_RNA) where: Base-Base interactions energy: -1715.310 where: short stacking energy: -666.911 Base-Backbone interact. energy: -1.796 local terms energy: -694.139024 where: bonds (distance) C4'-P energy: -113.354 bonds (distance) P-C4' energy: -141.769 flat angles C4'-P-C4' energy: -145.787 flat angles P-C4'-P energy: -98.207 tors. eta vs tors. theta energy: -195.022 Dist. restrs. and SS energy: 0.000 (S_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: 256 Temperature: 1.250000 Total energy: -2304.717715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.717715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.717715 (E_RNA) where: Base-Base interactions energy: -1627.162 where: short stacking energy: -654.947 Base-Backbone interact. energy: -1.341 local terms energy: -676.214832 where: bonds (distance) C4'-P energy: -104.090 bonds (distance) P-C4' energy: -141.140 flat angles C4'-P-C4' energy: -146.183 flat angles P-C4'-P energy: -91.209 tors. eta vs tors. theta energy: -193.593 Dist. restrs. and SS energy: 0.000 (S_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: 256 Temperature: 1.300000 Total energy: -2218.572027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.572027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.572027 (E_RNA) where: Base-Base interactions energy: -1565.779 where: short stacking energy: -634.046 Base-Backbone interact. energy: 0.877 local terms energy: -653.670557 where: bonds (distance) C4'-P energy: -97.355 bonds (distance) P-C4' energy: -134.670 flat angles C4'-P-C4' energy: -143.872 flat angles P-C4'-P energy: -86.820 tors. eta vs tors. theta energy: -190.954 Dist. restrs. and SS energy: 0.000 (S_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: 256 Temperature: 1.350000 Total energy: -2103.772983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.772983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.772983 (E_RNA) where: Base-Base interactions energy: -1471.067 where: short stacking energy: -594.403 Base-Backbone interact. energy: 1.779 local terms energy: -634.485016 where: bonds (distance) C4'-P energy: -113.736 bonds (distance) P-C4' energy: -121.993 flat angles C4'-P-C4' energy: -137.795 flat angles P-C4'-P energy: -91.261 tors. eta vs tors. theta energy: -169.700 Dist. restrs. and SS energy: 0.000 (S_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: 257 Temperature: 0.900000 Total energy: -2692.796153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.796153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.796153 (E_RNA) where: Base-Base interactions energy: -1915.628 where: short stacking energy: -767.612 Base-Backbone interact. energy: -0.764 local terms energy: -776.404132 where: bonds (distance) C4'-P energy: -119.537 bonds (distance) P-C4' energy: -154.791 flat angles C4'-P-C4' energy: -154.961 flat angles P-C4'-P energy: -119.731 tors. eta vs tors. theta energy: -227.383 Dist. restrs. and SS energy: 0.000 (S_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: 257 Temperature: 0.950000 Total energy: -2670.342031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.342031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.342031 (E_RNA) where: Base-Base interactions energy: -1903.132 where: short stacking energy: -755.539 Base-Backbone interact. energy: -1.998 local terms energy: -765.212104 where: bonds (distance) C4'-P energy: -109.037 bonds (distance) P-C4' energy: -154.989 flat angles C4'-P-C4' energy: -165.733 flat angles P-C4'-P energy: -110.877 tors. eta vs tors. theta energy: -224.575 Dist. restrs. and SS energy: 0.000 (S_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: 257 Temperature: 1.000000 Total energy: -2641.371348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.371348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.371348 (E_RNA) where: Base-Base interactions energy: -1892.336 where: short stacking energy: -747.001 Base-Backbone interact. energy: -4.020 local terms energy: -745.014469 where: bonds (distance) C4'-P energy: -106.216 bonds (distance) P-C4' energy: -154.661 flat angles C4'-P-C4' energy: -153.830 flat angles P-C4'-P energy: -112.999 tors. eta vs tors. theta energy: -217.308 Dist. restrs. and SS energy: 0.000 (S_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: 257 Temperature: 1.050000 Total energy: -2607.148387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.148387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.148387 (E_RNA) where: Base-Base interactions energy: -1840.330 where: short stacking energy: -745.383 Base-Backbone interact. energy: -3.351 local terms energy: -763.466892 where: bonds (distance) C4'-P energy: -120.930 bonds (distance) P-C4' energy: -152.002 flat angles C4'-P-C4' energy: -155.480 flat angles P-C4'-P energy: -110.022 tors. eta vs tors. theta energy: -225.033 Dist. restrs. and SS energy: 0.000 (S_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: 257 Temperature: 1.100000 Total energy: -2522.148376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.148376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.148376 (E_RNA) where: Base-Base interactions energy: -1813.128 where: short stacking energy: -722.360 Base-Backbone interact. energy: -2.767 local terms energy: -706.253692 where: bonds (distance) C4'-P energy: -104.858 bonds (distance) P-C4' energy: -129.684 flat angles C4'-P-C4' energy: -150.533 flat angles P-C4'-P energy: -99.776 tors. eta vs tors. theta energy: -221.403 Dist. restrs. and SS energy: 0.000 (S_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: 257 Temperature: 1.150000 Total energy: -2454.400151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.400151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.400151 (E_RNA) where: Base-Base interactions energy: -1744.902 where: short stacking energy: -680.893 Base-Backbone interact. energy: -1.947 local terms energy: -707.551287 where: bonds (distance) C4'-P energy: -106.444 bonds (distance) P-C4' energy: -139.129 flat angles C4'-P-C4' energy: -157.913 flat angles P-C4'-P energy: -95.556 tors. eta vs tors. theta energy: -208.510 Dist. restrs. and SS energy: 0.000 (S_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: 257 Temperature: 1.200000 Total energy: -2416.151782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.151782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.151782 (E_RNA) where: Base-Base interactions energy: -1705.226 where: short stacking energy: -678.684 Base-Backbone interact. energy: -0.264 local terms energy: -710.662178 where: bonds (distance) C4'-P energy: -110.604 bonds (distance) P-C4' energy: -152.381 flat angles C4'-P-C4' energy: -153.949 flat angles P-C4'-P energy: -92.240 tors. eta vs tors. theta energy: -201.488 Dist. restrs. and SS energy: 0.000 (S_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: 257 Temperature: 1.250000 Total energy: -2334.119070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.119070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.119070 (E_RNA) where: Base-Base interactions energy: -1647.930 where: short stacking energy: -662.554 Base-Backbone interact. energy: -1.420 local terms energy: -684.769394 where: bonds (distance) C4'-P energy: -98.866 bonds (distance) P-C4' energy: -133.867 flat angles C4'-P-C4' energy: -147.830 flat angles P-C4'-P energy: -100.913 tors. eta vs tors. theta energy: -203.293 Dist. restrs. and SS energy: 0.000 (S_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: 257 Temperature: 1.300000 Total energy: -2266.316324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.316324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.316324 (E_RNA) where: Base-Base interactions energy: -1576.871 where: short stacking energy: -655.670 Base-Backbone interact. energy: -2.262 local terms energy: -687.184206 where: bonds (distance) C4'-P energy: -110.684 bonds (distance) P-C4' energy: -143.773 flat angles C4'-P-C4' energy: -135.237 flat angles P-C4'-P energy: -103.657 tors. eta vs tors. theta energy: -193.833 Dist. restrs. and SS energy: 0.000 (S_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: 257 Temperature: 1.350000 Total energy: -2025.075168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.075168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.075168 (E_RNA) where: Base-Base interactions energy: -1372.820 where: short stacking energy: -574.108 Base-Backbone interact. energy: 0.209 local terms energy: -652.464084 where: bonds (distance) C4'-P energy: -111.968 bonds (distance) P-C4' energy: -145.632 flat angles C4'-P-C4' energy: -145.292 flat angles P-C4'-P energy: -81.894 tors. eta vs tors. theta energy: -167.678 Dist. restrs. and SS energy: 0.000 (S_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: 258 Temperature: 0.900000 Total energy: -2711.420172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.420172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.420172 (E_RNA) where: Base-Base interactions energy: -1930.704 where: short stacking energy: -763.885 Base-Backbone interact. energy: -2.165 local terms energy: -778.550914 where: bonds (distance) C4'-P energy: -129.253 bonds (distance) P-C4' energy: -145.198 flat angles C4'-P-C4' energy: -158.151 flat angles P-C4'-P energy: -113.623 tors. eta vs tors. theta energy: -232.326 Dist. restrs. and SS energy: 0.000 (S_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: 258 Temperature: 0.950000 Total energy: -2688.249475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.249475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.249475 (E_RNA) where: Base-Base interactions energy: -1923.223 where: short stacking energy: -766.695 Base-Backbone interact. energy: -2.764 local terms energy: -762.262445 where: bonds (distance) C4'-P energy: -120.896 bonds (distance) P-C4' energy: -149.295 flat angles C4'-P-C4' energy: -158.655 flat angles P-C4'-P energy: -107.484 tors. eta vs tors. theta energy: -225.933 Dist. restrs. and SS energy: 0.000 (S_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: 258 Temperature: 1.000000 Total energy: -2649.045245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.045245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.045245 (E_RNA) where: Base-Base interactions energy: -1893.369 where: short stacking energy: -734.000 Base-Backbone interact. energy: -1.848 local terms energy: -753.827826 where: bonds (distance) C4'-P energy: -114.718 bonds (distance) P-C4' energy: -149.130 flat angles C4'-P-C4' energy: -154.853 flat angles P-C4'-P energy: -113.569 tors. eta vs tors. theta energy: -221.557 Dist. restrs. and SS energy: 0.000 (S_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: 258 Temperature: 1.050000 Total energy: -2577.182939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.182939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.182939 (E_RNA) where: Base-Base interactions energy: -1840.933 where: short stacking energy: -729.137 Base-Backbone interact. energy: -3.466 local terms energy: -732.783484 where: bonds (distance) C4'-P energy: -111.657 bonds (distance) P-C4' energy: -142.497 flat angles C4'-P-C4' energy: -158.626 flat angles P-C4'-P energy: -101.176 tors. eta vs tors. theta energy: -218.827 Dist. restrs. and SS energy: 0.000 (S_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: 258 Temperature: 1.100000 Total energy: -2493.561335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.561335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.561335 (E_RNA) where: Base-Base interactions energy: -1775.907 where: short stacking energy: -696.409 Base-Backbone interact. energy: -1.864 local terms energy: -715.790386 where: bonds (distance) C4'-P energy: -112.652 bonds (distance) P-C4' energy: -141.346 flat angles C4'-P-C4' energy: -153.329 flat angles P-C4'-P energy: -101.142 tors. eta vs tors. theta energy: -207.321 Dist. restrs. and SS energy: 0.000 (S_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: 258 Temperature: 1.150000 Total energy: -2505.772434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.772434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.772434 (E_RNA) where: Base-Base interactions energy: -1794.202 where: short stacking energy: -727.433 Base-Backbone interact. energy: -1.254 local terms energy: -710.317102 where: bonds (distance) C4'-P energy: -101.352 bonds (distance) P-C4' energy: -134.991 flat angles C4'-P-C4' energy: -153.645 flat angles P-C4'-P energy: -107.242 tors. eta vs tors. theta energy: -213.087 Dist. restrs. and SS energy: 0.000 (S_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: 258 Temperature: 1.200000 Total energy: -2367.543570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.543570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.543570 (E_RNA) where: Base-Base interactions energy: -1678.495 where: short stacking energy: -681.008 Base-Backbone interact. energy: -1.765 local terms energy: -687.283970 where: bonds (distance) C4'-P energy: -107.273 bonds (distance) P-C4' energy: -129.522 flat angles C4'-P-C4' energy: -148.104 flat angles P-C4'-P energy: -96.514 tors. eta vs tors. theta energy: -205.871 Dist. restrs. and SS energy: 0.000 (S_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: 258 Temperature: 1.250000 Total energy: -2339.570645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.570645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.570645 (E_RNA) where: Base-Base interactions energy: -1676.279 where: short stacking energy: -669.568 Base-Backbone interact. energy: 2.315 local terms energy: -665.605840 where: bonds (distance) C4'-P energy: -93.841 bonds (distance) P-C4' energy: -130.636 flat angles C4'-P-C4' energy: -150.457 flat angles P-C4'-P energy: -90.116 tors. eta vs tors. theta energy: -200.557 Dist. restrs. and SS energy: 0.000 (S_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: 258 Temperature: 1.300000 Total energy: -2193.496925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.496925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.496925 (E_RNA) where: Base-Base interactions energy: -1508.413 where: short stacking energy: -622.105 Base-Backbone interact. energy: -1.894 local terms energy: -683.189382 where: bonds (distance) C4'-P energy: -96.916 bonds (distance) P-C4' energy: -158.110 flat angles C4'-P-C4' energy: -147.038 flat angles P-C4'-P energy: -97.956 tors. eta vs tors. theta energy: -183.170 Dist. restrs. and SS energy: 0.000 (S_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: 258 Temperature: 1.350000 Total energy: -2047.458717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.458717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.458717 (E_RNA) where: Base-Base interactions energy: -1443.058 where: short stacking energy: -585.579 Base-Backbone interact. energy: -1.205 local terms energy: -603.195380 where: bonds (distance) C4'-P energy: -80.866 bonds (distance) P-C4' energy: -139.792 flat angles C4'-P-C4' energy: -137.235 flat angles P-C4'-P energy: -83.392 tors. eta vs tors. theta energy: -161.911 Dist. restrs. and SS energy: 0.000 (S_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: 259 Temperature: 0.900000 Total energy: -2693.407950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.407950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.407950 (E_RNA) where: Base-Base interactions energy: -1919.181 where: short stacking energy: -762.796 Base-Backbone interact. energy: -4.401 local terms energy: -769.825982 where: bonds (distance) C4'-P energy: -122.306 bonds (distance) P-C4' energy: -151.081 flat angles C4'-P-C4' energy: -156.126 flat angles P-C4'-P energy: -107.885 tors. eta vs tors. theta energy: -232.427 Dist. restrs. and SS energy: 0.000 (S_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: 259 Temperature: 0.950000 Total energy: -2677.155843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.155843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.155843 (E_RNA) where: Base-Base interactions energy: -1923.143 where: short stacking energy: -765.377 Base-Backbone interact. energy: -3.650 local terms energy: -750.362560 where: bonds (distance) C4'-P energy: -117.418 bonds (distance) P-C4' energy: -144.765 flat angles C4'-P-C4' energy: -157.534 flat angles P-C4'-P energy: -103.372 tors. eta vs tors. theta energy: -227.274 Dist. restrs. and SS energy: 0.000 (S_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: 259 Temperature: 1.000000 Total energy: -2657.015934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.015934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.015934 (E_RNA) where: Base-Base interactions energy: -1906.122 where: short stacking energy: -753.298 Base-Backbone interact. energy: -0.324 local terms energy: -750.570602 where: bonds (distance) C4'-P energy: -112.398 bonds (distance) P-C4' energy: -156.627 flat angles C4'-P-C4' energy: -159.604 flat angles P-C4'-P energy: -107.532 tors. eta vs tors. theta energy: -214.409 Dist. restrs. and SS energy: 0.000 (S_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: 259 Temperature: 1.050000 Total energy: -2575.352001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.352001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.352001 (E_RNA) where: Base-Base interactions energy: -1821.730 where: short stacking energy: -749.258 Base-Backbone interact. energy: -4.556 local terms energy: -749.065588 where: bonds (distance) C4'-P energy: -112.407 bonds (distance) P-C4' energy: -150.087 flat angles C4'-P-C4' energy: -154.033 flat angles P-C4'-P energy: -105.119 tors. eta vs tors. theta energy: -227.420 Dist. restrs. and SS energy: 0.000 (S_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: 259 Temperature: 1.100000 Total energy: -2518.012521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.012521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.012521 (E_RNA) where: Base-Base interactions energy: -1813.494 where: short stacking energy: -738.682 Base-Backbone interact. energy: -1.111 local terms energy: -703.407234 where: bonds (distance) C4'-P energy: -105.203 bonds (distance) P-C4' energy: -133.631 flat angles C4'-P-C4' energy: -148.844 flat angles P-C4'-P energy: -101.011 tors. eta vs tors. theta energy: -214.719 Dist. restrs. and SS energy: 0.000 (S_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: 259 Temperature: 1.150000 Total energy: -2469.892630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.892630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.892630 (E_RNA) where: Base-Base interactions energy: -1785.748 where: short stacking energy: -698.696 Base-Backbone interact. energy: -1.495 local terms energy: -682.649798 where: bonds (distance) C4'-P energy: -111.325 bonds (distance) P-C4' energy: -128.641 flat angles C4'-P-C4' energy: -138.824 flat angles P-C4'-P energy: -100.121 tors. eta vs tors. theta energy: -203.738 Dist. restrs. and SS energy: 0.000 (S_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: 259 Temperature: 1.200000 Total energy: -2366.640295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.640295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.640295 (E_RNA) where: Base-Base interactions energy: -1667.418 where: short stacking energy: -671.182 Base-Backbone interact. energy: -0.779 local terms energy: -698.442834 where: bonds (distance) C4'-P energy: -102.892 bonds (distance) P-C4' energy: -136.834 flat angles C4'-P-C4' energy: -151.658 flat angles P-C4'-P energy: -105.243 tors. eta vs tors. theta energy: -201.816 Dist. restrs. and SS energy: 0.000 (S_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: 259 Temperature: 1.250000 Total energy: -2357.421937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.421937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.421937 (E_RNA) where: Base-Base interactions energy: -1680.522 where: short stacking energy: -680.618 Base-Backbone interact. energy: -2.080 local terms energy: -674.819702 where: bonds (distance) C4'-P energy: -104.618 bonds (distance) P-C4' energy: -132.253 flat angles C4'-P-C4' energy: -143.910 flat angles P-C4'-P energy: -94.718 tors. eta vs tors. theta energy: -199.320 Dist. restrs. and SS energy: 0.000 (S_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: 259 Temperature: 1.300000 Total energy: -2189.101097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.101097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.101097 (E_RNA) where: Base-Base interactions energy: -1521.889 where: short stacking energy: -610.752 Base-Backbone interact. energy: -0.469 local terms energy: -666.742577 where: bonds (distance) C4'-P energy: -107.342 bonds (distance) P-C4' energy: -133.451 flat angles C4'-P-C4' energy: -146.527 flat angles P-C4'-P energy: -97.344 tors. eta vs tors. theta energy: -182.078 Dist. restrs. and SS energy: 0.000 (S_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: 259 Temperature: 1.350000 Total energy: -2037.511264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.511264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.511264 (E_RNA) where: Base-Base interactions energy: -1414.154 where: short stacking energy: -599.866 Base-Backbone interact. energy: 3.675 local terms energy: -627.032453 where: bonds (distance) C4'-P energy: -101.428 bonds (distance) P-C4' energy: -125.336 flat angles C4'-P-C4' energy: -140.426 flat angles P-C4'-P energy: -94.718 tors. eta vs tors. theta energy: -165.125 Dist. restrs. and SS energy: 0.000 (S_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: 260 Temperature: 0.900000 Total energy: -2699.639988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.639988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.639988 (E_RNA) where: Base-Base interactions energy: -1915.955 where: short stacking energy: -747.021 Base-Backbone interact. energy: -4.127 local terms energy: -779.558267 where: bonds (distance) C4'-P energy: -124.747 bonds (distance) P-C4' energy: -156.568 flat angles C4'-P-C4' energy: -157.508 flat angles P-C4'-P energy: -119.476 tors. eta vs tors. theta energy: -221.259 Dist. restrs. and SS energy: 0.000 (S_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: 260 Temperature: 0.950000 Total energy: -2664.385563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.385563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.385563 (E_RNA) where: Base-Base interactions energy: -1904.385 where: short stacking energy: -779.310 Base-Backbone interact. energy: 3.135 local terms energy: -763.135357 where: bonds (distance) C4'-P energy: -120.219 bonds (distance) P-C4' energy: -143.977 flat angles C4'-P-C4' energy: -160.900 flat angles P-C4'-P energy: -104.433 tors. eta vs tors. theta energy: -233.606 Dist. restrs. and SS energy: 0.000 (S_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: 260 Temperature: 1.000000 Total energy: -2639.714266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.714266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.714266 (E_RNA) where: Base-Base interactions energy: -1905.859 where: short stacking energy: -739.069 Base-Backbone interact. energy: 0.209 local terms energy: -734.064696 where: bonds (distance) C4'-P energy: -113.515 bonds (distance) P-C4' energy: -152.132 flat angles C4'-P-C4' energy: -151.303 flat angles P-C4'-P energy: -101.567 tors. eta vs tors. theta energy: -215.547 Dist. restrs. and SS energy: 0.000 (S_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: 260 Temperature: 1.050000 Total energy: -2585.342803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.342803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.342803 (E_RNA) where: Base-Base interactions energy: -1851.083 where: short stacking energy: -759.569 Base-Backbone interact. energy: -0.859 local terms energy: -733.401342 where: bonds (distance) C4'-P energy: -118.572 bonds (distance) P-C4' energy: -135.936 flat angles C4'-P-C4' energy: -151.638 flat angles P-C4'-P energy: -99.864 tors. eta vs tors. theta energy: -227.391 Dist. restrs. and SS energy: 0.000 (S_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: 260 Temperature: 1.100000 Total energy: -2518.058064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.058064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.058064 (E_RNA) where: Base-Base interactions energy: -1804.653 where: short stacking energy: -729.653 Base-Backbone interact. energy: -1.449 local terms energy: -711.956101 where: bonds (distance) C4'-P energy: -111.461 bonds (distance) P-C4' energy: -128.899 flat angles C4'-P-C4' energy: -153.381 flat angles P-C4'-P energy: -106.038 tors. eta vs tors. theta energy: -212.178 Dist. restrs. and SS energy: 0.000 (S_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: 260 Temperature: 1.150000 Total energy: -2458.498038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.498038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.498038 (E_RNA) where: Base-Base interactions energy: -1753.222 where: short stacking energy: -709.398 Base-Backbone interact. energy: -0.901 local terms energy: -704.375304 where: bonds (distance) C4'-P energy: -96.033 bonds (distance) P-C4' energy: -142.446 flat angles C4'-P-C4' energy: -151.016 flat angles P-C4'-P energy: -105.686 tors. eta vs tors. theta energy: -209.195 Dist. restrs. and SS energy: 0.000 (S_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: 260 Temperature: 1.200000 Total energy: -2392.980676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.980676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.980676 (E_RNA) where: Base-Base interactions energy: -1685.463 where: short stacking energy: -700.381 Base-Backbone interact. energy: -2.929 local terms energy: -704.588527 where: bonds (distance) C4'-P energy: -102.594 bonds (distance) P-C4' energy: -148.717 flat angles C4'-P-C4' energy: -142.437 flat angles P-C4'-P energy: -99.075 tors. eta vs tors. theta energy: -211.766 Dist. restrs. and SS energy: 0.000 (S_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: 260 Temperature: 1.250000 Total energy: -2382.804281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.804281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.804281 (E_RNA) where: Base-Base interactions energy: -1678.822 where: short stacking energy: -669.617 Base-Backbone interact. energy: -2.066 local terms energy: -701.917082 where: bonds (distance) C4'-P energy: -111.505 bonds (distance) P-C4' energy: -131.057 flat angles C4'-P-C4' energy: -144.920 flat angles P-C4'-P energy: -110.622 tors. eta vs tors. theta energy: -203.813 Dist. restrs. and SS energy: 0.000 (S_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: 260 Temperature: 1.300000 Total energy: -2075.689292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.689292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.689292 (E_RNA) where: Base-Base interactions energy: -1431.261 where: short stacking energy: -574.266 Base-Backbone interact. energy: -1.914 local terms energy: -642.515205 where: bonds (distance) C4'-P energy: -98.850 bonds (distance) P-C4' energy: -136.995 flat angles C4'-P-C4' energy: -141.077 flat angles P-C4'-P energy: -101.832 tors. eta vs tors. theta energy: -163.760 Dist. restrs. and SS energy: 0.000 (S_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: 260 Temperature: 1.350000 Total energy: -2160.846244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.846244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.846244 (E_RNA) where: Base-Base interactions energy: -1535.852 where: short stacking energy: -608.275 Base-Backbone interact. energy: -1.703 local terms energy: -623.290788 where: bonds (distance) C4'-P energy: -103.458 bonds (distance) P-C4' energy: -118.460 flat angles C4'-P-C4' energy: -145.241 flat angles P-C4'-P energy: -82.258 tors. eta vs tors. theta energy: -173.873 Dist. restrs. and SS energy: 0.000 (S_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: 261 Temperature: 0.900000 Total energy: -2693.457598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.457598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.457598 (E_RNA) where: Base-Base interactions energy: -1908.423 where: short stacking energy: -750.581 Base-Backbone interact. energy: -3.984 local terms energy: -781.050688 where: bonds (distance) C4'-P energy: -128.043 bonds (distance) P-C4' energy: -154.104 flat angles C4'-P-C4' energy: -156.364 flat angles P-C4'-P energy: -120.098 tors. eta vs tors. theta energy: -222.441 Dist. restrs. and SS energy: 0.000 (S_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: 261 Temperature: 0.950000 Total energy: -2697.689123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.689123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.689123 (E_RNA) where: Base-Base interactions energy: -1908.791 where: short stacking energy: -764.332 Base-Backbone interact. energy: -1.461 local terms energy: -787.437200 where: bonds (distance) C4'-P energy: -118.513 bonds (distance) P-C4' energy: -157.776 flat angles C4'-P-C4' energy: -165.907 flat angles P-C4'-P energy: -110.649 tors. eta vs tors. theta energy: -234.593 Dist. restrs. and SS energy: 0.000 (S_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: 261 Temperature: 1.000000 Total energy: -2649.261494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.261494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.261494 (E_RNA) where: Base-Base interactions energy: -1899.447 where: short stacking energy: -746.294 Base-Backbone interact. energy: -0.574 local terms energy: -749.240588 where: bonds (distance) C4'-P energy: -106.427 bonds (distance) P-C4' energy: -153.658 flat angles C4'-P-C4' energy: -163.203 flat angles P-C4'-P energy: -109.776 tors. eta vs tors. theta energy: -216.177 Dist. restrs. and SS energy: 0.000 (S_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: 261 Temperature: 1.050000 Total energy: -2548.549587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.549587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.549587 (E_RNA) where: Base-Base interactions energy: -1806.516 where: short stacking energy: -717.014 Base-Backbone interact. energy: -2.053 local terms energy: -739.980962 where: bonds (distance) C4'-P energy: -115.609 bonds (distance) P-C4' energy: -143.020 flat angles C4'-P-C4' energy: -157.793 flat angles P-C4'-P energy: -110.377 tors. eta vs tors. theta energy: -213.183 Dist. restrs. and SS energy: 0.000 (S_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: 261 Temperature: 1.100000 Total energy: -2523.770313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.770313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.770313 (E_RNA) where: Base-Base interactions energy: -1783.489 where: short stacking energy: -726.115 Base-Backbone interact. energy: -3.416 local terms energy: -736.865464 where: bonds (distance) C4'-P energy: -115.790 bonds (distance) P-C4' energy: -147.296 flat angles C4'-P-C4' energy: -149.721 flat angles P-C4'-P energy: -96.492 tors. eta vs tors. theta energy: -227.567 Dist. restrs. and SS energy: 0.000 (S_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: 261 Temperature: 1.150000 Total energy: -2411.387920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.387920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.387920 (E_RNA) where: Base-Base interactions energy: -1690.125 where: short stacking energy: -688.463 Base-Backbone interact. energy: -1.707 local terms energy: -719.556060 where: bonds (distance) C4'-P energy: -125.705 bonds (distance) P-C4' energy: -147.442 flat angles C4'-P-C4' energy: -144.468 flat angles P-C4'-P energy: -102.110 tors. eta vs tors. theta energy: -199.831 Dist. restrs. and SS energy: 0.000 (S_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: 261 Temperature: 1.200000 Total energy: -2449.060984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.060984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.060984 (E_RNA) where: Base-Base interactions energy: -1743.775 where: short stacking energy: -703.302 Base-Backbone interact. energy: 1.183 local terms energy: -706.469475 where: bonds (distance) C4'-P energy: -103.156 bonds (distance) P-C4' energy: -139.821 flat angles C4'-P-C4' energy: -151.313 flat angles P-C4'-P energy: -100.033 tors. eta vs tors. theta energy: -212.146 Dist. restrs. and SS energy: 0.000 (S_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: 261 Temperature: 1.250000 Total energy: -2358.740530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.740530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.740530 (E_RNA) where: Base-Base interactions energy: -1629.062 where: short stacking energy: -666.236 Base-Backbone interact. energy: -2.596 local terms energy: -727.082198 where: bonds (distance) C4'-P energy: -131.388 bonds (distance) P-C4' energy: -146.852 flat angles C4'-P-C4' energy: -150.108 flat angles P-C4'-P energy: -93.132 tors. eta vs tors. theta energy: -205.602 Dist. restrs. and SS energy: 0.000 (S_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: 261 Temperature: 1.300000 Total energy: -2086.667458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.667458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.667458 (E_RNA) where: Base-Base interactions energy: -1450.011 where: short stacking energy: -598.054 Base-Backbone interact. energy: -0.529 local terms energy: -636.127904 where: bonds (distance) C4'-P energy: -116.401 bonds (distance) P-C4' energy: -128.976 flat angles C4'-P-C4' energy: -125.475 flat angles P-C4'-P energy: -88.106 tors. eta vs tors. theta energy: -177.171 Dist. restrs. and SS energy: 0.000 (S_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: 261 Temperature: 1.350000 Total energy: -2187.243373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.243373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.243373 (E_RNA) where: Base-Base interactions energy: -1537.773 where: short stacking energy: -644.622 Base-Backbone interact. energy: -0.831 local terms energy: -648.638773 where: bonds (distance) C4'-P energy: -105.839 bonds (distance) P-C4' energy: -122.925 flat angles C4'-P-C4' energy: -138.175 flat angles P-C4'-P energy: -91.837 tors. eta vs tors. theta energy: -189.862 Dist. restrs. and SS energy: 0.000 (S_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: 262 Temperature: 0.900000 Total energy: -2732.088502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.088502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.088502 (E_RNA) where: Base-Base interactions energy: -1950.852 where: short stacking energy: -775.182 Base-Backbone interact. energy: -2.466 local terms energy: -778.770379 where: bonds (distance) C4'-P energy: -113.420 bonds (distance) P-C4' energy: -160.482 flat angles C4'-P-C4' energy: -161.349 flat angles P-C4'-P energy: -113.090 tors. eta vs tors. theta energy: -230.430 Dist. restrs. and SS energy: 0.000 (S_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: 262 Temperature: 0.950000 Total energy: -2676.604416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.604416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.604416 (E_RNA) where: Base-Base interactions energy: -1910.148 where: short stacking energy: -743.307 Base-Backbone interact. energy: -3.691 local terms energy: -762.765038 where: bonds (distance) C4'-P energy: -119.882 bonds (distance) P-C4' energy: -149.910 flat angles C4'-P-C4' energy: -153.509 flat angles P-C4'-P energy: -113.252 tors. eta vs tors. theta energy: -226.212 Dist. restrs. and SS energy: 0.000 (S_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: 262 Temperature: 1.000000 Total energy: -2645.296067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.296067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.296067 (E_RNA) where: Base-Base interactions energy: -1879.640 where: short stacking energy: -754.294 Base-Backbone interact. energy: -1.740 local terms energy: -763.916040 where: bonds (distance) C4'-P energy: -106.314 bonds (distance) P-C4' energy: -152.244 flat angles C4'-P-C4' energy: -160.779 flat angles P-C4'-P energy: -119.876 tors. eta vs tors. theta energy: -224.703 Dist. restrs. and SS energy: 0.000 (S_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: -2531.531537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.531537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.531537 (E_RNA) where: Base-Base interactions energy: -1826.164 where: short stacking energy: -728.731 Base-Backbone interact. energy: 0.970 local terms energy: -706.337420 where: bonds (distance) C4'-P energy: -102.897 bonds (distance) P-C4' energy: -132.095 flat angles C4'-P-C4' energy: -160.091 flat angles P-C4'-P energy: -102.671 tors. eta vs tors. theta energy: -208.584 Dist. restrs. and SS energy: 0.000 (S_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: 262 Temperature: 1.100000 Total energy: -2546.595915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.595915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.595915 (E_RNA) where: Base-Base interactions energy: -1791.346 where: short stacking energy: -727.304 Base-Backbone interact. energy: -3.780 local terms energy: -751.469520 where: bonds (distance) C4'-P energy: -124.420 bonds (distance) P-C4' energy: -155.074 flat angles C4'-P-C4' energy: -155.057 flat angles P-C4'-P energy: -102.080 tors. eta vs tors. theta energy: -214.838 Dist. restrs. and SS energy: 0.000 (S_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: 262 Temperature: 1.150000 Total energy: -2459.045075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.045075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.045075 (E_RNA) where: Base-Base interactions energy: -1747.004 where: short stacking energy: -699.682 Base-Backbone interact. energy: -0.167 local terms energy: -711.874571 where: bonds (distance) C4'-P energy: -113.468 bonds (distance) P-C4' energy: -147.213 flat angles C4'-P-C4' energy: -142.037 flat angles P-C4'-P energy: -99.152 tors. eta vs tors. theta energy: -210.004 Dist. restrs. and SS energy: 0.000 (S_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: 262 Temperature: 1.200000 Total energy: -2427.193111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.193111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.193111 (E_RNA) where: Base-Base interactions energy: -1711.358 where: short stacking energy: -691.119 Base-Backbone interact. energy: -1.014 local terms energy: -714.821204 where: bonds (distance) C4'-P energy: -120.238 bonds (distance) P-C4' energy: -142.354 flat angles C4'-P-C4' energy: -151.224 flat angles P-C4'-P energy: -97.368 tors. eta vs tors. theta energy: -203.638 Dist. restrs. and SS energy: 0.000 (S_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: -2343.365101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.365101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.365101 (E_RNA) where: Base-Base interactions energy: -1630.157 where: short stacking energy: -650.933 Base-Backbone interact. energy: 0.630 local terms energy: -713.837702 where: bonds (distance) C4'-P energy: -117.003 bonds (distance) P-C4' energy: -146.456 flat angles C4'-P-C4' energy: -149.626 flat angles P-C4'-P energy: -96.301 tors. eta vs tors. theta energy: -204.452 Dist. restrs. and SS energy: 0.000 (S_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: 262 Temperature: 1.300000 Total energy: -2180.939074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.939074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.939074 (E_RNA) where: Base-Base interactions energy: -1521.452 where: short stacking energy: -616.515 Base-Backbone interact. energy: -1.037 local terms energy: -658.449995 where: bonds (distance) C4'-P energy: -102.307 bonds (distance) P-C4' energy: -134.194 flat angles C4'-P-C4' energy: -139.672 flat angles P-C4'-P energy: -100.099 tors. eta vs tors. theta energy: -182.178 Dist. restrs. and SS energy: 0.000 (S_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: 262 Temperature: 1.350000 Total energy: -2002.668926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.668926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.668926 (E_RNA) where: Base-Base interactions energy: -1374.944 where: short stacking energy: -567.378 Base-Backbone interact. energy: 0.535 local terms energy: -628.260035 where: bonds (distance) C4'-P energy: -108.057 bonds (distance) P-C4' energy: -141.976 flat angles C4'-P-C4' energy: -134.145 flat angles P-C4'-P energy: -83.348 tors. eta vs tors. theta energy: -160.734 Dist. restrs. and SS energy: 0.000 (S_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: 263 Temperature: 0.900000 Total energy: -2710.983815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.983815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.983815 (E_RNA) where: Base-Base interactions energy: -1921.582 where: short stacking energy: -768.807 Base-Backbone interact. energy: -1.818 local terms energy: -787.583007 where: bonds (distance) C4'-P energy: -130.663 bonds (distance) P-C4' energy: -156.668 flat angles C4'-P-C4' energy: -154.892 flat angles P-C4'-P energy: -112.172 tors. eta vs tors. theta energy: -233.189 Dist. restrs. and SS energy: 0.000 (S_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: 263 Temperature: 0.950000 Total energy: -2654.181530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.181530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.181530 (E_RNA) where: Base-Base interactions energy: -1890.854 where: short stacking energy: -756.773 Base-Backbone interact. energy: -1.521 local terms energy: -761.806235 where: bonds (distance) C4'-P energy: -120.722 bonds (distance) P-C4' energy: -153.182 flat angles C4'-P-C4' energy: -157.541 flat angles P-C4'-P energy: -111.369 tors. eta vs tors. theta energy: -218.993 Dist. restrs. and SS energy: 0.000 (S_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: 263 Temperature: 1.000000 Total energy: -2643.785919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.785919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.785919 (E_RNA) where: Base-Base interactions energy: -1887.723 where: short stacking energy: -754.014 Base-Backbone interact. energy: -1.419 local terms energy: -754.643881 where: bonds (distance) C4'-P energy: -115.242 bonds (distance) P-C4' energy: -145.337 flat angles C4'-P-C4' energy: -158.940 flat angles P-C4'-P energy: -115.704 tors. eta vs tors. theta energy: -219.420 Dist. restrs. and SS energy: 0.000 (S_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: 263 Temperature: 1.050000 Total energy: -2545.749431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.749431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.749431 (E_RNA) where: Base-Base interactions energy: -1794.481 where: short stacking energy: -722.518 Base-Backbone interact. energy: -2.071 local terms energy: -749.197680 where: bonds (distance) C4'-P energy: -123.672 bonds (distance) P-C4' energy: -157.067 flat angles C4'-P-C4' energy: -147.149 flat angles P-C4'-P energy: -105.089 tors. eta vs tors. theta energy: -216.221 Dist. restrs. and SS energy: 0.000 (S_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: -2516.832935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.832935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.832935 (E_RNA) where: Base-Base interactions energy: -1768.569 where: short stacking energy: -708.526 Base-Backbone interact. energy: -0.250 local terms energy: -748.013968 where: bonds (distance) C4'-P energy: -121.878 bonds (distance) P-C4' energy: -147.287 flat angles C4'-P-C4' energy: -156.728 flat angles P-C4'-P energy: -114.409 tors. eta vs tors. theta energy: -207.712 Dist. restrs. and SS energy: 0.000 (S_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: 263 Temperature: 1.150000 Total energy: -2459.206449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.206449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.206449 (E_RNA) where: Base-Base interactions energy: -1735.239 where: short stacking energy: -707.212 Base-Backbone interact. energy: -3.619 local terms energy: -720.347939 where: bonds (distance) C4'-P energy: -113.537 bonds (distance) P-C4' energy: -148.643 flat angles C4'-P-C4' energy: -148.349 flat angles P-C4'-P energy: -99.402 tors. eta vs tors. theta energy: -210.417 Dist. restrs. and SS energy: 0.000 (S_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: 263 Temperature: 1.200000 Total energy: -2419.496302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.496302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.496302 (E_RNA) where: Base-Base interactions energy: -1690.992 where: short stacking energy: -689.610 Base-Backbone interact. energy: -1.219 local terms energy: -727.285477 where: bonds (distance) C4'-P energy: -118.341 bonds (distance) P-C4' energy: -139.806 flat angles C4'-P-C4' energy: -159.767 flat angles P-C4'-P energy: -103.716 tors. eta vs tors. theta energy: -205.656 Dist. restrs. and SS energy: 0.000 (S_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: 263 Temperature: 1.250000 Total energy: -2290.383506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.383506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.383506 (E_RNA) where: Base-Base interactions energy: -1620.415 where: short stacking energy: -666.079 Base-Backbone interact. energy: 0.593 local terms energy: -670.561116 where: bonds (distance) C4'-P energy: -103.963 bonds (distance) P-C4' energy: -135.234 flat angles C4'-P-C4' energy: -147.144 flat angles P-C4'-P energy: -101.954 tors. eta vs tors. theta energy: -182.265 Dist. restrs. and SS energy: 0.000 (S_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: 263 Temperature: 1.300000 Total energy: -2240.284211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.284211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.284211 (E_RNA) where: Base-Base interactions energy: -1563.633 where: short stacking energy: -642.599 Base-Backbone interact. energy: -2.629 local terms energy: -674.022842 where: bonds (distance) C4'-P energy: -120.208 bonds (distance) P-C4' energy: -146.826 flat angles C4'-P-C4' energy: -128.247 flat angles P-C4'-P energy: -98.045 tors. eta vs tors. theta energy: -180.696 Dist. restrs. and SS energy: 0.000 (S_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: 263 Temperature: 1.350000 Total energy: -1943.685937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.685937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.685937 (E_RNA) where: Base-Base interactions energy: -1308.494 where: short stacking energy: -553.106 Base-Backbone interact. energy: 2.326 local terms energy: -637.518744 where: bonds (distance) C4'-P energy: -110.728 bonds (distance) P-C4' energy: -134.544 flat angles C4'-P-C4' energy: -134.928 flat angles P-C4'-P energy: -106.453 tors. eta vs tors. theta energy: -150.866 Dist. restrs. and SS energy: 0.000 (S_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: 264 Temperature: 0.900000 Total energy: -2680.508734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.508734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.508734 (E_RNA) where: Base-Base interactions energy: -1919.249 where: short stacking energy: -754.568 Base-Backbone interact. energy: -2.421 local terms energy: -758.839507 where: bonds (distance) C4'-P energy: -124.300 bonds (distance) P-C4' energy: -147.457 flat angles C4'-P-C4' energy: -159.860 flat angles P-C4'-P energy: -105.049 tors. eta vs tors. theta energy: -222.173 Dist. restrs. and SS energy: 0.000 (S_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: 264 Temperature: 0.950000 Total energy: -2692.907507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.907507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.907507 (E_RNA) where: Base-Base interactions energy: -1919.702 where: short stacking energy: -765.543 Base-Backbone interact. energy: -3.215 local terms energy: -769.990495 where: bonds (distance) C4'-P energy: -116.961 bonds (distance) P-C4' energy: -146.656 flat angles C4'-P-C4' energy: -156.005 flat angles P-C4'-P energy: -118.828 tors. eta vs tors. theta energy: -231.540 Dist. restrs. and SS energy: 0.000 (S_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: 264 Temperature: 1.000000 Total energy: -2638.695322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.695322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.695322 (E_RNA) where: Base-Base interactions energy: -1889.815 where: short stacking energy: -735.587 Base-Backbone interact. energy: -3.065 local terms energy: -745.815200 where: bonds (distance) C4'-P energy: -123.826 bonds (distance) P-C4' energy: -140.731 flat angles C4'-P-C4' energy: -149.731 flat angles P-C4'-P energy: -110.780 tors. eta vs tors. theta energy: -220.747 Dist. restrs. and SS energy: 0.000 (S_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: 264 Temperature: 1.050000 Total energy: -2565.206603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.206603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.206603 (E_RNA) where: Base-Base interactions energy: -1813.640 where: short stacking energy: -724.426 Base-Backbone interact. energy: -1.492 local terms energy: -750.074045 where: bonds (distance) C4'-P energy: -121.987 bonds (distance) P-C4' energy: -154.351 flat angles C4'-P-C4' energy: -148.272 flat angles P-C4'-P energy: -107.594 tors. eta vs tors. theta energy: -217.870 Dist. restrs. and SS energy: 0.000 (S_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: 264 Temperature: 1.100000 Total energy: -2519.159343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.159343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.159343 (E_RNA) where: Base-Base interactions energy: -1790.775 where: short stacking energy: -721.050 Base-Backbone interact. energy: -1.464 local terms energy: -726.920174 where: bonds (distance) C4'-P energy: -117.636 bonds (distance) P-C4' energy: -148.486 flat angles C4'-P-C4' energy: -151.666 flat angles P-C4'-P energy: -95.301 tors. eta vs tors. theta energy: -213.831 Dist. restrs. and SS energy: 0.000 (S_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: 264 Temperature: 1.150000 Total energy: -2487.928534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.928534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.928534 (E_RNA) where: Base-Base interactions energy: -1774.536 where: short stacking energy: -702.713 Base-Backbone interact. energy: -1.472 local terms energy: -711.920711 where: bonds (distance) C4'-P energy: -110.132 bonds (distance) P-C4' energy: -143.402 flat angles C4'-P-C4' energy: -148.379 flat angles P-C4'-P energy: -99.596 tors. eta vs tors. theta energy: -210.412 Dist. restrs. and SS energy: 0.000 (S_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: 264 Temperature: 1.200000 Total energy: -2426.615434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.615434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.615434 (E_RNA) where: Base-Base interactions energy: -1739.369 where: short stacking energy: -683.151 Base-Backbone interact. energy: -0.735 local terms energy: -686.511577 where: bonds (distance) C4'-P energy: -111.429 bonds (distance) P-C4' energy: -146.982 flat angles C4'-P-C4' energy: -146.304 flat angles P-C4'-P energy: -81.827 tors. eta vs tors. theta energy: -199.969 Dist. restrs. and SS energy: 0.000 (S_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: 264 Temperature: 1.250000 Total energy: -2304.280068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.280068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.280068 (E_RNA) where: Base-Base interactions energy: -1640.618 where: short stacking energy: -665.830 Base-Backbone interact. energy: -1.843 local terms energy: -661.819532 where: bonds (distance) C4'-P energy: -110.726 bonds (distance) P-C4' energy: -128.053 flat angles C4'-P-C4' energy: -144.338 flat angles P-C4'-P energy: -94.899 tors. eta vs tors. theta energy: -183.804 Dist. restrs. and SS energy: 0.000 (S_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: 264 Temperature: 1.300000 Total energy: -2189.721029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.721029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.721029 (E_RNA) where: Base-Base interactions energy: -1521.938 where: short stacking energy: -616.326 Base-Backbone interact. energy: -2.827 local terms energy: -664.955961 where: bonds (distance) C4'-P energy: -102.182 bonds (distance) P-C4' energy: -145.233 flat angles C4'-P-C4' energy: -140.575 flat angles P-C4'-P energy: -92.084 tors. eta vs tors. theta energy: -184.881 Dist. restrs. and SS energy: 0.000 (S_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: 264 Temperature: 1.350000 Total energy: -1936.626048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.626048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.626048 (E_RNA) where: Base-Base interactions energy: -1305.175 where: short stacking energy: -543.950 Base-Backbone interact. energy: -1.666 local terms energy: -629.785587 where: bonds (distance) C4'-P energy: -110.473 bonds (distance) P-C4' energy: -128.216 flat angles C4'-P-C4' energy: -142.142 flat angles P-C4'-P energy: -90.636 tors. eta vs tors. theta energy: -158.318 Dist. restrs. and SS energy: 0.000 (S_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: 265 Temperature: 0.900000 Total energy: -2698.487510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.487510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.487510 (E_RNA) where: Base-Base interactions energy: -1930.987 where: short stacking energy: -770.586 Base-Backbone interact. energy: -2.207 local terms energy: -765.293135 where: bonds (distance) C4'-P energy: -123.405 bonds (distance) P-C4' energy: -146.283 flat angles C4'-P-C4' energy: -163.546 flat angles P-C4'-P energy: -106.525 tors. eta vs tors. theta energy: -225.535 Dist. restrs. and SS energy: 0.000 (S_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: -2689.220455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.220455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.220455 (E_RNA) where: Base-Base interactions energy: -1913.835 where: short stacking energy: -770.739 Base-Backbone interact. energy: 0.003 local terms energy: -775.388731 where: bonds (distance) C4'-P energy: -112.242 bonds (distance) P-C4' energy: -152.917 flat angles C4'-P-C4' energy: -161.804 flat angles P-C4'-P energy: -119.701 tors. eta vs tors. theta energy: -228.726 Dist. restrs. and SS energy: 0.000 (S_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: -2609.622055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.622055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.622055 (E_RNA) where: Base-Base interactions energy: -1861.017 where: short stacking energy: -748.304 Base-Backbone interact. energy: 0.708 local terms energy: -749.313003 where: bonds (distance) C4'-P energy: -111.783 bonds (distance) P-C4' energy: -151.628 flat angles C4'-P-C4' energy: -153.222 flat angles P-C4'-P energy: -105.863 tors. eta vs tors. theta energy: -226.816 Dist. restrs. and SS energy: 0.000 (S_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: 265 Temperature: 1.050000 Total energy: -2573.793285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.793285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.793285 (E_RNA) where: Base-Base interactions energy: -1833.158 where: short stacking energy: -749.489 Base-Backbone interact. energy: -2.584 local terms energy: -738.051270 where: bonds (distance) C4'-P energy: -121.090 bonds (distance) P-C4' energy: -142.669 flat angles C4'-P-C4' energy: -150.901 flat angles P-C4'-P energy: -103.106 tors. eta vs tors. theta energy: -220.286 Dist. restrs. and SS energy: 0.000 (S_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: 265 Temperature: 1.100000 Total energy: -2499.538951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.538951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.538951 (E_RNA) where: Base-Base interactions energy: -1761.645 where: short stacking energy: -714.465 Base-Backbone interact. energy: -0.400 local terms energy: -737.494002 where: bonds (distance) C4'-P energy: -130.174 bonds (distance) P-C4' energy: -152.719 flat angles C4'-P-C4' energy: -147.204 flat angles P-C4'-P energy: -97.996 tors. eta vs tors. theta energy: -209.402 Dist. restrs. and SS energy: 0.000 (S_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: 265 Temperature: 1.150000 Total energy: -2423.961040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.961040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.961040 (E_RNA) where: Base-Base interactions energy: -1745.920 where: short stacking energy: -708.958 Base-Backbone interact. energy: -2.283 local terms energy: -675.758120 where: bonds (distance) C4'-P energy: -92.186 bonds (distance) P-C4' energy: -127.742 flat angles C4'-P-C4' energy: -149.074 flat angles P-C4'-P energy: -102.529 tors. eta vs tors. theta energy: -204.226 Dist. restrs. and SS energy: 0.000 (S_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: 265 Temperature: 1.200000 Total energy: -2424.164433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.164433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.164433 (E_RNA) where: Base-Base interactions energy: -1717.214 where: short stacking energy: -690.934 Base-Backbone interact. energy: -3.115 local terms energy: -703.835130 where: bonds (distance) C4'-P energy: -109.185 bonds (distance) P-C4' energy: -127.480 flat angles C4'-P-C4' energy: -153.118 flat angles P-C4'-P energy: -103.030 tors. eta vs tors. theta energy: -211.023 Dist. restrs. and SS energy: 0.000 (S_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: 265 Temperature: 1.250000 Total energy: -2310.662280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.662280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.662280 (E_RNA) where: Base-Base interactions energy: -1616.541 where: short stacking energy: -641.289 Base-Backbone interact. energy: -1.956 local terms energy: -692.165911 where: bonds (distance) C4'-P energy: -105.189 bonds (distance) P-C4' energy: -143.840 flat angles C4'-P-C4' energy: -144.419 flat angles P-C4'-P energy: -103.283 tors. eta vs tors. theta energy: -195.435 Dist. restrs. and SS energy: 0.000 (S_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: -2214.044356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.044356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.044356 (E_RNA) where: Base-Base interactions energy: -1539.426 where: short stacking energy: -638.274 Base-Backbone interact. energy: -0.670 local terms energy: -673.948931 where: bonds (distance) C4'-P energy: -103.670 bonds (distance) P-C4' energy: -135.806 flat angles C4'-P-C4' energy: -140.772 flat angles P-C4'-P energy: -103.742 tors. eta vs tors. theta energy: -189.960 Dist. restrs. and SS energy: 0.000 (S_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: 265 Temperature: 1.350000 Total energy: -1988.748368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.748368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.748368 (E_RNA) where: Base-Base interactions energy: -1351.686 where: short stacking energy: -569.605 Base-Backbone interact. energy: -2.063 local terms energy: -634.998886 where: bonds (distance) C4'-P energy: -105.449 bonds (distance) P-C4' energy: -135.745 flat angles C4'-P-C4' energy: -140.613 flat angles P-C4'-P energy: -96.069 tors. eta vs tors. theta energy: -157.122 Dist. restrs. and SS energy: 0.000 (S_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: -2708.813511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.813511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.813511 (E_RNA) where: Base-Base interactions energy: -1926.972 where: short stacking energy: -762.850 Base-Backbone interact. energy: -3.513 local terms energy: -778.328013 where: bonds (distance) C4'-P energy: -111.130 bonds (distance) P-C4' energy: -157.452 flat angles C4'-P-C4' energy: -164.809 flat angles P-C4'-P energy: -115.046 tors. eta vs tors. theta energy: -229.892 Dist. restrs. and SS energy: 0.000 (S_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: 266 Temperature: 0.950000 Total energy: -2659.879009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.879009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.879009 (E_RNA) where: Base-Base interactions energy: -1899.840 where: short stacking energy: -750.602 Base-Backbone interact. energy: 1.034 local terms energy: -761.072145 where: bonds (distance) C4'-P energy: -118.696 bonds (distance) P-C4' energy: -152.845 flat angles C4'-P-C4' energy: -158.375 flat angles P-C4'-P energy: -112.297 tors. eta vs tors. theta energy: -218.859 Dist. restrs. and SS energy: 0.000 (S_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: 266 Temperature: 1.000000 Total energy: -2651.210873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.210873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.210873 (E_RNA) where: Base-Base interactions energy: -1921.527 where: short stacking energy: -750.674 Base-Backbone interact. energy: -2.077 local terms energy: -727.606439 where: bonds (distance) C4'-P energy: -107.585 bonds (distance) P-C4' energy: -146.602 flat angles C4'-P-C4' energy: -158.342 flat angles P-C4'-P energy: -98.588 tors. eta vs tors. theta energy: -216.489 Dist. restrs. and SS energy: 0.000 (S_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: 266 Temperature: 1.050000 Total energy: -2568.430202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.430202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.430202 (E_RNA) where: Base-Base interactions energy: -1814.401 where: short stacking energy: -745.271 Base-Backbone interact. energy: -2.872 local terms energy: -751.157152 where: bonds (distance) C4'-P energy: -108.014 bonds (distance) P-C4' energy: -152.844 flat angles C4'-P-C4' energy: -160.002 flat angles P-C4'-P energy: -109.456 tors. eta vs tors. theta energy: -220.841 Dist. restrs. and SS energy: 0.000 (S_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: 266 Temperature: 1.100000 Total energy: -2520.462715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.462715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.462715 (E_RNA) where: Base-Base interactions energy: -1799.573 where: short stacking energy: -725.442 Base-Backbone interact. energy: -1.686 local terms energy: -719.203410 where: bonds (distance) C4'-P energy: -103.857 bonds (distance) P-C4' energy: -141.349 flat angles C4'-P-C4' energy: -151.980 flat angles P-C4'-P energy: -106.250 tors. eta vs tors. theta energy: -215.767 Dist. restrs. and SS energy: 0.000 (S_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: 266 Temperature: 1.150000 Total energy: -2463.149652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.149652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.149652 (E_RNA) where: Base-Base interactions energy: -1765.550 where: short stacking energy: -717.515 Base-Backbone interact. energy: 3.068 local terms energy: -700.667355 where: bonds (distance) C4'-P energy: -109.088 bonds (distance) P-C4' energy: -130.439 flat angles C4'-P-C4' energy: -146.720 flat angles P-C4'-P energy: -104.789 tors. eta vs tors. theta energy: -209.631 Dist. restrs. and SS energy: 0.000 (S_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: 266 Temperature: 1.200000 Total energy: -2430.768484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.768484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.768484 (E_RNA) where: Base-Base interactions energy: -1719.834 where: short stacking energy: -692.653 Base-Backbone interact. energy: -0.505 local terms energy: -710.430177 where: bonds (distance) C4'-P energy: -104.231 bonds (distance) P-C4' energy: -140.773 flat angles C4'-P-C4' energy: -153.719 flat angles P-C4'-P energy: -106.776 tors. eta vs tors. theta energy: -204.931 Dist. restrs. and SS energy: 0.000 (S_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: 266 Temperature: 1.250000 Total energy: -2324.290384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.290384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.290384 (E_RNA) where: Base-Base interactions energy: -1630.622 where: short stacking energy: -637.011 Base-Backbone interact. energy: -1.052 local terms energy: -692.616582 where: bonds (distance) C4'-P energy: -112.373 bonds (distance) P-C4' energy: -158.198 flat angles C4'-P-C4' energy: -139.255 flat angles P-C4'-P energy: -97.738 tors. eta vs tors. theta energy: -185.053 Dist. restrs. and SS energy: 0.000 (S_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: 266 Temperature: 1.300000 Total energy: -2195.896714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.896714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.896714 (E_RNA) where: Base-Base interactions energy: -1524.731 where: short stacking energy: -632.960 Base-Backbone interact. energy: -0.947 local terms energy: -670.218415 where: bonds (distance) C4'-P energy: -91.832 bonds (distance) P-C4' energy: -142.921 flat angles C4'-P-C4' energy: -148.111 flat angles P-C4'-P energy: -106.060 tors. eta vs tors. theta energy: -181.294 Dist. restrs. and SS energy: 0.000 (S_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: 266 Temperature: 1.350000 Total energy: -2002.272203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.272203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.272203 (E_RNA) where: Base-Base interactions energy: -1356.944 where: short stacking energy: -541.401 Base-Backbone interact. energy: -2.755 local terms energy: -642.573628 where: bonds (distance) C4'-P energy: -117.101 bonds (distance) P-C4' energy: -139.410 flat angles C4'-P-C4' energy: -138.789 flat angles P-C4'-P energy: -86.524 tors. eta vs tors. theta energy: -160.749 Dist. restrs. and SS energy: 0.000 (S_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: -2714.784681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.784681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.784681 (E_RNA) where: Base-Base interactions energy: -1921.738 where: short stacking energy: -776.392 Base-Backbone interact. energy: -4.172 local terms energy: -788.874838 where: bonds (distance) C4'-P energy: -123.594 bonds (distance) P-C4' energy: -154.781 flat angles C4'-P-C4' energy: -158.939 flat angles P-C4'-P energy: -118.822 tors. eta vs tors. theta energy: -232.739 Dist. restrs. and SS energy: 0.000 (S_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: -2670.763393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.763393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.763393 (E_RNA) where: Base-Base interactions energy: -1909.747 where: short stacking energy: -751.355 Base-Backbone interact. energy: -3.235 local terms energy: -757.781532 where: bonds (distance) C4'-P energy: -111.450 bonds (distance) P-C4' energy: -161.828 flat angles C4'-P-C4' energy: -161.604 flat angles P-C4'-P energy: -101.804 tors. eta vs tors. theta energy: -221.096 Dist. restrs. and SS energy: 0.000 (S_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: 267 Temperature: 1.000000 Total energy: -2654.940366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.940366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.940366 (E_RNA) where: Base-Base interactions energy: -1891.102 where: short stacking energy: -746.988 Base-Backbone interact. energy: -0.963 local terms energy: -762.875619 where: bonds (distance) C4'-P energy: -114.793 bonds (distance) P-C4' energy: -149.547 flat angles C4'-P-C4' energy: -163.370 flat angles P-C4'-P energy: -112.002 tors. eta vs tors. theta energy: -223.163 Dist. restrs. and SS energy: 0.000 (S_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: 267 Temperature: 1.050000 Total energy: -2543.831769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.831769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.831769 (E_RNA) where: Base-Base interactions energy: -1776.643 where: short stacking energy: -721.487 Base-Backbone interact. energy: -3.400 local terms energy: -763.789177 where: bonds (distance) C4'-P energy: -118.816 bonds (distance) P-C4' energy: -150.672 flat angles C4'-P-C4' energy: -162.540 flat angles P-C4'-P energy: -115.288 tors. eta vs tors. theta energy: -216.474 Dist. restrs. and SS energy: 0.000 (S_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: 267 Temperature: 1.100000 Total energy: -2562.789471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.789471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.789471 (E_RNA) where: Base-Base interactions energy: -1802.916 where: short stacking energy: -716.678 Base-Backbone interact. energy: -3.945 local terms energy: -755.928826 where: bonds (distance) C4'-P energy: -111.945 bonds (distance) P-C4' energy: -156.398 flat angles C4'-P-C4' energy: -158.635 flat angles P-C4'-P energy: -106.264 tors. eta vs tors. theta energy: -222.686 Dist. restrs. and SS energy: 0.000 (S_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: 267 Temperature: 1.150000 Total energy: -2438.990305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.990305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.990305 (E_RNA) where: Base-Base interactions energy: -1721.592 where: short stacking energy: -699.335 Base-Backbone interact. energy: -0.990 local terms energy: -716.408461 where: bonds (distance) C4'-P energy: -105.613 bonds (distance) P-C4' energy: -143.128 flat angles C4'-P-C4' energy: -147.056 flat angles P-C4'-P energy: -109.225 tors. eta vs tors. theta energy: -211.387 Dist. restrs. and SS energy: 0.000 (S_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: -2404.918212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.918212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.918212 (E_RNA) where: Base-Base interactions energy: -1706.706 where: short stacking energy: -697.643 Base-Backbone interact. energy: -2.380 local terms energy: -695.831987 where: bonds (distance) C4'-P energy: -95.788 bonds (distance) P-C4' energy: -150.374 flat angles C4'-P-C4' energy: -148.650 flat angles P-C4'-P energy: -90.488 tors. eta vs tors. theta energy: -210.532 Dist. restrs. and SS energy: 0.000 (S_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: -2359.387285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.387285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.387285 (E_RNA) where: Base-Base interactions energy: -1681.569 where: short stacking energy: -668.610 Base-Backbone interact. energy: -1.880 local terms energy: -675.939027 where: bonds (distance) C4'-P energy: -97.712 bonds (distance) P-C4' energy: -143.940 flat angles C4'-P-C4' energy: -150.238 flat angles P-C4'-P energy: -82.479 tors. eta vs tors. theta energy: -201.570 Dist. restrs. and SS energy: 0.000 (S_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: 267 Temperature: 1.300000 Total energy: -2200.181005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.181005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.181005 (E_RNA) where: Base-Base interactions energy: -1547.931 where: short stacking energy: -631.373 Base-Backbone interact. energy: -0.911 local terms energy: -651.339189 where: bonds (distance) C4'-P energy: -98.871 bonds (distance) P-C4' energy: -129.606 flat angles C4'-P-C4' energy: -143.492 flat angles P-C4'-P energy: -102.545 tors. eta vs tors. theta energy: -176.825 Dist. restrs. and SS energy: 0.000 (S_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: 267 Temperature: 1.350000 Total energy: -1988.798532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.798532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.798532 (E_RNA) where: Base-Base interactions energy: -1369.125 where: short stacking energy: -559.412 Base-Backbone interact. energy: -0.114 local terms energy: -619.558796 where: bonds (distance) C4'-P energy: -111.287 bonds (distance) P-C4' energy: -118.759 flat angles C4'-P-C4' energy: -132.624 flat angles P-C4'-P energy: -87.438 tors. eta vs tors. theta energy: -169.452 Dist. restrs. and SS energy: 0.000 (S_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: 268 Temperature: 0.900000 Total energy: -2710.626581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.626581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.626581 (E_RNA) where: Base-Base interactions energy: -1910.996 where: short stacking energy: -764.944 Base-Backbone interact. energy: -3.453 local terms energy: -796.177874 where: bonds (distance) C4'-P energy: -118.573 bonds (distance) P-C4' energy: -160.627 flat angles C4'-P-C4' energy: -164.874 flat angles P-C4'-P energy: -112.116 tors. eta vs tors. theta energy: -239.987 Dist. restrs. and SS energy: 0.000 (S_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: 268 Temperature: 0.950000 Total energy: -2671.346117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.346117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.346117 (E_RNA) where: Base-Base interactions energy: -1905.118 where: short stacking energy: -757.921 Base-Backbone interact. energy: 0.662 local terms energy: -766.889988 where: bonds (distance) C4'-P energy: -127.334 bonds (distance) P-C4' energy: -149.726 flat angles C4'-P-C4' energy: -151.946 flat angles P-C4'-P energy: -108.386 tors. eta vs tors. theta energy: -229.497 Dist. restrs. and SS energy: 0.000 (S_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: 268 Temperature: 1.000000 Total energy: -2642.381383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.381383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.381383 (E_RNA) where: Base-Base interactions energy: -1868.720 where: short stacking energy: -741.913 Base-Backbone interact. energy: -1.702 local terms energy: -771.959524 where: bonds (distance) C4'-P energy: -121.502 bonds (distance) P-C4' energy: -154.649 flat angles C4'-P-C4' energy: -162.624 flat angles P-C4'-P energy: -110.199 tors. eta vs tors. theta energy: -222.986 Dist. restrs. and SS energy: 0.000 (S_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: 268 Temperature: 1.050000 Total energy: -2525.740331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.740331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.740331 (E_RNA) where: Base-Base interactions energy: -1798.186 where: short stacking energy: -710.911 Base-Backbone interact. energy: -2.012 local terms energy: -725.542297 where: bonds (distance) C4'-P energy: -120.177 bonds (distance) P-C4' energy: -146.493 flat angles C4'-P-C4' energy: -150.724 flat angles P-C4'-P energy: -102.010 tors. eta vs tors. theta energy: -206.138 Dist. restrs. and SS energy: 0.000 (S_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: -2547.129733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.129733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.129733 (E_RNA) where: Base-Base interactions energy: -1797.819 where: short stacking energy: -722.184 Base-Backbone interact. energy: -0.380 local terms energy: -748.931272 where: bonds (distance) C4'-P energy: -107.818 bonds (distance) P-C4' energy: -153.937 flat angles C4'-P-C4' energy: -157.547 flat angles P-C4'-P energy: -102.693 tors. eta vs tors. theta energy: -226.936 Dist. restrs. and SS energy: 0.000 (S_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: 268 Temperature: 1.150000 Total energy: -2431.282469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.282469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.282469 (E_RNA) where: Base-Base interactions energy: -1726.290 where: short stacking energy: -707.154 Base-Backbone interact. energy: 0.880 local terms energy: -705.872676 where: bonds (distance) C4'-P energy: -101.212 bonds (distance) P-C4' energy: -146.509 flat angles C4'-P-C4' energy: -145.356 flat angles P-C4'-P energy: -107.772 tors. eta vs tors. theta energy: -205.023 Dist. restrs. and SS energy: 0.000 (S_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: -2380.752224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.752224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.752224 (E_RNA) where: Base-Base interactions energy: -1688.939 where: short stacking energy: -692.015 Base-Backbone interact. energy: -0.574 local terms energy: -691.239353 where: bonds (distance) C4'-P energy: -115.114 bonds (distance) P-C4' energy: -126.990 flat angles C4'-P-C4' energy: -142.977 flat angles P-C4'-P energy: -95.476 tors. eta vs tors. theta energy: -210.682 Dist. restrs. and SS energy: 0.000 (S_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: -2376.925010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.925010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.925010 (E_RNA) where: Base-Base interactions energy: -1688.706 where: short stacking energy: -692.299 Base-Backbone interact. energy: -2.124 local terms energy: -686.094939 where: bonds (distance) C4'-P energy: -114.609 bonds (distance) P-C4' energy: -132.555 flat angles C4'-P-C4' energy: -140.873 flat angles P-C4'-P energy: -91.680 tors. eta vs tors. theta energy: -206.378 Dist. restrs. and SS energy: 0.000 (S_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: -2282.751474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.751474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.751474 (E_RNA) where: Base-Base interactions energy: -1621.931 where: short stacking energy: -670.854 Base-Backbone interact. energy: -0.784 local terms energy: -660.036526 where: bonds (distance) C4'-P energy: -97.986 bonds (distance) P-C4' energy: -120.365 flat angles C4'-P-C4' energy: -156.324 flat angles P-C4'-P energy: -92.226 tors. eta vs tors. theta energy: -193.136 Dist. restrs. and SS energy: 0.000 (S_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: 268 Temperature: 1.350000 Total energy: -1987.420382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.420382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.420382 (E_RNA) where: Base-Base interactions energy: -1357.873 where: short stacking energy: -548.493 Base-Backbone interact. energy: -1.533 local terms energy: -628.014539 where: bonds (distance) C4'-P energy: -110.895 bonds (distance) P-C4' energy: -123.117 flat angles C4'-P-C4' energy: -146.086 flat angles P-C4'-P energy: -94.272 tors. eta vs tors. theta energy: -153.644 Dist. restrs. and SS energy: 0.000 (S_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: 269 Temperature: 0.900000 Total energy: -2698.918574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.918574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.918574 (E_RNA) where: Base-Base interactions energy: -1909.597 where: short stacking energy: -761.296 Base-Backbone interact. energy: -0.502 local terms energy: -788.819824 where: bonds (distance) C4'-P energy: -129.599 bonds (distance) P-C4' energy: -160.280 flat angles C4'-P-C4' energy: -162.358 flat angles P-C4'-P energy: -107.922 tors. eta vs tors. theta energy: -228.661 Dist. restrs. and SS energy: 0.000 (S_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: 269 Temperature: 0.950000 Total energy: -2667.613433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.613433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.613433 (E_RNA) where: Base-Base interactions energy: -1913.175 where: short stacking energy: -749.552 Base-Backbone interact. energy: -1.526 local terms energy: -752.912048 where: bonds (distance) C4'-P energy: -116.993 bonds (distance) P-C4' energy: -158.150 flat angles C4'-P-C4' energy: -156.504 flat angles P-C4'-P energy: -100.227 tors. eta vs tors. theta energy: -221.039 Dist. restrs. and SS energy: 0.000 (S_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: 269 Temperature: 1.000000 Total energy: -2627.475499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.475499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.475499 (E_RNA) where: Base-Base interactions energy: -1876.815 where: short stacking energy: -756.263 Base-Backbone interact. energy: -2.749 local terms energy: -747.911162 where: bonds (distance) C4'-P energy: -114.873 bonds (distance) P-C4' energy: -146.263 flat angles C4'-P-C4' energy: -154.674 flat angles P-C4'-P energy: -102.869 tors. eta vs tors. theta energy: -229.232 Dist. restrs. and SS energy: 0.000 (S_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: -2569.728909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.728909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.728909 (E_RNA) where: Base-Base interactions energy: -1814.802 where: short stacking energy: -735.215 Base-Backbone interact. energy: -0.204 local terms energy: -754.723331 where: bonds (distance) C4'-P energy: -108.466 bonds (distance) P-C4' energy: -146.609 flat angles C4'-P-C4' energy: -158.950 flat angles P-C4'-P energy: -117.248 tors. eta vs tors. theta energy: -223.450 Dist. restrs. and SS energy: 0.000 (S_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: 269 Temperature: 1.100000 Total energy: -2490.052556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.052556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.052556 (E_RNA) where: Base-Base interactions energy: -1774.287 where: short stacking energy: -719.590 Base-Backbone interact. energy: 0.870 local terms energy: -716.635223 where: bonds (distance) C4'-P energy: -114.480 bonds (distance) P-C4' energy: -147.372 flat angles C4'-P-C4' energy: -151.854 flat angles P-C4'-P energy: -93.397 tors. eta vs tors. theta energy: -209.533 Dist. restrs. and SS energy: 0.000 (S_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: -2437.215323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.215323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.215323 (E_RNA) where: Base-Base interactions energy: -1710.398 where: short stacking energy: -703.820 Base-Backbone interact. energy: -1.288 local terms energy: -725.528982 where: bonds (distance) C4'-P energy: -118.003 bonds (distance) P-C4' energy: -147.104 flat angles C4'-P-C4' energy: -154.046 flat angles P-C4'-P energy: -98.444 tors. eta vs tors. theta energy: -207.932 Dist. restrs. and SS energy: 0.000 (S_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: 269 Temperature: 1.200000 Total energy: -2387.551152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.551152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.551152 (E_RNA) where: Base-Base interactions energy: -1691.880 where: short stacking energy: -666.969 Base-Backbone interact. energy: -2.248 local terms energy: -693.422400 where: bonds (distance) C4'-P energy: -108.855 bonds (distance) P-C4' energy: -146.065 flat angles C4'-P-C4' energy: -146.932 flat angles P-C4'-P energy: -99.197 tors. eta vs tors. theta energy: -192.373 Dist. restrs. and SS energy: 0.000 (S_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: 269 Temperature: 1.250000 Total energy: -2399.282155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.282155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.282155 (E_RNA) where: Base-Base interactions energy: -1729.681 where: short stacking energy: -693.989 Base-Backbone interact. energy: -2.255 local terms energy: -667.346197 where: bonds (distance) C4'-P energy: -95.311 bonds (distance) P-C4' energy: -124.598 flat angles C4'-P-C4' energy: -142.401 flat angles P-C4'-P energy: -94.947 tors. eta vs tors. theta energy: -210.090 Dist. restrs. and SS energy: 0.000 (S_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: 269 Temperature: 1.300000 Total energy: -2161.518655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.518655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.518655 (E_RNA) where: Base-Base interactions energy: -1504.634 where: short stacking energy: -617.021 Base-Backbone interact. energy: -2.208 local terms energy: -654.676764 where: bonds (distance) C4'-P energy: -99.947 bonds (distance) P-C4' energy: -147.535 flat angles C4'-P-C4' energy: -145.734 flat angles P-C4'-P energy: -91.359 tors. eta vs tors. theta energy: -170.102 Dist. restrs. and SS energy: 0.000 (S_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: 269 Temperature: 1.350000 Total energy: -1998.049694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.049694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.049694 (E_RNA) where: Base-Base interactions energy: -1386.711 where: short stacking energy: -569.002 Base-Backbone interact. energy: 1.084 local terms energy: -612.423025 where: bonds (distance) C4'-P energy: -97.755 bonds (distance) P-C4' energy: -141.477 flat angles C4'-P-C4' energy: -130.344 flat angles P-C4'-P energy: -92.320 tors. eta vs tors. theta energy: -150.528 Dist. restrs. and SS energy: 0.000 (S_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: 270 Temperature: 0.900000 Total energy: -2705.449432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.449432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.449432 (E_RNA) where: Base-Base interactions energy: -1910.705 where: short stacking energy: -768.556 Base-Backbone interact. energy: -3.381 local terms energy: -791.363074 where: bonds (distance) C4'-P energy: -124.989 bonds (distance) P-C4' energy: -162.729 flat angles C4'-P-C4' energy: -158.112 flat angles P-C4'-P energy: -114.797 tors. eta vs tors. theta energy: -230.737 Dist. restrs. and SS energy: 0.000 (S_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: 270 Temperature: 0.950000 Total energy: -2676.413013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.413013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.413013 (E_RNA) where: Base-Base interactions energy: -1914.036 where: short stacking energy: -748.320 Base-Backbone interact. energy: -1.565 local terms energy: -760.811521 where: bonds (distance) C4'-P energy: -126.539 bonds (distance) P-C4' energy: -153.115 flat angles C4'-P-C4' energy: -145.902 flat angles P-C4'-P energy: -118.167 tors. eta vs tors. theta energy: -217.089 Dist. restrs. and SS energy: 0.000 (S_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: -2603.300863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.300863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.300863 (E_RNA) where: Base-Base interactions energy: -1844.736 where: short stacking energy: -756.470 Base-Backbone interact. energy: -1.674 local terms energy: -756.890732 where: bonds (distance) C4'-P energy: -116.565 bonds (distance) P-C4' energy: -136.503 flat angles C4'-P-C4' energy: -162.494 flat angles P-C4'-P energy: -111.829 tors. eta vs tors. theta energy: -229.500 Dist. restrs. and SS energy: 0.000 (S_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: 270 Temperature: 1.050000 Total energy: -2582.581583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.581583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.581583 (E_RNA) where: Base-Base interactions energy: -1841.104 where: short stacking energy: -727.896 Base-Backbone interact. energy: -2.143 local terms energy: -739.334508 where: bonds (distance) C4'-P energy: -119.976 bonds (distance) P-C4' energy: -147.002 flat angles C4'-P-C4' energy: -153.236 flat angles P-C4'-P energy: -102.554 tors. eta vs tors. theta energy: -216.567 Dist. restrs. and SS energy: 0.000 (S_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: 270 Temperature: 1.100000 Total energy: -2497.554120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.554120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.554120 (E_RNA) where: Base-Base interactions energy: -1777.089 where: short stacking energy: -726.891 Base-Backbone interact. energy: -0.946 local terms energy: -719.518507 where: bonds (distance) C4'-P energy: -108.763 bonds (distance) P-C4' energy: -149.994 flat angles C4'-P-C4' energy: -147.889 flat angles P-C4'-P energy: -102.092 tors. eta vs tors. theta energy: -210.780 Dist. restrs. and SS energy: 0.000 (S_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: 270 Temperature: 1.150000 Total energy: -2426.035013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.035013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.035013 (E_RNA) where: Base-Base interactions energy: -1725.810 where: short stacking energy: -699.453 Base-Backbone interact. energy: 0.733 local terms energy: -700.957693 where: bonds (distance) C4'-P energy: -99.043 bonds (distance) P-C4' energy: -138.855 flat angles C4'-P-C4' energy: -153.990 flat angles P-C4'-P energy: -101.646 tors. eta vs tors. theta energy: -207.424 Dist. restrs. and SS energy: 0.000 (S_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: 270 Temperature: 1.200000 Total energy: -2457.247096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.247096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.247096 (E_RNA) where: Base-Base interactions energy: -1761.192 where: short stacking energy: -690.653 Base-Backbone interact. energy: -0.079 local terms energy: -695.976421 where: bonds (distance) C4'-P energy: -115.115 bonds (distance) P-C4' energy: -135.404 flat angles C4'-P-C4' energy: -137.444 flat angles P-C4'-P energy: -93.468 tors. eta vs tors. theta energy: -214.544 Dist. restrs. and SS energy: 0.000 (S_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: 270 Temperature: 1.250000 Total energy: -2397.166430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.166430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.166430 (E_RNA) where: Base-Base interactions energy: -1718.799 where: short stacking energy: -695.714 Base-Backbone interact. energy: 0.032 local terms energy: -678.399719 where: bonds (distance) C4'-P energy: -108.183 bonds (distance) P-C4' energy: -138.657 flat angles C4'-P-C4' energy: -137.748 flat angles P-C4'-P energy: -88.113 tors. eta vs tors. theta energy: -205.699 Dist. restrs. and SS energy: 0.000 (S_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: 270 Temperature: 1.300000 Total energy: -2207.379486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.379486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.379486 (E_RNA) where: Base-Base interactions energy: -1550.613 where: short stacking energy: -643.029 Base-Backbone interact. energy: -1.919 local terms energy: -654.847230 where: bonds (distance) C4'-P energy: -97.793 bonds (distance) P-C4' energy: -137.581 flat angles C4'-P-C4' energy: -136.198 flat angles P-C4'-P energy: -92.970 tors. eta vs tors. theta energy: -190.306 Dist. restrs. and SS energy: 0.000 (S_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: 270 Temperature: 1.350000 Total energy: -2017.919159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.919159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.919159 (E_RNA) where: Base-Base interactions energy: -1388.059 where: short stacking energy: -574.523 Base-Backbone interact. energy: -2.215 local terms energy: -627.644944 where: bonds (distance) C4'-P energy: -108.813 bonds (distance) P-C4' energy: -135.576 flat angles C4'-P-C4' energy: -147.671 flat angles P-C4'-P energy: -73.857 tors. eta vs tors. theta energy: -161.727 Dist. restrs. and SS energy: 0.000 (S_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: 271 Temperature: 0.900000 Total energy: -2692.225630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.225630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.225630 (E_RNA) where: Base-Base interactions energy: -1911.060 where: short stacking energy: -758.104 Base-Backbone interact. energy: -4.926 local terms energy: -776.239604 where: bonds (distance) C4'-P energy: -113.541 bonds (distance) P-C4' energy: -156.176 flat angles C4'-P-C4' energy: -158.476 flat angles P-C4'-P energy: -115.145 tors. eta vs tors. theta energy: -232.902 Dist. restrs. and SS energy: 0.000 (S_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: 271 Temperature: 0.950000 Total energy: -2676.297563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.297563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.297563 (E_RNA) where: Base-Base interactions energy: -1898.216 where: short stacking energy: -753.356 Base-Backbone interact. energy: -2.648 local terms energy: -775.433380 where: bonds (distance) C4'-P energy: -132.184 bonds (distance) P-C4' energy: -162.304 flat angles C4'-P-C4' energy: -152.791 flat angles P-C4'-P energy: -108.911 tors. eta vs tors. theta energy: -219.244 Dist. restrs. and SS energy: 0.000 (S_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: 271 Temperature: 1.000000 Total energy: -2592.584467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.584467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.584467 (E_RNA) where: Base-Base interactions energy: -1833.810 where: short stacking energy: -748.437 Base-Backbone interact. energy: -0.719 local terms energy: -758.055284 where: bonds (distance) C4'-P energy: -116.876 bonds (distance) P-C4' energy: -148.287 flat angles C4'-P-C4' energy: -154.425 flat angles P-C4'-P energy: -109.482 tors. eta vs tors. theta energy: -228.984 Dist. restrs. and SS energy: 0.000 (S_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: 271 Temperature: 1.050000 Total energy: -2599.463055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.463055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.463055 (E_RNA) where: Base-Base interactions energy: -1847.848 where: short stacking energy: -737.028 Base-Backbone interact. energy: -1.733 local terms energy: -749.882089 where: bonds (distance) C4'-P energy: -124.217 bonds (distance) P-C4' energy: -147.644 flat angles C4'-P-C4' energy: -158.436 flat angles P-C4'-P energy: -101.591 tors. eta vs tors. theta energy: -217.993 Dist. restrs. and SS energy: 0.000 (S_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: 271 Temperature: 1.100000 Total energy: -2520.067885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.067885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.067885 (E_RNA) where: Base-Base interactions energy: -1775.609 where: short stacking energy: -733.266 Base-Backbone interact. energy: -2.261 local terms energy: -742.197561 where: bonds (distance) C4'-P energy: -126.581 bonds (distance) P-C4' energy: -136.874 flat angles C4'-P-C4' energy: -154.991 flat angles P-C4'-P energy: -111.519 tors. eta vs tors. theta energy: -212.233 Dist. restrs. and SS energy: 0.000 (S_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: 271 Temperature: 1.150000 Total energy: -2427.803703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.803703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.803703 (E_RNA) where: Base-Base interactions energy: -1739.633 where: short stacking energy: -709.229 Base-Backbone interact. energy: 0.760 local terms energy: -688.930649 where: bonds (distance) C4'-P energy: -98.252 bonds (distance) P-C4' energy: -138.539 flat angles C4'-P-C4' energy: -146.582 flat angles P-C4'-P energy: -95.367 tors. eta vs tors. theta energy: -210.190 Dist. restrs. and SS energy: 0.000 (S_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: 271 Temperature: 1.200000 Total energy: -2397.902661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.902661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.902661 (E_RNA) where: Base-Base interactions energy: -1700.024 where: short stacking energy: -685.056 Base-Backbone interact. energy: -1.270 local terms energy: -696.608211 where: bonds (distance) C4'-P energy: -116.678 bonds (distance) P-C4' energy: -119.935 flat angles C4'-P-C4' energy: -149.810 flat angles P-C4'-P energy: -102.001 tors. eta vs tors. theta energy: -208.183 Dist. restrs. and SS energy: 0.000 (S_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: 271 Temperature: 1.250000 Total energy: -2350.433388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.433388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.433388 (E_RNA) where: Base-Base interactions energy: -1657.267 where: short stacking energy: -674.697 Base-Backbone interact. energy: -2.016 local terms energy: -691.149890 where: bonds (distance) C4'-P energy: -103.526 bonds (distance) P-C4' energy: -140.347 flat angles C4'-P-C4' energy: -149.266 flat angles P-C4'-P energy: -97.502 tors. eta vs tors. theta energy: -200.509 Dist. restrs. and SS energy: 0.000 (S_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: 271 Temperature: 1.300000 Total energy: -2196.592780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.592780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.592780 (E_RNA) where: Base-Base interactions energy: -1532.285 where: short stacking energy: -601.700 Base-Backbone interact. energy: -1.260 local terms energy: -663.047192 where: bonds (distance) C4'-P energy: -111.492 bonds (distance) P-C4' energy: -141.620 flat angles C4'-P-C4' energy: -130.307 flat angles P-C4'-P energy: -96.593 tors. eta vs tors. theta energy: -183.035 Dist. restrs. and SS energy: 0.000 (S_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: 271 Temperature: 1.350000 Total energy: -2009.398321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.398321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.398321 (E_RNA) where: Base-Base interactions energy: -1390.593 where: short stacking energy: -563.798 Base-Backbone interact. energy: -1.732 local terms energy: -617.073249 where: bonds (distance) C4'-P energy: -100.090 bonds (distance) P-C4' energy: -124.214 flat angles C4'-P-C4' energy: -140.571 flat angles P-C4'-P energy: -95.782 tors. eta vs tors. theta energy: -156.417 Dist. restrs. and SS energy: 0.000 (S_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: 272 Temperature: 0.900000 Total energy: -2702.205350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.205350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.205350 (E_RNA) where: Base-Base interactions energy: -1939.496 where: short stacking energy: -745.501 Base-Backbone interact. energy: -2.307 local terms energy: -760.402434 where: bonds (distance) C4'-P energy: -118.607 bonds (distance) P-C4' energy: -149.359 flat angles C4'-P-C4' energy: -161.237 flat angles P-C4'-P energy: -108.572 tors. eta vs tors. theta energy: -222.627 Dist. restrs. and SS energy: 0.000 (S_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: 272 Temperature: 0.950000 Total energy: -2683.455084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.455084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.455084 (E_RNA) where: Base-Base interactions energy: -1921.443 where: short stacking energy: -772.245 Base-Backbone interact. energy: -0.684 local terms energy: -761.328222 where: bonds (distance) C4'-P energy: -114.149 bonds (distance) P-C4' energy: -146.639 flat angles C4'-P-C4' energy: -167.199 flat angles P-C4'-P energy: -102.391 tors. eta vs tors. theta energy: -230.950 Dist. restrs. and SS energy: 0.000 (S_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: 272 Temperature: 1.000000 Total energy: -2597.362748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.362748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.362748 (E_RNA) where: Base-Base interactions energy: -1832.062 where: short stacking energy: -754.673 Base-Backbone interact. energy: -2.324 local terms energy: -762.977615 where: bonds (distance) C4'-P energy: -114.388 bonds (distance) P-C4' energy: -155.998 flat angles C4'-P-C4' energy: -158.627 flat angles P-C4'-P energy: -104.450 tors. eta vs tors. theta energy: -229.514 Dist. restrs. and SS energy: 0.000 (S_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: -2609.720542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.720542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.720542 (E_RNA) where: Base-Base interactions energy: -1831.684 where: short stacking energy: -735.165 Base-Backbone interact. energy: -2.719 local terms energy: -775.317593 where: bonds (distance) C4'-P energy: -122.333 bonds (distance) P-C4' energy: -160.528 flat angles C4'-P-C4' energy: -156.393 flat angles P-C4'-P energy: -109.918 tors. eta vs tors. theta energy: -226.146 Dist. restrs. and SS energy: 0.000 (S_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: 272 Temperature: 1.100000 Total energy: -2512.518240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.518240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.518240 (E_RNA) where: Base-Base interactions energy: -1786.186 where: short stacking energy: -711.285 Base-Backbone interact. energy: -2.431 local terms energy: -723.900639 where: bonds (distance) C4'-P energy: -110.653 bonds (distance) P-C4' energy: -142.624 flat angles C4'-P-C4' energy: -160.509 flat angles P-C4'-P energy: -96.712 tors. eta vs tors. theta energy: -213.402 Dist. restrs. and SS energy: 0.000 (S_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: 272 Temperature: 1.150000 Total energy: -2409.639070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.639070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.639070 (E_RNA) where: Base-Base interactions energy: -1718.275 where: short stacking energy: -712.577 Base-Backbone interact. energy: -1.566 local terms energy: -689.798501 where: bonds (distance) C4'-P energy: -104.179 bonds (distance) P-C4' energy: -134.068 flat angles C4'-P-C4' energy: -148.722 flat angles P-C4'-P energy: -91.060 tors. eta vs tors. theta energy: -211.769 Dist. restrs. and SS energy: 0.000 (S_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: 272 Temperature: 1.200000 Total energy: -2432.792471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.792471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.792471 (E_RNA) where: Base-Base interactions energy: -1723.900 where: short stacking energy: -699.137 Base-Backbone interact. energy: -2.369 local terms energy: -706.524388 where: bonds (distance) C4'-P energy: -109.035 bonds (distance) P-C4' energy: -139.884 flat angles C4'-P-C4' energy: -148.983 flat angles P-C4'-P energy: -99.978 tors. eta vs tors. theta energy: -208.644 Dist. restrs. and SS energy: 0.000 (S_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: 272 Temperature: 1.250000 Total energy: -2355.894048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.894048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.894048 (E_RNA) where: Base-Base interactions energy: -1677.179 where: short stacking energy: -665.941 Base-Backbone interact. energy: -0.928 local terms energy: -677.787121 where: bonds (distance) C4'-P energy: -105.476 bonds (distance) P-C4' energy: -132.125 flat angles C4'-P-C4' energy: -141.610 flat angles P-C4'-P energy: -104.629 tors. eta vs tors. theta energy: -193.948 Dist. restrs. and SS energy: 0.000 (S_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: 272 Temperature: 1.300000 Total energy: -2180.719860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.719860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.719860 (E_RNA) where: Base-Base interactions energy: -1525.420 where: short stacking energy: -601.171 Base-Backbone interact. energy: -1.933 local terms energy: -653.366845 where: bonds (distance) C4'-P energy: -98.686 bonds (distance) P-C4' energy: -135.324 flat angles C4'-P-C4' energy: -139.098 flat angles P-C4'-P energy: -109.064 tors. eta vs tors. theta energy: -171.195 Dist. restrs. and SS energy: 0.000 (S_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: 272 Temperature: 1.350000 Total energy: -2002.866619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.866619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.866619 (E_RNA) where: Base-Base interactions energy: -1378.253 where: short stacking energy: -580.127 Base-Backbone interact. energy: -0.896 local terms energy: -623.717733 where: bonds (distance) C4'-P energy: -119.793 bonds (distance) P-C4' energy: -133.560 flat angles C4'-P-C4' energy: -126.789 flat angles P-C4'-P energy: -78.744 tors. eta vs tors. theta energy: -164.832 Dist. restrs. and SS energy: 0.000 (S_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: 273 Temperature: 0.900000 Total energy: -2710.110139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.110139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.110139 (E_RNA) where: Base-Base interactions energy: -1947.701 where: short stacking energy: -747.925 Base-Backbone interact. energy: -1.177 local terms energy: -761.231762 where: bonds (distance) C4'-P energy: -124.823 bonds (distance) P-C4' energy: -138.119 flat angles C4'-P-C4' energy: -156.773 flat angles P-C4'-P energy: -118.496 tors. eta vs tors. theta energy: -223.020 Dist. restrs. and SS energy: 0.000 (S_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: 273 Temperature: 0.950000 Total energy: -2674.238577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.238577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.238577 (E_RNA) where: Base-Base interactions energy: -1892.030 where: short stacking energy: -761.402 Base-Backbone interact. energy: -2.161 local terms energy: -780.047409 where: bonds (distance) C4'-P energy: -122.717 bonds (distance) P-C4' energy: -154.142 flat angles C4'-P-C4' energy: -161.932 flat angles P-C4'-P energy: -112.024 tors. eta vs tors. theta energy: -229.232 Dist. restrs. and SS energy: 0.000 (S_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: 273 Temperature: 1.000000 Total energy: -2602.981363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.981363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.981363 (E_RNA) where: Base-Base interactions energy: -1843.613 where: short stacking energy: -748.570 Base-Backbone interact. energy: -1.082 local terms energy: -758.286032 where: bonds (distance) C4'-P energy: -112.766 bonds (distance) P-C4' energy: -153.209 flat angles C4'-P-C4' energy: -151.636 flat angles P-C4'-P energy: -114.183 tors. eta vs tors. theta energy: -226.492 Dist. restrs. and SS energy: 0.000 (S_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: 273 Temperature: 1.050000 Total energy: -2635.405197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.405197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.405197 (E_RNA) where: Base-Base interactions energy: -1874.674 where: short stacking energy: -760.417 Base-Backbone interact. energy: -2.411 local terms energy: -758.320611 where: bonds (distance) C4'-P energy: -115.791 bonds (distance) P-C4' energy: -151.174 flat angles C4'-P-C4' energy: -155.722 flat angles P-C4'-P energy: -111.839 tors. eta vs tors. theta energy: -223.794 Dist. restrs. and SS energy: 0.000 (S_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: 273 Temperature: 1.100000 Total energy: -2517.427760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.427760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.427760 (E_RNA) where: Base-Base interactions energy: -1770.539 where: short stacking energy: -703.635 Base-Backbone interact. energy: -1.716 local terms energy: -745.173162 where: bonds (distance) C4'-P energy: -122.329 bonds (distance) P-C4' energy: -147.212 flat angles C4'-P-C4' energy: -155.833 flat angles P-C4'-P energy: -103.957 tors. eta vs tors. theta energy: -215.842 Dist. restrs. and SS energy: 0.000 (S_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: 273 Temperature: 1.150000 Total energy: -2474.916215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.916215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.916215 (E_RNA) where: Base-Base interactions energy: -1761.654 where: short stacking energy: -708.381 Base-Backbone interact. energy: -1.486 local terms energy: -711.776490 where: bonds (distance) C4'-P energy: -111.935 bonds (distance) P-C4' energy: -147.019 flat angles C4'-P-C4' energy: -151.345 flat angles P-C4'-P energy: -94.757 tors. eta vs tors. theta energy: -206.719 Dist. restrs. and SS energy: 0.000 (S_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: 273 Temperature: 1.200000 Total energy: -2374.698343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.698343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.698343 (E_RNA) where: Base-Base interactions energy: -1682.437 where: short stacking energy: -691.708 Base-Backbone interact. energy: 2.470 local terms energy: -694.731319 where: bonds (distance) C4'-P energy: -128.426 bonds (distance) P-C4' energy: -118.750 flat angles C4'-P-C4' energy: -146.025 flat angles P-C4'-P energy: -94.495 tors. eta vs tors. theta energy: -207.035 Dist. restrs. and SS energy: 0.000 (S_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: -2370.698447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.698447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.698447 (E_RNA) where: Base-Base interactions energy: -1663.775 where: short stacking energy: -657.469 Base-Backbone interact. energy: -1.119 local terms energy: -705.804497 where: bonds (distance) C4'-P energy: -104.671 bonds (distance) P-C4' energy: -151.083 flat angles C4'-P-C4' energy: -142.526 flat angles P-C4'-P energy: -109.725 tors. eta vs tors. theta energy: -197.799 Dist. restrs. and SS energy: 0.000 (S_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: 273 Temperature: 1.300000 Total energy: -2214.240777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.240777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.240777 (E_RNA) where: Base-Base interactions energy: -1554.062 where: short stacking energy: -647.326 Base-Backbone interact. energy: -1.962 local terms energy: -658.216912 where: bonds (distance) C4'-P energy: -100.515 bonds (distance) P-C4' energy: -138.968 flat angles C4'-P-C4' energy: -152.636 flat angles P-C4'-P energy: -81.105 tors. eta vs tors. theta energy: -184.994 Dist. restrs. and SS energy: 0.000 (S_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: 273 Temperature: 1.350000 Total energy: -1998.315475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.315475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.315475 (E_RNA) where: Base-Base interactions energy: -1371.391 where: short stacking energy: -577.433 Base-Backbone interact. energy: 4.455 local terms energy: -631.379172 where: bonds (distance) C4'-P energy: -103.920 bonds (distance) P-C4' energy: -144.813 flat angles C4'-P-C4' energy: -140.986 flat angles P-C4'-P energy: -84.366 tors. eta vs tors. theta energy: -157.295 Dist. restrs. and SS energy: 0.000 (S_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: 274 Temperature: 0.900000 Total energy: -2703.709605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.709605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.709605 (E_RNA) where: Base-Base interactions energy: -1923.343 where: short stacking energy: -754.350 Base-Backbone interact. energy: -3.338 local terms energy: -777.028891 where: bonds (distance) C4'-P energy: -124.102 bonds (distance) P-C4' energy: -153.780 flat angles C4'-P-C4' energy: -164.344 flat angles P-C4'-P energy: -113.972 tors. eta vs tors. theta energy: -220.831 Dist. restrs. and SS energy: 0.000 (S_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: 274 Temperature: 0.950000 Total energy: -2680.215932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.215932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.215932 (E_RNA) where: Base-Base interactions energy: -1904.149 where: short stacking energy: -762.787 Base-Backbone interact. energy: -2.571 local terms energy: -773.495724 where: bonds (distance) C4'-P energy: -118.722 bonds (distance) P-C4' energy: -159.464 flat angles C4'-P-C4' energy: -158.182 flat angles P-C4'-P energy: -107.990 tors. eta vs tors. theta energy: -229.139 Dist. restrs. and SS energy: 0.000 (S_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: 274 Temperature: 1.000000 Total energy: -2660.474963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.474963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.474963 (E_RNA) where: Base-Base interactions energy: -1906.652 where: short stacking energy: -763.760 Base-Backbone interact. energy: -1.455 local terms energy: -752.367687 where: bonds (distance) C4'-P energy: -112.020 bonds (distance) P-C4' energy: -149.533 flat angles C4'-P-C4' energy: -155.631 flat angles P-C4'-P energy: -105.347 tors. eta vs tors. theta energy: -229.837 Dist. restrs. and SS energy: 0.000 (S_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: 274 Temperature: 1.050000 Total energy: -2579.975362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.975362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.975362 (E_RNA) where: Base-Base interactions energy: -1831.090 where: short stacking energy: -746.337 Base-Backbone interact. energy: -1.120 local terms energy: -747.765030 where: bonds (distance) C4'-P energy: -113.160 bonds (distance) P-C4' energy: -139.488 flat angles C4'-P-C4' energy: -160.745 flat angles P-C4'-P energy: -102.516 tors. eta vs tors. theta energy: -231.855 Dist. restrs. and SS energy: 0.000 (S_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: -2530.816300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.816300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.816300 (E_RNA) where: Base-Base interactions energy: -1795.672 where: short stacking energy: -730.195 Base-Backbone interact. energy: -0.584 local terms energy: -734.560729 where: bonds (distance) C4'-P energy: -107.791 bonds (distance) P-C4' energy: -142.198 flat angles C4'-P-C4' energy: -159.279 flat angles P-C4'-P energy: -107.914 tors. eta vs tors. theta energy: -217.379 Dist. restrs. and SS energy: 0.000 (S_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: 274 Temperature: 1.150000 Total energy: -2446.113306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.113306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.113306 (E_RNA) where: Base-Base interactions energy: -1725.430 where: short stacking energy: -695.170 Base-Backbone interact. energy: -2.547 local terms energy: -718.136629 where: bonds (distance) C4'-P energy: -115.322 bonds (distance) P-C4' energy: -144.255 flat angles C4'-P-C4' energy: -153.780 flat angles P-C4'-P energy: -100.187 tors. eta vs tors. theta energy: -204.591 Dist. restrs. and SS energy: 0.000 (S_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: -2418.633135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.633135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.633135 (E_RNA) where: Base-Base interactions energy: -1684.579 where: short stacking energy: -700.505 Base-Backbone interact. energy: -1.701 local terms energy: -732.353490 where: bonds (distance) C4'-P energy: -118.072 bonds (distance) P-C4' energy: -148.722 flat angles C4'-P-C4' energy: -156.621 flat angles P-C4'-P energy: -102.929 tors. eta vs tors. theta energy: -206.010 Dist. restrs. and SS energy: 0.000 (S_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: 274 Temperature: 1.250000 Total energy: -2338.120024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.120024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.120024 (E_RNA) where: Base-Base interactions energy: -1650.550 where: short stacking energy: -651.474 Base-Backbone interact. energy: -1.243 local terms energy: -686.327813 where: bonds (distance) C4'-P energy: -104.138 bonds (distance) P-C4' energy: -142.949 flat angles C4'-P-C4' energy: -141.724 flat angles P-C4'-P energy: -98.665 tors. eta vs tors. theta energy: -198.852 Dist. restrs. and SS energy: 0.000 (S_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: 274 Temperature: 1.300000 Total energy: -2246.352446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.352446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.352446 (E_RNA) where: Base-Base interactions energy: -1574.120 where: short stacking energy: -645.653 Base-Backbone interact. energy: -1.849 local terms energy: -670.383436 where: bonds (distance) C4'-P energy: -118.160 bonds (distance) P-C4' energy: -133.984 flat angles C4'-P-C4' energy: -135.395 flat angles P-C4'-P energy: -89.747 tors. eta vs tors. theta energy: -193.097 Dist. restrs. and SS energy: 0.000 (S_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: 274 Temperature: 1.350000 Total energy: -1976.384893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.384893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.384893 (E_RNA) where: Base-Base interactions energy: -1352.602 where: short stacking energy: -564.278 Base-Backbone interact. energy: -1.829 local terms energy: -621.953607 where: bonds (distance) C4'-P energy: -107.833 bonds (distance) P-C4' energy: -130.419 flat angles C4'-P-C4' energy: -131.314 flat angles P-C4'-P energy: -93.289 tors. eta vs tors. theta energy: -159.099 Dist. restrs. and SS energy: 0.000 (S_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: 275 Temperature: 0.900000 Total energy: -2696.277531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.277531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.277531 (E_RNA) where: Base-Base interactions energy: -1926.059 where: short stacking energy: -752.876 Base-Backbone interact. energy: -1.863 local terms energy: -768.355155 where: bonds (distance) C4'-P energy: -113.048 bonds (distance) P-C4' energy: -159.309 flat angles C4'-P-C4' energy: -153.555 flat angles P-C4'-P energy: -118.247 tors. eta vs tors. theta energy: -224.196 Dist. restrs. and SS energy: 0.000 (S_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: 275 Temperature: 0.950000 Total energy: -2685.037003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.037003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.037003 (E_RNA) where: Base-Base interactions energy: -1919.007 where: short stacking energy: -764.407 Base-Backbone interact. energy: -2.657 local terms energy: -763.372950 where: bonds (distance) C4'-P energy: -120.264 bonds (distance) P-C4' energy: -142.350 flat angles C4'-P-C4' energy: -162.170 flat angles P-C4'-P energy: -111.108 tors. eta vs tors. theta energy: -227.481 Dist. restrs. and SS energy: 0.000 (S_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: 275 Temperature: 1.000000 Total energy: -2638.225758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.225758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.225758 (E_RNA) where: Base-Base interactions energy: -1880.764 where: short stacking energy: -753.095 Base-Backbone interact. energy: -1.406 local terms energy: -756.056036 where: bonds (distance) C4'-P energy: -120.979 bonds (distance) P-C4' energy: -136.762 flat angles C4'-P-C4' energy: -159.159 flat angles P-C4'-P energy: -114.634 tors. eta vs tors. theta energy: -224.521 Dist. restrs. and SS energy: 0.000 (S_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: -2554.136303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.136303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.136303 (E_RNA) where: Base-Base interactions energy: -1805.791 where: short stacking energy: -721.576 Base-Backbone interact. energy: 0.076 local terms energy: -748.420422 where: bonds (distance) C4'-P energy: -122.087 bonds (distance) P-C4' energy: -142.089 flat angles C4'-P-C4' energy: -159.949 flat angles P-C4'-P energy: -114.774 tors. eta vs tors. theta energy: -209.521 Dist. restrs. and SS energy: 0.000 (S_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: 275 Temperature: 1.100000 Total energy: -2531.003463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.003463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.003463 (E_RNA) where: Base-Base interactions energy: -1789.245 where: short stacking energy: -734.973 Base-Backbone interact. energy: -2.043 local terms energy: -739.714585 where: bonds (distance) C4'-P energy: -110.560 bonds (distance) P-C4' energy: -146.305 flat angles C4'-P-C4' energy: -162.784 flat angles P-C4'-P energy: -96.450 tors. eta vs tors. theta energy: -223.615 Dist. restrs. and SS energy: 0.000 (S_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: 275 Temperature: 1.150000 Total energy: -2472.938202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.938202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.938202 (E_RNA) where: Base-Base interactions energy: -1738.069 where: short stacking energy: -684.445 Base-Backbone interact. energy: 0.512 local terms energy: -735.381232 where: bonds (distance) C4'-P energy: -120.399 bonds (distance) P-C4' energy: -141.298 flat angles C4'-P-C4' energy: -148.182 flat angles P-C4'-P energy: -111.328 tors. eta vs tors. theta energy: -214.175 Dist. restrs. and SS energy: 0.000 (S_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: 275 Temperature: 1.200000 Total energy: -2431.539256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.539256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.539256 (E_RNA) where: Base-Base interactions energy: -1722.025 where: short stacking energy: -713.379 Base-Backbone interact. energy: -0.864 local terms energy: -708.650814 where: bonds (distance) C4'-P energy: -109.479 bonds (distance) P-C4' energy: -140.955 flat angles C4'-P-C4' energy: -156.817 flat angles P-C4'-P energy: -88.753 tors. eta vs tors. theta energy: -212.647 Dist. restrs. and SS energy: 0.000 (S_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: 275 Temperature: 1.250000 Total energy: -2309.143260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.143260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.143260 (E_RNA) where: Base-Base interactions energy: -1629.799 where: short stacking energy: -663.962 Base-Backbone interact. energy: 3.501 local terms energy: -682.844555 where: bonds (distance) C4'-P energy: -117.667 bonds (distance) P-C4' energy: -127.775 flat angles C4'-P-C4' energy: -147.623 flat angles P-C4'-P energy: -95.402 tors. eta vs tors. theta energy: -194.378 Dist. restrs. and SS energy: 0.000 (S_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: 275 Temperature: 1.300000 Total energy: -2178.329488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.329488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.329488 (E_RNA) where: Base-Base interactions energy: -1519.544 where: short stacking energy: -619.801 Base-Backbone interact. energy: -2.024 local terms energy: -656.761252 where: bonds (distance) C4'-P energy: -82.719 bonds (distance) P-C4' energy: -150.989 flat angles C4'-P-C4' energy: -144.158 flat angles P-C4'-P energy: -97.316 tors. eta vs tors. theta energy: -181.579 Dist. restrs. and SS energy: 0.000 (S_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: 275 Temperature: 1.350000 Total energy: -1989.425610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.425610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.425610 (E_RNA) where: Base-Base interactions energy: -1342.002 where: short stacking energy: -540.655 Base-Backbone interact. energy: -1.582 local terms energy: -645.841827 where: bonds (distance) C4'-P energy: -113.384 bonds (distance) P-C4' energy: -151.439 flat angles C4'-P-C4' energy: -135.626 flat angles P-C4'-P energy: -93.310 tors. eta vs tors. theta energy: -152.083 Dist. restrs. and SS energy: 0.000 (S_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: 276 Temperature: 0.900000 Total energy: -2714.622678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.622678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.622678 (E_RNA) where: Base-Base interactions energy: -1940.492 where: short stacking energy: -758.645 Base-Backbone interact. energy: -3.000 local terms energy: -771.131293 where: bonds (distance) C4'-P energy: -111.703 bonds (distance) P-C4' energy: -145.966 flat angles C4'-P-C4' energy: -170.383 flat angles P-C4'-P energy: -118.010 tors. eta vs tors. theta energy: -225.070 Dist. restrs. and SS energy: 0.000 (S_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: 276 Temperature: 0.950000 Total energy: -2699.672346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.672346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.672346 (E_RNA) where: Base-Base interactions energy: -1919.964 where: short stacking energy: -771.329 Base-Backbone interact. energy: -3.117 local terms energy: -776.590503 where: bonds (distance) C4'-P energy: -127.645 bonds (distance) P-C4' energy: -149.577 flat angles C4'-P-C4' energy: -163.450 flat angles P-C4'-P energy: -108.029 tors. eta vs tors. theta energy: -227.890 Dist. restrs. and SS energy: 0.000 (S_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: 276 Temperature: 1.000000 Total energy: -2639.188113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.188113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.188113 (E_RNA) where: Base-Base interactions energy: -1871.645 where: short stacking energy: -754.075 Base-Backbone interact. energy: -0.061 local terms energy: -767.482353 where: bonds (distance) C4'-P energy: -115.698 bonds (distance) P-C4' energy: -154.286 flat angles C4'-P-C4' energy: -162.254 flat angles P-C4'-P energy: -112.459 tors. eta vs tors. theta energy: -222.785 Dist. restrs. and SS energy: 0.000 (S_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: 276 Temperature: 1.050000 Total energy: -2560.444686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.444686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.444686 (E_RNA) where: Base-Base interactions energy: -1842.613 where: short stacking energy: -730.979 Base-Backbone interact. energy: -1.563 local terms energy: -716.267909 where: bonds (distance) C4'-P energy: -108.970 bonds (distance) P-C4' energy: -141.403 flat angles C4'-P-C4' energy: -149.959 flat angles P-C4'-P energy: -107.690 tors. eta vs tors. theta energy: -208.246 Dist. restrs. and SS energy: 0.000 (S_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: 276 Temperature: 1.100000 Total energy: -2527.635096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.635096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.635096 (E_RNA) where: Base-Base interactions energy: -1794.341 where: short stacking energy: -717.265 Base-Backbone interact. energy: 0.074 local terms energy: -733.367937 where: bonds (distance) C4'-P energy: -113.294 bonds (distance) P-C4' energy: -150.299 flat angles C4'-P-C4' energy: -156.618 flat angles P-C4'-P energy: -93.165 tors. eta vs tors. theta energy: -219.992 Dist. restrs. and SS energy: 0.000 (S_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: 276 Temperature: 1.150000 Total energy: -2458.697000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.697000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.697000 (E_RNA) where: Base-Base interactions energy: -1770.730 where: short stacking energy: -712.212 Base-Backbone interact. energy: -1.536 local terms energy: -686.431233 where: bonds (distance) C4'-P energy: -101.026 bonds (distance) P-C4' energy: -142.061 flat angles C4'-P-C4' energy: -144.265 flat angles P-C4'-P energy: -90.155 tors. eta vs tors. theta energy: -208.923 Dist. restrs. and SS energy: 0.000 (S_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: 276 Temperature: 1.200000 Total energy: -2405.021900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.021900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.021900 (E_RNA) where: Base-Base interactions energy: -1706.618 where: short stacking energy: -688.044 Base-Backbone interact. energy: -1.140 local terms energy: -697.263360 where: bonds (distance) C4'-P energy: -114.043 bonds (distance) P-C4' energy: -139.286 flat angles C4'-P-C4' energy: -141.464 flat angles P-C4'-P energy: -96.560 tors. eta vs tors. theta energy: -205.911 Dist. restrs. and SS energy: 0.000 (S_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: 276 Temperature: 1.250000 Total energy: -2356.051709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.051709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.051709 (E_RNA) where: Base-Base interactions energy: -1656.680 where: short stacking energy: -670.951 Base-Backbone interact. energy: 1.298 local terms energy: -700.669560 where: bonds (distance) C4'-P energy: -95.248 bonds (distance) P-C4' energy: -153.431 flat angles C4'-P-C4' energy: -148.536 flat angles P-C4'-P energy: -98.803 tors. eta vs tors. theta energy: -204.652 Dist. restrs. and SS energy: 0.000 (S_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: 276 Temperature: 1.300000 Total energy: -2177.812815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.812815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.812815 (E_RNA) where: Base-Base interactions energy: -1520.929 where: short stacking energy: -609.757 Base-Backbone interact. energy: -1.035 local terms energy: -655.848558 where: bonds (distance) C4'-P energy: -111.833 bonds (distance) P-C4' energy: -124.755 flat angles C4'-P-C4' energy: -144.608 flat angles P-C4'-P energy: -99.710 tors. eta vs tors. theta energy: -174.942 Dist. restrs. and SS energy: 0.000 (S_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: 276 Temperature: 1.350000 Total energy: -2007.769239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.769239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.769239 (E_RNA) where: Base-Base interactions energy: -1372.443 where: short stacking energy: -570.438 Base-Backbone interact. energy: -0.165 local terms energy: -635.161241 where: bonds (distance) C4'-P energy: -104.197 bonds (distance) P-C4' energy: -144.146 flat angles C4'-P-C4' energy: -137.870 flat angles P-C4'-P energy: -92.647 tors. eta vs tors. theta energy: -156.301 Dist. restrs. and SS energy: 0.000 (S_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: 277 Temperature: 0.900000 Total energy: -2698.962818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.962818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.962818 (E_RNA) where: Base-Base interactions energy: -1925.924 where: short stacking energy: -744.113 Base-Backbone interact. energy: -2.436 local terms energy: -770.602660 where: bonds (distance) C4'-P energy: -117.407 bonds (distance) P-C4' energy: -157.555 flat angles C4'-P-C4' energy: -158.221 flat angles P-C4'-P energy: -116.269 tors. eta vs tors. theta energy: -221.151 Dist. restrs. and SS energy: 0.000 (S_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: 277 Temperature: 0.950000 Total energy: -2688.565089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.565089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.565089 (E_RNA) where: Base-Base interactions energy: -1915.246 where: short stacking energy: -771.766 Base-Backbone interact. energy: -0.167 local terms energy: -773.151562 where: bonds (distance) C4'-P energy: -119.980 bonds (distance) P-C4' energy: -155.598 flat angles C4'-P-C4' energy: -152.148 flat angles P-C4'-P energy: -115.888 tors. eta vs tors. theta energy: -229.536 Dist. restrs. and SS energy: 0.000 (S_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: 277 Temperature: 1.000000 Total energy: -2627.415626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.415626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.415626 (E_RNA) where: Base-Base interactions energy: -1867.688 where: short stacking energy: -750.617 Base-Backbone interact. energy: -0.875 local terms energy: -758.851949 where: bonds (distance) C4'-P energy: -118.488 bonds (distance) P-C4' energy: -136.635 flat angles C4'-P-C4' energy: -165.528 flat angles P-C4'-P energy: -112.344 tors. eta vs tors. theta energy: -225.858 Dist. restrs. and SS energy: 0.000 (S_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: 277 Temperature: 1.050000 Total energy: -2585.549238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.549238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.549238 (E_RNA) where: Base-Base interactions energy: -1819.308 where: short stacking energy: -743.285 Base-Backbone interact. energy: -1.172 local terms energy: -765.068907 where: bonds (distance) C4'-P energy: -119.825 bonds (distance) P-C4' energy: -146.104 flat angles C4'-P-C4' energy: -159.469 flat angles P-C4'-P energy: -112.142 tors. eta vs tors. theta energy: -227.530 Dist. restrs. and SS energy: 0.000 (S_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: 277 Temperature: 1.100000 Total energy: -2502.219255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.219255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.219255 (E_RNA) where: Base-Base interactions energy: -1804.521 where: short stacking energy: -734.542 Base-Backbone interact. energy: -0.125 local terms energy: -697.573772 where: bonds (distance) C4'-P energy: -105.858 bonds (distance) P-C4' energy: -125.842 flat angles C4'-P-C4' energy: -149.481 flat angles P-C4'-P energy: -103.949 tors. eta vs tors. theta energy: -212.444 Dist. restrs. and SS energy: 0.000 (S_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: 277 Temperature: 1.150000 Total energy: -2466.830868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.830868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.830868 (E_RNA) where: Base-Base interactions energy: -1761.131 where: short stacking energy: -711.910 Base-Backbone interact. energy: -1.099 local terms energy: -704.600962 where: bonds (distance) C4'-P energy: -109.967 bonds (distance) P-C4' energy: -134.473 flat angles C4'-P-C4' energy: -151.017 flat angles P-C4'-P energy: -100.504 tors. eta vs tors. theta energy: -208.639 Dist. restrs. and SS energy: 0.000 (S_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: 277 Temperature: 1.200000 Total energy: -2408.319996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.319996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.319996 (E_RNA) where: Base-Base interactions energy: -1700.039 where: short stacking energy: -688.303 Base-Backbone interact. energy: 0.621 local terms energy: -708.902421 where: bonds (distance) C4'-P energy: -121.805 bonds (distance) P-C4' energy: -144.343 flat angles C4'-P-C4' energy: -149.440 flat angles P-C4'-P energy: -83.640 tors. eta vs tors. theta energy: -209.675 Dist. restrs. and SS energy: 0.000 (S_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: 277 Temperature: 1.250000 Total energy: -2326.697336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.697336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.697336 (E_RNA) where: Base-Base interactions energy: -1653.655 where: short stacking energy: -655.131 Base-Backbone interact. energy: -1.898 local terms energy: -671.144073 where: bonds (distance) C4'-P energy: -108.438 bonds (distance) P-C4' energy: -134.948 flat angles C4'-P-C4' energy: -146.028 flat angles P-C4'-P energy: -92.229 tors. eta vs tors. theta energy: -189.500 Dist. restrs. and SS energy: 0.000 (S_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: 277 Temperature: 1.300000 Total energy: -2286.924989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.924989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.924989 (E_RNA) where: Base-Base interactions energy: -1598.315 where: short stacking energy: -666.142 Base-Backbone interact. energy: -1.141 local terms energy: -687.469312 where: bonds (distance) C4'-P energy: -102.176 bonds (distance) P-C4' energy: -135.510 flat angles C4'-P-C4' energy: -149.675 flat angles P-C4'-P energy: -102.812 tors. eta vs tors. theta energy: -197.295 Dist. restrs. and SS energy: 0.000 (S_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: 277 Temperature: 1.350000 Total energy: -2038.449676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.449676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.449676 (E_RNA) where: Base-Base interactions energy: -1415.380 where: short stacking energy: -591.458 Base-Backbone interact. energy: 3.855 local terms energy: -626.924558 where: bonds (distance) C4'-P energy: -106.784 bonds (distance) P-C4' energy: -136.550 flat angles C4'-P-C4' energy: -137.707 flat angles P-C4'-P energy: -86.807 tors. eta vs tors. theta energy: -159.077 Dist. restrs. and SS energy: 0.000 (S_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: 278 Temperature: 0.900000 Total energy: -2725.956182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.956182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.956182 (E_RNA) where: Base-Base interactions energy: -1933.922 where: short stacking energy: -763.172 Base-Backbone interact. energy: -4.349 local terms energy: -787.684795 where: bonds (distance) C4'-P energy: -121.357 bonds (distance) P-C4' energy: -152.558 flat angles C4'-P-C4' energy: -160.766 flat angles P-C4'-P energy: -121.984 tors. eta vs tors. theta energy: -231.020 Dist. restrs. and SS energy: 0.000 (S_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: 278 Temperature: 0.950000 Total energy: -2652.645223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.645223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.645223 (E_RNA) where: Base-Base interactions energy: -1884.892 where: short stacking energy: -736.317 Base-Backbone interact. energy: -0.191 local terms energy: -767.562148 where: bonds (distance) C4'-P energy: -129.580 bonds (distance) P-C4' energy: -157.434 flat angles C4'-P-C4' energy: -147.629 flat angles P-C4'-P energy: -114.065 tors. eta vs tors. theta energy: -218.853 Dist. restrs. and SS energy: 0.000 (S_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: 278 Temperature: 1.000000 Total energy: -2622.461954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.461954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.461954 (E_RNA) where: Base-Base interactions energy: -1871.348 where: short stacking energy: -743.065 Base-Backbone interact. energy: -2.036 local terms energy: -749.078025 where: bonds (distance) C4'-P energy: -110.668 bonds (distance) P-C4' energy: -145.435 flat angles C4'-P-C4' energy: -152.265 flat angles P-C4'-P energy: -113.846 tors. eta vs tors. theta energy: -226.864 Dist. restrs. and SS energy: 0.000 (S_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: 278 Temperature: 1.050000 Total energy: -2564.039542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.039542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.039542 (E_RNA) where: Base-Base interactions energy: -1820.163 where: short stacking energy: -729.634 Base-Backbone interact. energy: -1.993 local terms energy: -741.883551 where: bonds (distance) C4'-P energy: -120.735 bonds (distance) P-C4' energy: -145.561 flat angles C4'-P-C4' energy: -155.519 flat angles P-C4'-P energy: -97.358 tors. eta vs tors. theta energy: -222.710 Dist. restrs. and SS energy: 0.000 (S_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: 278 Temperature: 1.100000 Total energy: -2472.362618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.362618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.362618 (E_RNA) where: Base-Base interactions energy: -1773.030 where: short stacking energy: -719.120 Base-Backbone interact. energy: -1.458 local terms energy: -697.874195 where: bonds (distance) C4'-P energy: -103.895 bonds (distance) P-C4' energy: -139.170 flat angles C4'-P-C4' energy: -148.410 flat angles P-C4'-P energy: -98.509 tors. eta vs tors. theta energy: -207.891 Dist. restrs. and SS energy: 0.000 (S_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: 278 Temperature: 1.150000 Total energy: -2478.473484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.473484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.473484 (E_RNA) where: Base-Base interactions energy: -1758.848 where: short stacking energy: -689.900 Base-Backbone interact. energy: -1.210 local terms energy: -718.415108 where: bonds (distance) C4'-P energy: -118.247 bonds (distance) P-C4' energy: -134.214 flat angles C4'-P-C4' energy: -152.770 flat angles P-C4'-P energy: -103.889 tors. eta vs tors. theta energy: -209.294 Dist. restrs. and SS energy: 0.000 (S_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: 278 Temperature: 1.200000 Total energy: -2319.845402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.845402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.845402 (E_RNA) where: Base-Base interactions energy: -1627.427 where: short stacking energy: -652.555 Base-Backbone interact. energy: -2.314 local terms energy: -690.104385 where: bonds (distance) C4'-P energy: -122.287 bonds (distance) P-C4' energy: -133.524 flat angles C4'-P-C4' energy: -143.800 flat angles P-C4'-P energy: -100.436 tors. eta vs tors. theta energy: -190.057 Dist. restrs. and SS energy: 0.000 (S_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: 278 Temperature: 1.250000 Total energy: -2382.755386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.755386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.755386 (E_RNA) where: Base-Base interactions energy: -1676.235 where: short stacking energy: -678.211 Base-Backbone interact. energy: -1.454 local terms energy: -705.067331 where: bonds (distance) C4'-P energy: -117.551 bonds (distance) P-C4' energy: -130.374 flat angles C4'-P-C4' energy: -143.219 flat angles P-C4'-P energy: -104.449 tors. eta vs tors. theta energy: -209.475 Dist. restrs. and SS energy: 0.000 (S_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: 278 Temperature: 1.300000 Total energy: -2284.376635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.376635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.376635 (E_RNA) where: Base-Base interactions energy: -1620.758 where: short stacking energy: -656.525 Base-Backbone interact. energy: -0.320 local terms energy: -663.298976 where: bonds (distance) C4'-P energy: -95.848 bonds (distance) P-C4' energy: -130.547 flat angles C4'-P-C4' energy: -152.358 flat angles P-C4'-P energy: -83.106 tors. eta vs tors. theta energy: -201.440 Dist. restrs. and SS energy: 0.000 (S_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: 278 Temperature: 1.350000 Total energy: -2050.976719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.976719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.976719 (E_RNA) where: Base-Base interactions energy: -1423.991 where: short stacking energy: -576.237 Base-Backbone interact. energy: -0.072 local terms energy: -626.914234 where: bonds (distance) C4'-P energy: -107.251 bonds (distance) P-C4' energy: -137.879 flat angles C4'-P-C4' energy: -132.283 flat angles P-C4'-P energy: -87.624 tors. eta vs tors. theta energy: -161.877 Dist. restrs. and SS energy: 0.000 (S_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: 279 Temperature: 0.900000 Total energy: -2730.055792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.055792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.055792 (E_RNA) where: Base-Base interactions energy: -1937.194 where: short stacking energy: -774.713 Base-Backbone interact. energy: -1.591 local terms energy: -791.271137 where: bonds (distance) C4'-P energy: -128.651 bonds (distance) P-C4' energy: -150.400 flat angles C4'-P-C4' energy: -163.680 flat angles P-C4'-P energy: -119.118 tors. eta vs tors. theta energy: -229.422 Dist. restrs. and SS energy: 0.000 (S_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: 279 Temperature: 0.950000 Total energy: -2645.252382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.252382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.252382 (E_RNA) where: Base-Base interactions energy: -1884.337 where: short stacking energy: -756.303 Base-Backbone interact. energy: -2.703 local terms energy: -758.212406 where: bonds (distance) C4'-P energy: -117.665 bonds (distance) P-C4' energy: -143.655 flat angles C4'-P-C4' energy: -162.889 flat angles P-C4'-P energy: -112.046 tors. eta vs tors. theta energy: -221.957 Dist. restrs. and SS energy: 0.000 (S_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: 279 Temperature: 1.000000 Total energy: -2650.222740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.222740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.222740 (E_RNA) where: Base-Base interactions energy: -1913.561 where: short stacking energy: -769.700 Base-Backbone interact. energy: -1.383 local terms energy: -735.278042 where: bonds (distance) C4'-P energy: -114.328 bonds (distance) P-C4' energy: -147.637 flat angles C4'-P-C4' energy: -150.948 flat angles P-C4'-P energy: -103.144 tors. eta vs tors. theta energy: -219.220 Dist. restrs. and SS energy: 0.000 (S_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: 279 Temperature: 1.050000 Total energy: -2566.071167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.071167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.071167 (E_RNA) where: Base-Base interactions energy: -1831.018 where: short stacking energy: -744.378 Base-Backbone interact. energy: -0.614 local terms energy: -734.438667 where: bonds (distance) C4'-P energy: -106.693 bonds (distance) P-C4' energy: -145.909 flat angles C4'-P-C4' energy: -152.149 flat angles P-C4'-P energy: -107.671 tors. eta vs tors. theta energy: -222.016 Dist. restrs. and SS energy: 0.000 (S_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: 279 Temperature: 1.100000 Total energy: -2462.471127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.471127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.471127 (E_RNA) where: Base-Base interactions energy: -1753.300 where: short stacking energy: -685.501 Base-Backbone interact. energy: -2.470 local terms energy: -706.701610 where: bonds (distance) C4'-P energy: -118.035 bonds (distance) P-C4' energy: -141.921 flat angles C4'-P-C4' energy: -149.278 flat angles P-C4'-P energy: -102.199 tors. eta vs tors. theta energy: -195.268 Dist. restrs. and SS energy: 0.000 (S_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: 279 Temperature: 1.150000 Total energy: -2482.375308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.375308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.375308 (E_RNA) where: Base-Base interactions energy: -1755.576 where: short stacking energy: -713.424 Base-Backbone interact. energy: -2.336 local terms energy: -724.462992 where: bonds (distance) C4'-P energy: -117.484 bonds (distance) P-C4' energy: -145.381 flat angles C4'-P-C4' energy: -153.531 flat angles P-C4'-P energy: -102.983 tors. eta vs tors. theta energy: -205.084 Dist. restrs. and SS energy: 0.000 (S_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: 279 Temperature: 1.200000 Total energy: -2304.075615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.075615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.075615 (E_RNA) where: Base-Base interactions energy: -1619.069 where: short stacking energy: -656.065 Base-Backbone interact. energy: 1.392 local terms energy: -686.398268 where: bonds (distance) C4'-P energy: -90.347 bonds (distance) P-C4' energy: -144.208 flat angles C4'-P-C4' energy: -154.513 flat angles P-C4'-P energy: -98.868 tors. eta vs tors. theta energy: -198.462 Dist. restrs. and SS energy: 0.000 (S_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: 279 Temperature: 1.250000 Total energy: -2334.248769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.248769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.248769 (E_RNA) where: Base-Base interactions energy: -1654.130 where: short stacking energy: -656.761 Base-Backbone interact. energy: -1.685 local terms energy: -678.434303 where: bonds (distance) C4'-P energy: -116.639 bonds (distance) P-C4' energy: -132.959 flat angles C4'-P-C4' energy: -137.268 flat angles P-C4'-P energy: -99.987 tors. eta vs tors. theta energy: -191.581 Dist. restrs. and SS energy: 0.000 (S_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: 279 Temperature: 1.300000 Total energy: -2269.587609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.587609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.587609 (E_RNA) where: Base-Base interactions energy: -1598.618 where: short stacking energy: -647.107 Base-Backbone interact. energy: -1.734 local terms energy: -669.236143 where: bonds (distance) C4'-P energy: -103.192 bonds (distance) P-C4' energy: -140.775 flat angles C4'-P-C4' energy: -136.122 flat angles P-C4'-P energy: -102.659 tors. eta vs tors. theta energy: -186.487 Dist. restrs. and SS energy: 0.000 (S_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: 279 Temperature: 1.350000 Total energy: -2090.120113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.120113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.120113 (E_RNA) where: Base-Base interactions energy: -1445.049 where: short stacking energy: -599.997 Base-Backbone interact. energy: -2.418 local terms energy: -642.652246 where: bonds (distance) C4'-P energy: -115.247 bonds (distance) P-C4' energy: -131.865 flat angles C4'-P-C4' energy: -137.109 flat angles P-C4'-P energy: -87.755 tors. eta vs tors. theta energy: -170.676 Dist. restrs. and SS energy: 0.000 (S_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: 280 Temperature: 0.900000 Total energy: -2717.208042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.208042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.208042 (E_RNA) where: Base-Base interactions energy: -1933.988 where: short stacking energy: -775.771 Base-Backbone interact. energy: -2.499 local terms energy: -780.721110 where: bonds (distance) C4'-P energy: -108.564 bonds (distance) P-C4' energy: -165.459 flat angles C4'-P-C4' energy: -161.851 flat angles P-C4'-P energy: -113.083 tors. eta vs tors. theta energy: -231.764 Dist. restrs. and SS energy: 0.000 (S_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: 280 Temperature: 0.950000 Total energy: -2654.876906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.876906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.876906 (E_RNA) where: Base-Base interactions energy: -1880.563 where: short stacking energy: -764.716 Base-Backbone interact. energy: -1.991 local terms energy: -772.323037 where: bonds (distance) C4'-P energy: -118.147 bonds (distance) P-C4' energy: -155.280 flat angles C4'-P-C4' energy: -157.731 flat angles P-C4'-P energy: -110.530 tors. eta vs tors. theta energy: -230.635 Dist. restrs. and SS energy: 0.000 (S_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: -2649.172636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.172636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.172636 (E_RNA) where: Base-Base interactions energy: -1893.492 where: short stacking energy: -753.831 Base-Backbone interact. energy: -1.154 local terms energy: -754.527026 where: bonds (distance) C4'-P energy: -116.892 bonds (distance) P-C4' energy: -138.936 flat angles C4'-P-C4' energy: -151.431 flat angles P-C4'-P energy: -114.797 tors. eta vs tors. theta energy: -232.470 Dist. restrs. and SS energy: 0.000 (S_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: 280 Temperature: 1.050000 Total energy: -2586.120793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.120793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.120793 (E_RNA) where: Base-Base interactions energy: -1830.093 where: short stacking energy: -736.181 Base-Backbone interact. energy: -0.851 local terms energy: -755.176307 where: bonds (distance) C4'-P energy: -126.426 bonds (distance) P-C4' energy: -143.942 flat angles C4'-P-C4' energy: -149.559 flat angles P-C4'-P energy: -105.707 tors. eta vs tors. theta energy: -229.543 Dist. restrs. and SS energy: 0.000 (S_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: 280 Temperature: 1.100000 Total energy: -2506.650964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.650964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.650964 (E_RNA) where: Base-Base interactions energy: -1788.429 where: short stacking energy: -711.840 Base-Backbone interact. energy: -1.531 local terms energy: -716.690850 where: bonds (distance) C4'-P energy: -107.902 bonds (distance) P-C4' energy: -136.134 flat angles C4'-P-C4' energy: -155.155 flat angles P-C4'-P energy: -107.063 tors. eta vs tors. theta energy: -210.438 Dist. restrs. and SS energy: 0.000 (S_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: 280 Temperature: 1.150000 Total energy: -2464.957575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.957575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.957575 (E_RNA) where: Base-Base interactions energy: -1774.521 where: short stacking energy: -714.770 Base-Backbone interact. energy: -1.281 local terms energy: -689.155163 where: bonds (distance) C4'-P energy: -99.618 bonds (distance) P-C4' energy: -137.274 flat angles C4'-P-C4' energy: -147.999 flat angles P-C4'-P energy: -100.829 tors. eta vs tors. theta energy: -203.436 Dist. restrs. and SS energy: 0.000 (S_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: 280 Temperature: 1.200000 Total energy: -2406.443936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.443936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.443936 (E_RNA) where: Base-Base interactions energy: -1680.325 where: short stacking energy: -687.895 Base-Backbone interact. energy: -0.669 local terms energy: -725.449891 where: bonds (distance) C4'-P energy: -114.375 bonds (distance) P-C4' energy: -144.876 flat angles C4'-P-C4' energy: -158.526 flat angles P-C4'-P energy: -104.342 tors. eta vs tors. theta energy: -203.332 Dist. restrs. and SS energy: 0.000 (S_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: 280 Temperature: 1.250000 Total energy: -2302.797199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.797199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.797199 (E_RNA) where: Base-Base interactions energy: -1626.230 where: short stacking energy: -650.239 Base-Backbone interact. energy: -2.054 local terms energy: -674.512914 where: bonds (distance) C4'-P energy: -95.065 bonds (distance) P-C4' energy: -148.053 flat angles C4'-P-C4' energy: -142.805 flat angles P-C4'-P energy: -98.504 tors. eta vs tors. theta energy: -190.086 Dist. restrs. and SS energy: 0.000 (S_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: 280 Temperature: 1.300000 Total energy: -2290.078400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.078400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.078400 (E_RNA) where: Base-Base interactions energy: -1612.724 where: short stacking energy: -647.422 Base-Backbone interact. energy: -1.696 local terms energy: -675.657565 where: bonds (distance) C4'-P energy: -99.364 bonds (distance) P-C4' energy: -137.269 flat angles C4'-P-C4' energy: -142.320 flat angles P-C4'-P energy: -103.209 tors. eta vs tors. theta energy: -193.496 Dist. restrs. and SS energy: 0.000 (S_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: -2065.858435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.858435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.858435 (E_RNA) where: Base-Base interactions energy: -1430.876 where: short stacking energy: -605.072 Base-Backbone interact. energy: -2.378 local terms energy: -632.604262 where: bonds (distance) C4'-P energy: -102.610 bonds (distance) P-C4' energy: -131.208 flat angles C4'-P-C4' energy: -132.645 flat angles P-C4'-P energy: -93.518 tors. eta vs tors. theta energy: -172.623 Dist. restrs. and SS energy: 0.000 (S_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: 281 Temperature: 0.900000 Total energy: -2716.878654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.878654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.878654 (E_RNA) where: Base-Base interactions energy: -1921.822 where: short stacking energy: -771.673 Base-Backbone interact. energy: -0.326 local terms energy: -794.729809 where: bonds (distance) C4'-P energy: -125.365 bonds (distance) P-C4' energy: -158.986 flat angles C4'-P-C4' energy: -161.942 flat angles P-C4'-P energy: -116.905 tors. eta vs tors. theta energy: -231.532 Dist. restrs. and SS energy: 0.000 (S_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: -2681.607650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.607650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.607650 (E_RNA) where: Base-Base interactions energy: -1897.556 where: short stacking energy: -766.934 Base-Backbone interact. energy: -1.851 local terms energy: -782.201080 where: bonds (distance) C4'-P energy: -128.461 bonds (distance) P-C4' energy: -143.243 flat angles C4'-P-C4' energy: -162.980 flat angles P-C4'-P energy: -110.400 tors. eta vs tors. theta energy: -237.117 Dist. restrs. and SS energy: 0.000 (S_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: 281 Temperature: 1.000000 Total energy: -2624.212372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.212372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.212372 (E_RNA) where: Base-Base interactions energy: -1853.008 where: short stacking energy: -755.513 Base-Backbone interact. energy: -1.651 local terms energy: -769.554167 where: bonds (distance) C4'-P energy: -118.800 bonds (distance) P-C4' energy: -146.483 flat angles C4'-P-C4' energy: -155.229 flat angles P-C4'-P energy: -116.665 tors. eta vs tors. theta energy: -232.378 Dist. restrs. and SS energy: 0.000 (S_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: 281 Temperature: 1.050000 Total energy: -2572.853121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.853121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.853121 (E_RNA) where: Base-Base interactions energy: -1824.394 where: short stacking energy: -731.370 Base-Backbone interact. energy: -1.683 local terms energy: -746.775967 where: bonds (distance) C4'-P energy: -114.347 bonds (distance) P-C4' energy: -149.202 flat angles C4'-P-C4' energy: -156.915 flat angles P-C4'-P energy: -105.564 tors. eta vs tors. theta energy: -220.748 Dist. restrs. and SS energy: 0.000 (S_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: 281 Temperature: 1.100000 Total energy: -2538.920725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.920725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.920725 (E_RNA) where: Base-Base interactions energy: -1806.150 where: short stacking energy: -720.033 Base-Backbone interact. energy: -1.599 local terms energy: -731.172276 where: bonds (distance) C4'-P energy: -109.588 bonds (distance) P-C4' energy: -151.504 flat angles C4'-P-C4' energy: -146.749 flat angles P-C4'-P energy: -108.412 tors. eta vs tors. theta energy: -214.919 Dist. restrs. and SS energy: 0.000 (S_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: 281 Temperature: 1.150000 Total energy: -2422.620510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.620510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.620510 (E_RNA) where: Base-Base interactions energy: -1711.419 where: short stacking energy: -683.969 Base-Backbone interact. energy: -2.143 local terms energy: -709.058476 where: bonds (distance) C4'-P energy: -114.572 bonds (distance) P-C4' energy: -134.958 flat angles C4'-P-C4' energy: -159.404 flat angles P-C4'-P energy: -102.752 tors. eta vs tors. theta energy: -197.372 Dist. restrs. and SS energy: 0.000 (S_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: 281 Temperature: 1.200000 Total energy: -2432.584676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.584676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.584676 (E_RNA) where: Base-Base interactions energy: -1721.343 where: short stacking energy: -693.078 Base-Backbone interact. energy: -1.238 local terms energy: -710.003883 where: bonds (distance) C4'-P energy: -115.324 bonds (distance) P-C4' energy: -136.361 flat angles C4'-P-C4' energy: -153.807 flat angles P-C4'-P energy: -103.664 tors. eta vs tors. theta energy: -200.848 Dist. restrs. and SS energy: 0.000 (S_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: 281 Temperature: 1.250000 Total energy: -2311.937707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.937707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.937707 (E_RNA) where: Base-Base interactions energy: -1632.978 where: short stacking energy: -658.665 Base-Backbone interact. energy: -1.063 local terms energy: -677.896998 where: bonds (distance) C4'-P energy: -107.647 bonds (distance) P-C4' energy: -142.768 flat angles C4'-P-C4' energy: -136.323 flat angles P-C4'-P energy: -98.036 tors. eta vs tors. theta energy: -193.124 Dist. restrs. and SS energy: 0.000 (S_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: 281 Temperature: 1.300000 Total energy: -2251.271228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.271228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.271228 (E_RNA) where: Base-Base interactions energy: -1586.757 where: short stacking energy: -623.933 Base-Backbone interact. energy: -2.743 local terms energy: -661.771918 where: bonds (distance) C4'-P energy: -106.132 bonds (distance) P-C4' energy: -132.768 flat angles C4'-P-C4' energy: -136.795 flat angles P-C4'-P energy: -102.783 tors. eta vs tors. theta energy: -183.293 Dist. restrs. and SS energy: 0.000 (S_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: -2087.934575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.934575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.934575 (E_RNA) where: Base-Base interactions energy: -1451.704 where: short stacking energy: -618.651 Base-Backbone interact. energy: -0.803 local terms energy: -635.427605 where: bonds (distance) C4'-P energy: -90.633 bonds (distance) P-C4' energy: -136.276 flat angles C4'-P-C4' energy: -145.217 flat angles P-C4'-P energy: -82.647 tors. eta vs tors. theta energy: -180.654 Dist. restrs. and SS energy: 0.000 (S_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: -2692.349523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.349523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.349523 (E_RNA) where: Base-Base interactions energy: -1926.351 where: short stacking energy: -764.918 Base-Backbone interact. energy: -2.166 local terms energy: -763.832471 where: bonds (distance) C4'-P energy: -119.012 bonds (distance) P-C4' energy: -143.078 flat angles C4'-P-C4' energy: -163.575 flat angles P-C4'-P energy: -113.250 tors. eta vs tors. theta energy: -224.917 Dist. restrs. and SS energy: 0.000 (S_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: 282 Temperature: 0.950000 Total energy: -2675.849090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.849090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.849090 (E_RNA) where: Base-Base interactions energy: -1899.885 where: short stacking energy: -759.515 Base-Backbone interact. energy: -4.522 local terms energy: -771.442248 where: bonds (distance) C4'-P energy: -123.772 bonds (distance) P-C4' energy: -143.755 flat angles C4'-P-C4' energy: -158.486 flat angles P-C4'-P energy: -113.949 tors. eta vs tors. theta energy: -231.481 Dist. restrs. and SS energy: 0.000 (S_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: 282 Temperature: 1.000000 Total energy: -2636.455212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.455212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.455212 (E_RNA) where: Base-Base interactions energy: -1871.322 where: short stacking energy: -751.344 Base-Backbone interact. energy: -2.202 local terms energy: -762.931264 where: bonds (distance) C4'-P energy: -119.652 bonds (distance) P-C4' energy: -147.899 flat angles C4'-P-C4' energy: -164.623 flat angles P-C4'-P energy: -103.882 tors. eta vs tors. theta energy: -226.876 Dist. restrs. and SS energy: 0.000 (S_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: 282 Temperature: 1.050000 Total energy: -2563.838988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.838988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.838988 (E_RNA) where: Base-Base interactions energy: -1815.158 where: short stacking energy: -735.320 Base-Backbone interact. energy: -1.537 local terms energy: -747.143255 where: bonds (distance) C4'-P energy: -118.934 bonds (distance) P-C4' energy: -140.564 flat angles C4'-P-C4' energy: -156.997 flat angles P-C4'-P energy: -108.284 tors. eta vs tors. theta energy: -222.363 Dist. restrs. and SS energy: 0.000 (S_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: 282 Temperature: 1.100000 Total energy: -2505.419054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.419054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.419054 (E_RNA) where: Base-Base interactions energy: -1786.525 where: short stacking energy: -713.550 Base-Backbone interact. energy: -1.055 local terms energy: -717.839125 where: bonds (distance) C4'-P energy: -118.743 bonds (distance) P-C4' energy: -135.190 flat angles C4'-P-C4' energy: -154.966 flat angles P-C4'-P energy: -97.331 tors. eta vs tors. theta energy: -211.609 Dist. restrs. and SS energy: 0.000 (S_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: 282 Temperature: 1.150000 Total energy: -2450.386759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.386759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.386759 (E_RNA) where: Base-Base interactions energy: -1737.431 where: short stacking energy: -693.834 Base-Backbone interact. energy: 1.818 local terms energy: -714.773768 where: bonds (distance) C4'-P energy: -111.845 bonds (distance) P-C4' energy: -144.219 flat angles C4'-P-C4' energy: -152.519 flat angles P-C4'-P energy: -98.985 tors. eta vs tors. theta energy: -207.206 Dist. restrs. and SS energy: 0.000 (S_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: 282 Temperature: 1.200000 Total energy: -2434.418275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.418275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.418275 (E_RNA) where: Base-Base interactions energy: -1746.367 where: short stacking energy: -699.397 Base-Backbone interact. energy: -1.838 local terms energy: -686.214000 where: bonds (distance) C4'-P energy: -108.185 bonds (distance) P-C4' energy: -135.844 flat angles C4'-P-C4' energy: -143.624 flat angles P-C4'-P energy: -100.513 tors. eta vs tors. theta energy: -198.049 Dist. restrs. and SS energy: 0.000 (S_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: -2340.307552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.307552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.307552 (E_RNA) where: Base-Base interactions energy: -1654.763 where: short stacking energy: -672.179 Base-Backbone interact. energy: -0.850 local terms energy: -684.695155 where: bonds (distance) C4'-P energy: -108.857 bonds (distance) P-C4' energy: -126.996 flat angles C4'-P-C4' energy: -144.064 flat angles P-C4'-P energy: -102.315 tors. eta vs tors. theta energy: -202.462 Dist. restrs. and SS energy: 0.000 (S_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: 282 Temperature: 1.300000 Total energy: -2217.783299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.783299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.783299 (E_RNA) where: Base-Base interactions energy: -1564.699 where: short stacking energy: -630.203 Base-Backbone interact. energy: -0.956 local terms energy: -652.127585 where: bonds (distance) C4'-P energy: -92.507 bonds (distance) P-C4' energy: -137.174 flat angles C4'-P-C4' energy: -144.820 flat angles P-C4'-P energy: -96.273 tors. eta vs tors. theta energy: -181.353 Dist. restrs. and SS energy: 0.000 (S_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: 282 Temperature: 1.350000 Total energy: -2052.223216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.223216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.223216 (E_RNA) where: Base-Base interactions energy: -1428.888 where: short stacking energy: -587.816 Base-Backbone interact. energy: -1.132 local terms energy: -622.202889 where: bonds (distance) C4'-P energy: -99.022 bonds (distance) P-C4' energy: -148.041 flat angles C4'-P-C4' energy: -144.472 flat angles P-C4'-P energy: -77.393 tors. eta vs tors. theta energy: -153.275 Dist. restrs. and SS energy: 0.000 (S_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: -2698.131872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.131872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.131872 (E_RNA) where: Base-Base interactions energy: -1914.467 where: short stacking energy: -771.326 Base-Backbone interact. energy: -2.491 local terms energy: -781.173530 where: bonds (distance) C4'-P energy: -126.050 bonds (distance) P-C4' energy: -155.669 flat angles C4'-P-C4' energy: -162.270 flat angles P-C4'-P energy: -106.897 tors. eta vs tors. theta energy: -230.288 Dist. restrs. and SS energy: 0.000 (S_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: 283 Temperature: 0.950000 Total energy: -2690.141049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.141049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.141049 (E_RNA) where: Base-Base interactions energy: -1909.663 where: short stacking energy: -762.478 Base-Backbone interact. energy: -1.692 local terms energy: -778.785682 where: bonds (distance) C4'-P energy: -124.258 bonds (distance) P-C4' energy: -154.187 flat angles C4'-P-C4' energy: -161.287 flat angles P-C4'-P energy: -111.895 tors. eta vs tors. theta energy: -227.158 Dist. restrs. and SS energy: 0.000 (S_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: 283 Temperature: 1.000000 Total energy: -2626.241407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.241407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.241407 (E_RNA) where: Base-Base interactions energy: -1869.817 where: short stacking energy: -751.739 Base-Backbone interact. energy: -1.386 local terms energy: -755.038182 where: bonds (distance) C4'-P energy: -116.376 bonds (distance) P-C4' energy: -149.296 flat angles C4'-P-C4' energy: -159.286 flat angles P-C4'-P energy: -107.064 tors. eta vs tors. theta energy: -223.017 Dist. restrs. and SS energy: 0.000 (S_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: 283 Temperature: 1.050000 Total energy: -2573.021204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.021204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.021204 (E_RNA) where: Base-Base interactions energy: -1812.121 where: short stacking energy: -729.331 Base-Backbone interact. energy: -0.803 local terms energy: -760.097529 where: bonds (distance) C4'-P energy: -120.431 bonds (distance) P-C4' energy: -147.953 flat angles C4'-P-C4' energy: -155.633 flat angles P-C4'-P energy: -110.769 tors. eta vs tors. theta energy: -225.311 Dist. restrs. and SS energy: 0.000 (S_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: 283 Temperature: 1.100000 Total energy: -2463.326591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.326591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.326591 (E_RNA) where: Base-Base interactions energy: -1723.815 where: short stacking energy: -686.037 Base-Backbone interact. energy: -1.067 local terms energy: -738.444905 where: bonds (distance) C4'-P energy: -118.302 bonds (distance) P-C4' energy: -156.919 flat angles C4'-P-C4' energy: -159.335 flat angles P-C4'-P energy: -100.940 tors. eta vs tors. theta energy: -202.949 Dist. restrs. and SS energy: 0.000 (S_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: 283 Temperature: 1.150000 Total energy: -2465.733610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.733610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.733610 (E_RNA) where: Base-Base interactions energy: -1764.606 where: short stacking energy: -713.869 Base-Backbone interact. energy: -0.861 local terms energy: -700.266448 where: bonds (distance) C4'-P energy: -97.395 bonds (distance) P-C4' energy: -134.928 flat angles C4'-P-C4' energy: -158.441 flat angles P-C4'-P energy: -99.840 tors. eta vs tors. theta energy: -209.663 Dist. restrs. and SS energy: 0.000 (S_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: 283 Temperature: 1.200000 Total energy: -2378.356425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.356425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.356425 (E_RNA) where: Base-Base interactions energy: -1670.057 where: short stacking energy: -698.385 Base-Backbone interact. energy: -3.012 local terms energy: -705.287123 where: bonds (distance) C4'-P energy: -108.586 bonds (distance) P-C4' energy: -137.319 flat angles C4'-P-C4' energy: -152.149 flat angles P-C4'-P energy: -103.777 tors. eta vs tors. theta energy: -203.455 Dist. restrs. and SS energy: 0.000 (S_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: 283 Temperature: 1.250000 Total energy: -2337.670045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.670045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.670045 (E_RNA) where: Base-Base interactions energy: -1685.063 where: short stacking energy: -682.693 Base-Backbone interact. energy: 0.324 local terms energy: -652.930629 where: bonds (distance) C4'-P energy: -118.834 bonds (distance) P-C4' energy: -129.357 flat angles C4'-P-C4' energy: -119.356 flat angles P-C4'-P energy: -89.871 tors. eta vs tors. theta energy: -195.513 Dist. restrs. and SS energy: 0.000 (S_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: 283 Temperature: 1.300000 Total energy: -2259.373361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.373361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.373361 (E_RNA) where: Base-Base interactions energy: -1564.280 where: short stacking energy: -628.843 Base-Backbone interact. energy: -2.604 local terms energy: -692.490027 where: bonds (distance) C4'-P energy: -124.286 bonds (distance) P-C4' energy: -147.062 flat angles C4'-P-C4' energy: -145.629 flat angles P-C4'-P energy: -91.037 tors. eta vs tors. theta energy: -184.476 Dist. restrs. and SS energy: 0.000 (S_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: 283 Temperature: 1.350000 Total energy: -2025.968531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.968531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.968531 (E_RNA) where: Base-Base interactions energy: -1409.358 where: short stacking energy: -575.270 Base-Backbone interact. energy: -0.454 local terms energy: -616.156283 where: bonds (distance) C4'-P energy: -93.849 bonds (distance) P-C4' energy: -147.935 flat angles C4'-P-C4' energy: -126.395 flat angles P-C4'-P energy: -87.130 tors. eta vs tors. theta energy: -160.847 Dist. restrs. and SS energy: 0.000 (S_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: 284 Temperature: 0.900000 Total energy: -2700.989899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.989899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.989899 (E_RNA) where: Base-Base interactions energy: -1918.059 where: short stacking energy: -772.272 Base-Backbone interact. energy: -2.147 local terms energy: -780.783401 where: bonds (distance) C4'-P energy: -115.191 bonds (distance) P-C4' energy: -161.576 flat angles C4'-P-C4' energy: -165.612 flat angles P-C4'-P energy: -110.198 tors. eta vs tors. theta energy: -228.206 Dist. restrs. and SS energy: 0.000 (S_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: -2669.989102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.989102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.989102 (E_RNA) where: Base-Base interactions energy: -1908.819 where: short stacking energy: -766.122 Base-Backbone interact. energy: -2.095 local terms energy: -759.075067 where: bonds (distance) C4'-P energy: -115.719 bonds (distance) P-C4' energy: -148.886 flat angles C4'-P-C4' energy: -157.280 flat angles P-C4'-P energy: -111.055 tors. eta vs tors. theta energy: -226.135 Dist. restrs. and SS energy: 0.000 (S_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: 284 Temperature: 1.000000 Total energy: -2645.171848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.171848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.171848 (E_RNA) where: Base-Base interactions energy: -1891.738 where: short stacking energy: -778.386 Base-Backbone interact. energy: -2.960 local terms energy: -750.474148 where: bonds (distance) C4'-P energy: -122.938 bonds (distance) P-C4' energy: -146.545 flat angles C4'-P-C4' energy: -147.125 flat angles P-C4'-P energy: -105.260 tors. eta vs tors. theta energy: -228.606 Dist. restrs. and SS energy: 0.000 (S_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: 284 Temperature: 1.050000 Total energy: -2581.816668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.816668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.816668 (E_RNA) where: Base-Base interactions energy: -1829.801 where: short stacking energy: -752.011 Base-Backbone interact. energy: -1.320 local terms energy: -750.696212 where: bonds (distance) C4'-P energy: -106.090 bonds (distance) P-C4' energy: -145.080 flat angles C4'-P-C4' energy: -157.831 flat angles P-C4'-P energy: -109.004 tors. eta vs tors. theta energy: -232.690 Dist. restrs. and SS energy: 0.000 (S_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: 284 Temperature: 1.100000 Total energy: -2522.490807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.490807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.490807 (E_RNA) where: Base-Base interactions energy: -1788.794 where: short stacking energy: -727.099 Base-Backbone interact. energy: -1.141 local terms energy: -732.556274 where: bonds (distance) C4'-P energy: -112.102 bonds (distance) P-C4' energy: -145.485 flat angles C4'-P-C4' energy: -153.849 flat angles P-C4'-P energy: -106.119 tors. eta vs tors. theta energy: -215.002 Dist. restrs. and SS energy: 0.000 (S_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: 284 Temperature: 1.150000 Total energy: -2451.045260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.045260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.045260 (E_RNA) where: Base-Base interactions energy: -1756.209 where: short stacking energy: -708.814 Base-Backbone interact. energy: -1.215 local terms energy: -693.620442 where: bonds (distance) C4'-P energy: -101.147 bonds (distance) P-C4' energy: -142.036 flat angles C4'-P-C4' energy: -145.588 flat angles P-C4'-P energy: -101.737 tors. eta vs tors. theta energy: -203.111 Dist. restrs. and SS energy: 0.000 (S_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: 284 Temperature: 1.200000 Total energy: -2333.281659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.281659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.281659 (E_RNA) where: Base-Base interactions energy: -1633.665 where: short stacking energy: -661.433 Base-Backbone interact. energy: -2.480 local terms energy: -697.137348 where: bonds (distance) C4'-P energy: -118.158 bonds (distance) P-C4' energy: -148.763 flat angles C4'-P-C4' energy: -142.572 flat angles P-C4'-P energy: -101.722 tors. eta vs tors. theta energy: -185.923 Dist. restrs. and SS energy: 0.000 (S_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: 284 Temperature: 1.250000 Total energy: -2317.541123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.541123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.541123 (E_RNA) where: Base-Base interactions energy: -1648.769 where: short stacking energy: -664.286 Base-Backbone interact. energy: -1.258 local terms energy: -667.513779 where: bonds (distance) C4'-P energy: -101.290 bonds (distance) P-C4' energy: -130.341 flat angles C4'-P-C4' energy: -152.436 flat angles P-C4'-P energy: -94.606 tors. eta vs tors. theta energy: -188.839 Dist. restrs. and SS energy: 0.000 (S_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: 284 Temperature: 1.300000 Total energy: -2207.568002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.568002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.568002 (E_RNA) where: Base-Base interactions energy: -1548.244 where: short stacking energy: -634.139 Base-Backbone interact. energy: -1.088 local terms energy: -658.235490 where: bonds (distance) C4'-P energy: -96.881 bonds (distance) P-C4' energy: -144.797 flat angles C4'-P-C4' energy: -135.873 flat angles P-C4'-P energy: -95.693 tors. eta vs tors. theta energy: -184.992 Dist. restrs. and SS energy: 0.000 (S_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: 284 Temperature: 1.350000 Total energy: -2015.166311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.166311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.166311 (E_RNA) where: Base-Base interactions energy: -1401.751 where: short stacking energy: -572.116 Base-Backbone interact. energy: -3.477 local terms energy: -609.937970 where: bonds (distance) C4'-P energy: -93.949 bonds (distance) P-C4' energy: -125.073 flat angles C4'-P-C4' energy: -135.548 flat angles P-C4'-P energy: -95.829 tors. eta vs tors. theta energy: -159.539 Dist. restrs. and SS energy: 0.000 (S_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: 285 Temperature: 0.900000 Total energy: -2690.370437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.370437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.370437 (E_RNA) where: Base-Base interactions energy: -1916.595 where: short stacking energy: -772.578 Base-Backbone interact. energy: -0.816 local terms energy: -772.960328 where: bonds (distance) C4'-P energy: -124.348 bonds (distance) P-C4' energy: -155.289 flat angles C4'-P-C4' energy: -154.949 flat angles P-C4'-P energy: -114.020 tors. eta vs tors. theta energy: -224.355 Dist. restrs. and SS energy: 0.000 (S_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: 285 Temperature: 0.950000 Total energy: -2657.940985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.940985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.940985 (E_RNA) where: Base-Base interactions energy: -1884.823 where: short stacking energy: -758.950 Base-Backbone interact. energy: -2.248 local terms energy: -770.869962 where: bonds (distance) C4'-P energy: -125.548 bonds (distance) P-C4' energy: -147.637 flat angles C4'-P-C4' energy: -158.898 flat angles P-C4'-P energy: -109.655 tors. eta vs tors. theta energy: -229.131 Dist. restrs. and SS energy: 0.000 (S_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: -2649.904637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.904637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.904637 (E_RNA) where: Base-Base interactions energy: -1881.926 where: short stacking energy: -744.886 Base-Backbone interact. energy: -0.828 local terms energy: -767.150559 where: bonds (distance) C4'-P energy: -119.343 bonds (distance) P-C4' energy: -155.230 flat angles C4'-P-C4' energy: -156.707 flat angles P-C4'-P energy: -107.956 tors. eta vs tors. theta energy: -227.915 Dist. restrs. and SS energy: 0.000 (S_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: 285 Temperature: 1.050000 Total energy: -2572.149771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.149771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.149771 (E_RNA) where: Base-Base interactions energy: -1817.346 where: short stacking energy: -720.892 Base-Backbone interact. energy: 0.436 local terms energy: -755.239848 where: bonds (distance) C4'-P energy: -117.584 bonds (distance) P-C4' energy: -151.844 flat angles C4'-P-C4' energy: -154.546 flat angles P-C4'-P energy: -103.944 tors. eta vs tors. theta energy: -227.323 Dist. restrs. and SS energy: 0.000 (S_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: 285 Temperature: 1.100000 Total energy: -2490.499816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.499816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.499816 (E_RNA) where: Base-Base interactions energy: -1765.906 where: short stacking energy: -708.525 Base-Backbone interact. energy: -1.559 local terms energy: -723.034210 where: bonds (distance) C4'-P energy: -115.067 bonds (distance) P-C4' energy: -146.983 flat angles C4'-P-C4' energy: -144.970 flat angles P-C4'-P energy: -101.091 tors. eta vs tors. theta energy: -214.923 Dist. restrs. and SS energy: 0.000 (S_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: 285 Temperature: 1.150000 Total energy: -2486.347720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.347720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.347720 (E_RNA) where: Base-Base interactions energy: -1751.119 where: short stacking energy: -707.439 Base-Backbone interact. energy: -1.919 local terms energy: -733.309683 where: bonds (distance) C4'-P energy: -114.007 bonds (distance) P-C4' energy: -142.576 flat angles C4'-P-C4' energy: -162.455 flat angles P-C4'-P energy: -103.843 tors. eta vs tors. theta energy: -210.429 Dist. restrs. and SS energy: 0.000 (S_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: 285 Temperature: 1.200000 Total energy: -2346.483320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.483320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.483320 (E_RNA) where: Base-Base interactions energy: -1667.871 where: short stacking energy: -676.589 Base-Backbone interact. energy: 3.256 local terms energy: -681.868947 where: bonds (distance) C4'-P energy: -108.119 bonds (distance) P-C4' energy: -137.814 flat angles C4'-P-C4' energy: -149.996 flat angles P-C4'-P energy: -95.880 tors. eta vs tors. theta energy: -190.060 Dist. restrs. and SS energy: 0.000 (S_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: 285 Temperature: 1.250000 Total energy: -2309.581083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.581083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.581083 (E_RNA) where: Base-Base interactions energy: -1631.969 where: short stacking energy: -656.415 Base-Backbone interact. energy: 1.664 local terms energy: -679.275859 where: bonds (distance) C4'-P energy: -109.763 bonds (distance) P-C4' energy: -149.721 flat angles C4'-P-C4' energy: -135.790 flat angles P-C4'-P energy: -91.440 tors. eta vs tors. theta energy: -192.562 Dist. restrs. and SS energy: 0.000 (S_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: -2186.269341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.269341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.269341 (E_RNA) where: Base-Base interactions energy: -1497.661 where: short stacking energy: -638.892 Base-Backbone interact. energy: -0.804 local terms energy: -687.804546 where: bonds (distance) C4'-P energy: -112.966 bonds (distance) P-C4' energy: -138.853 flat angles C4'-P-C4' energy: -149.210 flat angles P-C4'-P energy: -99.400 tors. eta vs tors. theta energy: -187.376 Dist. restrs. and SS energy: 0.000 (S_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: 285 Temperature: 1.350000 Total energy: -1975.287933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.287933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.287933 (E_RNA) where: Base-Base interactions energy: -1384.151 where: short stacking energy: -572.195 Base-Backbone interact. energy: -1.795 local terms energy: -589.342480 where: bonds (distance) C4'-P energy: -90.274 bonds (distance) P-C4' energy: -132.376 flat angles C4'-P-C4' energy: -131.792 flat angles P-C4'-P energy: -77.846 tors. eta vs tors. theta energy: -157.054 Dist. restrs. and SS energy: 0.000 (S_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: -2708.714997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.714997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.714997 (E_RNA) where: Base-Base interactions energy: -1922.312 where: short stacking energy: -767.167 Base-Backbone interact. energy: -4.048 local terms energy: -782.355704 where: bonds (distance) C4'-P energy: -125.366 bonds (distance) P-C4' energy: -156.465 flat angles C4'-P-C4' energy: -165.816 flat angles P-C4'-P energy: -109.690 tors. eta vs tors. theta energy: -225.019 Dist. restrs. and SS energy: 0.000 (S_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: 286 Temperature: 0.950000 Total energy: -2652.024683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.024683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.024683 (E_RNA) where: Base-Base interactions energy: -1884.778 where: short stacking energy: -758.088 Base-Backbone interact. energy: -1.300 local terms energy: -765.946467 where: bonds (distance) C4'-P energy: -124.395 bonds (distance) P-C4' energy: -154.469 flat angles C4'-P-C4' energy: -155.351 flat angles P-C4'-P energy: -104.599 tors. eta vs tors. theta energy: -227.134 Dist. restrs. and SS energy: 0.000 (S_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: 286 Temperature: 1.000000 Total energy: -2666.224926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.224926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.224926 (E_RNA) where: Base-Base interactions energy: -1911.238 where: short stacking energy: -756.645 Base-Backbone interact. energy: -1.921 local terms energy: -753.065659 where: bonds (distance) C4'-P energy: -111.143 bonds (distance) P-C4' energy: -151.340 flat angles C4'-P-C4' energy: -151.599 flat angles P-C4'-P energy: -114.337 tors. eta vs tors. theta energy: -224.647 Dist. restrs. and SS energy: 0.000 (S_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: 286 Temperature: 1.050000 Total energy: -2572.037114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.037114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.037114 (E_RNA) where: Base-Base interactions energy: -1821.947 where: short stacking energy: -716.119 Base-Backbone interact. energy: -1.929 local terms energy: -748.161198 where: bonds (distance) C4'-P energy: -114.317 bonds (distance) P-C4' energy: -144.253 flat angles C4'-P-C4' energy: -160.174 flat angles P-C4'-P energy: -108.191 tors. eta vs tors. theta energy: -221.226 Dist. restrs. and SS energy: 0.000 (S_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: 286 Temperature: 1.100000 Total energy: -2505.147161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.147161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.147161 (E_RNA) where: Base-Base interactions energy: -1784.950 where: short stacking energy: -714.835 Base-Backbone interact. energy: -2.072 local terms energy: -718.125262 where: bonds (distance) C4'-P energy: -103.291 bonds (distance) P-C4' energy: -151.380 flat angles C4'-P-C4' energy: -147.636 flat angles P-C4'-P energy: -104.772 tors. eta vs tors. theta energy: -211.045 Dist. restrs. and SS energy: 0.000 (S_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: -2491.220277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.220277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.220277 (E_RNA) where: Base-Base interactions energy: -1759.361 where: short stacking energy: -715.684 Base-Backbone interact. energy: -1.714 local terms energy: -730.145734 where: bonds (distance) C4'-P energy: -110.158 bonds (distance) P-C4' energy: -152.428 flat angles C4'-P-C4' energy: -147.435 flat angles P-C4'-P energy: -102.847 tors. eta vs tors. theta energy: -217.278 Dist. restrs. and SS energy: 0.000 (S_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: 286 Temperature: 1.200000 Total energy: -2347.725857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.725857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.725857 (E_RNA) where: Base-Base interactions energy: -1661.521 where: short stacking energy: -655.144 Base-Backbone interact. energy: -1.056 local terms energy: -685.148489 where: bonds (distance) C4'-P energy: -110.829 bonds (distance) P-C4' energy: -139.480 flat angles C4'-P-C4' energy: -146.511 flat angles P-C4'-P energy: -98.021 tors. eta vs tors. theta energy: -190.308 Dist. restrs. and SS energy: 0.000 (S_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: 286 Temperature: 1.250000 Total energy: -2307.734557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.734557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.734557 (E_RNA) where: Base-Base interactions energy: -1634.397 where: short stacking energy: -657.481 Base-Backbone interact. energy: -2.133 local terms energy: -671.205354 where: bonds (distance) C4'-P energy: -98.735 bonds (distance) P-C4' energy: -143.690 flat angles C4'-P-C4' energy: -138.940 flat angles P-C4'-P energy: -95.837 tors. eta vs tors. theta energy: -194.003 Dist. restrs. and SS energy: 0.000 (S_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: 286 Temperature: 1.300000 Total energy: -2206.341989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.341989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.341989 (E_RNA) where: Base-Base interactions energy: -1525.346 where: short stacking energy: -640.476 Base-Backbone interact. energy: -1.564 local terms energy: -679.432391 where: bonds (distance) C4'-P energy: -106.455 bonds (distance) P-C4' energy: -141.239 flat angles C4'-P-C4' energy: -146.029 flat angles P-C4'-P energy: -92.558 tors. eta vs tors. theta energy: -193.151 Dist. restrs. and SS energy: 0.000 (S_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: 286 Temperature: 1.350000 Total energy: -1974.514961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.514961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.514961 (E_RNA) where: Base-Base interactions energy: -1330.274 where: short stacking energy: -533.129 Base-Backbone interact. energy: 1.152 local terms energy: -645.393752 where: bonds (distance) C4'-P energy: -106.925 bonds (distance) P-C4' energy: -146.583 flat angles C4'-P-C4' energy: -138.214 flat angles P-C4'-P energy: -100.249 tors. eta vs tors. theta energy: -153.422 Dist. restrs. and SS energy: 0.000 (S_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: -2699.497429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.497429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.497429 (E_RNA) where: Base-Base interactions energy: -1926.457 where: short stacking energy: -758.711 Base-Backbone interact. energy: -2.413 local terms energy: -770.628062 where: bonds (distance) C4'-P energy: -114.294 bonds (distance) P-C4' energy: -154.105 flat angles C4'-P-C4' energy: -159.441 flat angles P-C4'-P energy: -117.317 tors. eta vs tors. theta energy: -225.470 Dist. restrs. and SS energy: 0.000 (S_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: 287 Temperature: 0.950000 Total energy: -2678.940359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.940359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.940359 (E_RNA) where: Base-Base interactions energy: -1891.652 where: short stacking energy: -778.376 Base-Backbone interact. energy: -4.167 local terms energy: -783.121426 where: bonds (distance) C4'-P energy: -127.884 bonds (distance) P-C4' energy: -151.262 flat angles C4'-P-C4' energy: -159.225 flat angles P-C4'-P energy: -115.813 tors. eta vs tors. theta energy: -228.937 Dist. restrs. and SS energy: 0.000 (S_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: 287 Temperature: 1.000000 Total energy: -2635.657633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.657633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.657633 (E_RNA) where: Base-Base interactions energy: -1868.482 where: short stacking energy: -755.396 Base-Backbone interact. energy: -4.148 local terms energy: -763.027970 where: bonds (distance) C4'-P energy: -112.490 bonds (distance) P-C4' energy: -145.494 flat angles C4'-P-C4' energy: -161.354 flat angles P-C4'-P energy: -109.716 tors. eta vs tors. theta energy: -233.974 Dist. restrs. and SS energy: 0.000 (S_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: 287 Temperature: 1.050000 Total energy: -2557.095129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.095129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.095129 (E_RNA) where: Base-Base interactions energy: -1808.173 where: short stacking energy: -727.910 Base-Backbone interact. energy: -2.630 local terms energy: -746.292217 where: bonds (distance) C4'-P energy: -112.822 bonds (distance) P-C4' energy: -147.409 flat angles C4'-P-C4' energy: -162.554 flat angles P-C4'-P energy: -107.613 tors. eta vs tors. theta energy: -215.894 Dist. restrs. and SS energy: 0.000 (S_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: 287 Temperature: 1.100000 Total energy: -2523.348620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.348620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.348620 (E_RNA) where: Base-Base interactions energy: -1796.773 where: short stacking energy: -729.039 Base-Backbone interact. energy: -0.609 local terms energy: -725.966756 where: bonds (distance) C4'-P energy: -112.038 bonds (distance) P-C4' energy: -137.640 flat angles C4'-P-C4' energy: -159.558 flat angles P-C4'-P energy: -107.673 tors. eta vs tors. theta energy: -209.057 Dist. restrs. and SS energy: 0.000 (S_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: 287 Temperature: 1.150000 Total energy: -2480.649242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.649242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.649242 (E_RNA) where: Base-Base interactions energy: -1760.928 where: short stacking energy: -708.870 Base-Backbone interact. energy: -0.754 local terms energy: -718.967409 where: bonds (distance) C4'-P energy: -106.071 bonds (distance) P-C4' energy: -143.703 flat angles C4'-P-C4' energy: -153.622 flat angles P-C4'-P energy: -104.878 tors. eta vs tors. theta energy: -210.694 Dist. restrs. and SS energy: 0.000 (S_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: 287 Temperature: 1.200000 Total energy: -2329.270356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.270356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.270356 (E_RNA) where: Base-Base interactions energy: -1623.232 where: short stacking energy: -653.994 Base-Backbone interact. energy: -1.744 local terms energy: -704.294978 where: bonds (distance) C4'-P energy: -104.262 bonds (distance) P-C4' energy: -138.922 flat angles C4'-P-C4' energy: -159.273 flat angles P-C4'-P energy: -108.299 tors. eta vs tors. theta energy: -193.538 Dist. restrs. and SS energy: 0.000 (S_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: 287 Temperature: 1.250000 Total energy: -2320.779529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.779529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.779529 (E_RNA) where: Base-Base interactions energy: -1646.254 where: short stacking energy: -648.064 Base-Backbone interact. energy: 0.739 local terms energy: -675.264328 where: bonds (distance) C4'-P energy: -99.110 bonds (distance) P-C4' energy: -151.205 flat angles C4'-P-C4' energy: -142.501 flat angles P-C4'-P energy: -93.482 tors. eta vs tors. theta energy: -188.967 Dist. restrs. and SS energy: 0.000 (S_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: 287 Temperature: 1.300000 Total energy: -2236.644272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.644272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.644272 (E_RNA) where: Base-Base interactions energy: -1569.552 where: short stacking energy: -629.127 Base-Backbone interact. energy: -1.537 local terms energy: -665.554771 where: bonds (distance) C4'-P energy: -99.480 bonds (distance) P-C4' energy: -132.719 flat angles C4'-P-C4' energy: -148.934 flat angles P-C4'-P energy: -105.517 tors. eta vs tors. theta energy: -178.904 Dist. restrs. and SS energy: 0.000 (S_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: 287 Temperature: 1.350000 Total energy: -1981.460059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.460059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.460059 (E_RNA) where: Base-Base interactions energy: -1352.734 where: short stacking energy: -558.540 Base-Backbone interact. energy: -1.314 local terms energy: -627.411949 where: bonds (distance) C4'-P energy: -104.704 bonds (distance) P-C4' energy: -152.232 flat angles C4'-P-C4' energy: -131.287 flat angles P-C4'-P energy: -89.162 tors. eta vs tors. theta energy: -150.028 Dist. restrs. and SS energy: 0.000 (S_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: 288 Temperature: 0.900000 Total energy: -2715.617116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.617116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.617116 (E_RNA) where: Base-Base interactions energy: -1920.316 where: short stacking energy: -762.313 Base-Backbone interact. energy: -2.975 local terms energy: -792.326166 where: bonds (distance) C4'-P energy: -116.360 bonds (distance) P-C4' energy: -160.486 flat angles C4'-P-C4' energy: -170.516 flat angles P-C4'-P energy: -114.019 tors. eta vs tors. theta energy: -230.945 Dist. restrs. and SS energy: 0.000 (S_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: 288 Temperature: 0.950000 Total energy: -2675.834513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.834513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.834513 (E_RNA) where: Base-Base interactions energy: -1894.996 where: short stacking energy: -745.144 Base-Backbone interact. energy: -1.943 local terms energy: -778.895384 where: bonds (distance) C4'-P energy: -125.543 bonds (distance) P-C4' energy: -152.703 flat angles C4'-P-C4' energy: -160.541 flat angles P-C4'-P energy: -117.933 tors. eta vs tors. theta energy: -222.175 Dist. restrs. and SS energy: 0.000 (S_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: 288 Temperature: 1.000000 Total energy: -2626.817234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.817234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.817234 (E_RNA) where: Base-Base interactions energy: -1855.795 where: short stacking energy: -747.975 Base-Backbone interact. energy: -1.300 local terms energy: -769.722609 where: bonds (distance) C4'-P energy: -124.494 bonds (distance) P-C4' energy: -149.883 flat angles C4'-P-C4' energy: -157.572 flat angles P-C4'-P energy: -111.524 tors. eta vs tors. theta energy: -226.251 Dist. restrs. and SS energy: 0.000 (S_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: 288 Temperature: 1.050000 Total energy: -2576.124308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.124308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.124308 (E_RNA) where: Base-Base interactions energy: -1810.386 where: short stacking energy: -745.168 Base-Backbone interact. energy: -0.349 local terms energy: -765.389646 where: bonds (distance) C4'-P energy: -125.722 bonds (distance) P-C4' energy: -142.915 flat angles C4'-P-C4' energy: -156.186 flat angles P-C4'-P energy: -111.464 tors. eta vs tors. theta energy: -229.104 Dist. restrs. and SS energy: 0.000 (S_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: 288 Temperature: 1.100000 Total energy: -2545.888797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.888797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.888797 (E_RNA) where: Base-Base interactions energy: -1811.519 where: short stacking energy: -722.137 Base-Backbone interact. energy: -1.407 local terms energy: -732.962033 where: bonds (distance) C4'-P energy: -105.058 bonds (distance) P-C4' energy: -160.363 flat angles C4'-P-C4' energy: -150.754 flat angles P-C4'-P energy: -101.244 tors. eta vs tors. theta energy: -215.543 Dist. restrs. and SS energy: 0.000 (S_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: 288 Temperature: 1.150000 Total energy: -2448.977203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.977203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.977203 (E_RNA) where: Base-Base interactions energy: -1751.927 where: short stacking energy: -679.746 Base-Backbone interact. energy: -1.485 local terms energy: -695.565977 where: bonds (distance) C4'-P energy: -94.224 bonds (distance) P-C4' energy: -127.609 flat angles C4'-P-C4' energy: -157.369 flat angles P-C4'-P energy: -106.180 tors. eta vs tors. theta energy: -210.183 Dist. restrs. and SS energy: 0.000 (S_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: -2318.029174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.029174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.029174 (E_RNA) where: Base-Base interactions energy: -1636.344 where: short stacking energy: -656.234 Base-Backbone interact. energy: -1.496 local terms energy: -680.188795 where: bonds (distance) C4'-P energy: -109.744 bonds (distance) P-C4' energy: -137.660 flat angles C4'-P-C4' energy: -139.558 flat angles P-C4'-P energy: -101.740 tors. eta vs tors. theta energy: -191.487 Dist. restrs. and SS energy: 0.000 (S_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: 288 Temperature: 1.250000 Total energy: -2358.851117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.851117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.851117 (E_RNA) where: Base-Base interactions energy: -1660.788 where: short stacking energy: -664.488 Base-Backbone interact. energy: -1.447 local terms energy: -696.615298 where: bonds (distance) C4'-P energy: -118.983 bonds (distance) P-C4' energy: -129.366 flat angles C4'-P-C4' energy: -147.952 flat angles P-C4'-P energy: -100.562 tors. eta vs tors. theta energy: -199.752 Dist. restrs. and SS energy: 0.000 (S_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: -2226.103972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.103972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.103972 (E_RNA) where: Base-Base interactions energy: -1560.255 where: short stacking energy: -614.341 Base-Backbone interact. energy: -3.251 local terms energy: -662.598318 where: bonds (distance) C4'-P energy: -115.766 bonds (distance) P-C4' energy: -146.544 flat angles C4'-P-C4' energy: -134.744 flat angles P-C4'-P energy: -84.015 tors. eta vs tors. theta energy: -181.529 Dist. restrs. and SS energy: 0.000 (S_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: 288 Temperature: 1.350000 Total energy: -1969.594853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.594853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.594853 (E_RNA) where: Base-Base interactions energy: -1363.212 where: short stacking energy: -577.672 Base-Backbone interact. energy: -0.048 local terms energy: -606.334327 where: bonds (distance) C4'-P energy: -113.959 bonds (distance) P-C4' energy: -123.868 flat angles C4'-P-C4' energy: -125.382 flat angles P-C4'-P energy: -95.803 tors. eta vs tors. theta energy: -147.322 Dist. restrs. and SS energy: 0.000 (S_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: 289 Temperature: 0.900000 Total energy: -2708.969192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.969192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.969192 (E_RNA) where: Base-Base interactions energy: -1924.536 where: short stacking energy: -759.105 Base-Backbone interact. energy: -3.556 local terms energy: -780.876620 where: bonds (distance) C4'-P energy: -126.011 bonds (distance) P-C4' energy: -155.003 flat angles C4'-P-C4' energy: -158.029 flat angles P-C4'-P energy: -114.881 tors. eta vs tors. theta energy: -226.954 Dist. restrs. and SS energy: 0.000 (S_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: 289 Temperature: 0.950000 Total energy: -2666.628398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.628398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.628398 (E_RNA) where: Base-Base interactions energy: -1897.340 where: short stacking energy: -756.751 Base-Backbone interact. energy: -2.830 local terms energy: -766.457603 where: bonds (distance) C4'-P energy: -110.820 bonds (distance) P-C4' energy: -160.032 flat angles C4'-P-C4' energy: -161.257 flat angles P-C4'-P energy: -107.735 tors. eta vs tors. theta energy: -226.614 Dist. restrs. and SS energy: 0.000 (S_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: 289 Temperature: 1.000000 Total energy: -2632.132958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.132958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.132958 (E_RNA) where: Base-Base interactions energy: -1868.531 where: short stacking energy: -747.199 Base-Backbone interact. energy: -2.241 local terms energy: -761.361758 where: bonds (distance) C4'-P energy: -111.935 bonds (distance) P-C4' energy: -154.141 flat angles C4'-P-C4' energy: -155.385 flat angles P-C4'-P energy: -113.635 tors. eta vs tors. theta energy: -226.266 Dist. restrs. and SS energy: 0.000 (S_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: 289 Temperature: 1.050000 Total energy: -2583.785745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.785745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.785745 (E_RNA) where: Base-Base interactions energy: -1832.824 where: short stacking energy: -737.993 Base-Backbone interact. energy: -1.982 local terms energy: -748.978873 where: bonds (distance) C4'-P energy: -110.804 bonds (distance) P-C4' energy: -155.703 flat angles C4'-P-C4' energy: -150.559 flat angles P-C4'-P energy: -115.663 tors. eta vs tors. theta energy: -216.250 Dist. restrs. and SS energy: 0.000 (S_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: 289 Temperature: 1.100000 Total energy: -2535.660936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.660936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.660936 (E_RNA) where: Base-Base interactions energy: -1810.426 where: short stacking energy: -744.511 Base-Backbone interact. energy: -1.039 local terms energy: -724.195827 where: bonds (distance) C4'-P energy: -109.247 bonds (distance) P-C4' energy: -136.465 flat angles C4'-P-C4' energy: -154.851 flat angles P-C4'-P energy: -99.267 tors. eta vs tors. theta energy: -224.366 Dist. restrs. and SS energy: 0.000 (S_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: 289 Temperature: 1.150000 Total energy: -2451.517123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.517123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.517123 (E_RNA) where: Base-Base interactions energy: -1735.086 where: short stacking energy: -700.450 Base-Backbone interact. energy: -1.892 local terms energy: -714.538931 where: bonds (distance) C4'-P energy: -116.880 bonds (distance) P-C4' energy: -120.452 flat angles C4'-P-C4' energy: -158.374 flat angles P-C4'-P energy: -105.604 tors. eta vs tors. theta energy: -213.229 Dist. restrs. and SS energy: 0.000 (S_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: 289 Temperature: 1.200000 Total energy: -2325.727942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.727942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.727942 (E_RNA) where: Base-Base interactions energy: -1629.170 where: short stacking energy: -660.252 Base-Backbone interact. energy: -1.738 local terms energy: -694.820257 where: bonds (distance) C4'-P energy: -105.050 bonds (distance) P-C4' energy: -142.848 flat angles C4'-P-C4' energy: -152.623 flat angles P-C4'-P energy: -108.480 tors. eta vs tors. theta energy: -185.820 Dist. restrs. and SS energy: 0.000 (S_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: 289 Temperature: 1.250000 Total energy: -2347.046376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.046376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.046376 (E_RNA) where: Base-Base interactions energy: -1661.545 where: short stacking energy: -669.490 Base-Backbone interact. energy: -2.693 local terms energy: -682.808645 where: bonds (distance) C4'-P energy: -115.439 bonds (distance) P-C4' energy: -144.531 flat angles C4'-P-C4' energy: -128.738 flat angles P-C4'-P energy: -95.507 tors. eta vs tors. theta energy: -198.594 Dist. restrs. and SS energy: 0.000 (S_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: 289 Temperature: 1.300000 Total energy: -2230.000413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.000413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.000413 (E_RNA) where: Base-Base interactions energy: -1562.409 where: short stacking energy: -625.939 Base-Backbone interact. energy: -1.820 local terms energy: -665.771039 where: bonds (distance) C4'-P energy: -97.234 bonds (distance) P-C4' energy: -140.763 flat angles C4'-P-C4' energy: -149.285 flat angles P-C4'-P energy: -92.131 tors. eta vs tors. theta energy: -186.358 Dist. restrs. and SS energy: 0.000 (S_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: 289 Temperature: 1.350000 Total energy: -1956.903145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.903145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.903145 (E_RNA) where: Base-Base interactions energy: -1338.596 where: short stacking energy: -554.529 Base-Backbone interact. energy: -1.248 local terms energy: -617.058475 where: bonds (distance) C4'-P energy: -113.570 bonds (distance) P-C4' energy: -131.410 flat angles C4'-P-C4' energy: -129.281 flat angles P-C4'-P energy: -88.155 tors. eta vs tors. theta energy: -154.643 Dist. restrs. and SS energy: 0.000 (S_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: 290 Temperature: 0.900000 Total energy: -2711.601779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.601779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.601779 (E_RNA) where: Base-Base interactions energy: -1945.017 where: short stacking energy: -760.998 Base-Backbone interact. energy: -2.459 local terms energy: -764.125985 where: bonds (distance) C4'-P energy: -122.843 bonds (distance) P-C4' energy: -147.415 flat angles C4'-P-C4' energy: -154.135 flat angles P-C4'-P energy: -114.660 tors. eta vs tors. theta energy: -225.073 Dist. restrs. and SS energy: 0.000 (S_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: 290 Temperature: 0.950000 Total energy: -2673.596383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.596383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.596383 (E_RNA) where: Base-Base interactions energy: -1899.746 where: short stacking energy: -758.113 Base-Backbone interact. energy: -2.405 local terms energy: -771.445841 where: bonds (distance) C4'-P energy: -122.133 bonds (distance) P-C4' energy: -147.172 flat angles C4'-P-C4' energy: -157.903 flat angles P-C4'-P energy: -115.238 tors. eta vs tors. theta energy: -229.000 Dist. restrs. and SS energy: 0.000 (S_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: 290 Temperature: 1.000000 Total energy: -2588.773969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.773969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.773969 (E_RNA) where: Base-Base interactions energy: -1846.038 where: short stacking energy: -757.168 Base-Backbone interact. energy: -2.209 local terms energy: -740.527171 where: bonds (distance) C4'-P energy: -114.622 bonds (distance) P-C4' energy: -137.094 flat angles C4'-P-C4' energy: -156.306 flat angles P-C4'-P energy: -99.796 tors. eta vs tors. theta energy: -232.709 Dist. restrs. and SS energy: 0.000 (S_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: 290 Temperature: 1.050000 Total energy: -2598.245916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.245916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.245916 (E_RNA) where: Base-Base interactions energy: -1849.258 where: short stacking energy: -744.059 Base-Backbone interact. energy: -0.834 local terms energy: -748.153348 where: bonds (distance) C4'-P energy: -119.819 bonds (distance) P-C4' energy: -148.554 flat angles C4'-P-C4' energy: -155.390 flat angles P-C4'-P energy: -101.318 tors. eta vs tors. theta energy: -223.073 Dist. restrs. and SS energy: 0.000 (S_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: 290 Temperature: 1.100000 Total energy: -2553.816382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.816382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.816382 (E_RNA) where: Base-Base interactions energy: -1806.602 where: short stacking energy: -750.103 Base-Backbone interact. energy: -2.095 local terms energy: -745.118724 where: bonds (distance) C4'-P energy: -105.260 bonds (distance) P-C4' energy: -148.397 flat angles C4'-P-C4' energy: -158.757 flat angles P-C4'-P energy: -104.478 tors. eta vs tors. theta energy: -228.226 Dist. restrs. and SS energy: 0.000 (S_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: 290 Temperature: 1.150000 Total energy: -2452.806287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.806287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.806287 (E_RNA) where: Base-Base interactions energy: -1711.203 where: short stacking energy: -699.772 Base-Backbone interact. energy: 0.479 local terms energy: -742.082713 where: bonds (distance) C4'-P energy: -122.982 bonds (distance) P-C4' energy: -155.476 flat angles C4'-P-C4' energy: -158.541 flat angles P-C4'-P energy: -103.907 tors. eta vs tors. theta energy: -201.177 Dist. restrs. and SS energy: 0.000 (S_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: 290 Temperature: 1.200000 Total energy: -2357.501554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.501554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.501554 (E_RNA) where: Base-Base interactions energy: -1686.713 where: short stacking energy: -671.269 Base-Backbone interact. energy: -0.974 local terms energy: -669.814828 where: bonds (distance) C4'-P energy: -116.552 bonds (distance) P-C4' energy: -132.999 flat angles C4'-P-C4' energy: -133.055 flat angles P-C4'-P energy: -95.683 tors. eta vs tors. theta energy: -191.526 Dist. restrs. and SS energy: 0.000 (S_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: 290 Temperature: 1.250000 Total energy: -2345.962184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.962184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.962184 (E_RNA) where: Base-Base interactions energy: -1646.680 where: short stacking energy: -660.392 Base-Backbone interact. energy: 3.000 local terms energy: -702.282955 where: bonds (distance) C4'-P energy: -106.090 bonds (distance) P-C4' energy: -147.398 flat angles C4'-P-C4' energy: -158.278 flat angles P-C4'-P energy: -92.506 tors. eta vs tors. theta energy: -198.011 Dist. restrs. and SS energy: 0.000 (S_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: 290 Temperature: 1.300000 Total energy: -2233.693726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.693726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.693726 (E_RNA) where: Base-Base interactions energy: -1569.097 where: short stacking energy: -631.583 Base-Backbone interact. energy: -1.525 local terms energy: -663.071889 where: bonds (distance) C4'-P energy: -93.110 bonds (distance) P-C4' energy: -145.476 flat angles C4'-P-C4' energy: -152.116 flat angles P-C4'-P energy: -84.467 tors. eta vs tors. theta energy: -187.902 Dist. restrs. and SS energy: 0.000 (S_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: 290 Temperature: 1.350000 Total energy: -1939.363325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.363325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.363325 (E_RNA) where: Base-Base interactions energy: -1314.041 where: short stacking energy: -569.005 Base-Backbone interact. energy: -1.298 local terms energy: -624.024123 where: bonds (distance) C4'-P energy: -106.547 bonds (distance) P-C4' energy: -138.463 flat angles C4'-P-C4' energy: -132.099 flat angles P-C4'-P energy: -89.100 tors. eta vs tors. theta energy: -157.815 Dist. restrs. and SS energy: 0.000 (S_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: 291 Temperature: 0.900000 Total energy: -2722.106030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.106030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.106030 (E_RNA) where: Base-Base interactions energy: -1940.737 where: short stacking energy: -758.570 Base-Backbone interact. energy: -3.885 local terms energy: -777.483911 where: bonds (distance) C4'-P energy: -124.356 bonds (distance) P-C4' energy: -153.712 flat angles C4'-P-C4' energy: -161.873 flat angles P-C4'-P energy: -111.019 tors. eta vs tors. theta energy: -226.525 Dist. restrs. and SS energy: 0.000 (S_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: 291 Temperature: 0.950000 Total energy: -2668.556515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.556515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.556515 (E_RNA) where: Base-Base interactions energy: -1912.304 where: short stacking energy: -758.076 Base-Backbone interact. energy: 3.099 local terms energy: -759.351408 where: bonds (distance) C4'-P energy: -115.076 bonds (distance) P-C4' energy: -140.998 flat angles C4'-P-C4' energy: -155.945 flat angles P-C4'-P energy: -115.828 tors. eta vs tors. theta energy: -231.504 Dist. restrs. and SS energy: 0.000 (S_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: 291 Temperature: 1.000000 Total energy: -2597.474035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.474035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.474035 (E_RNA) where: Base-Base interactions energy: -1830.839 where: short stacking energy: -737.819 Base-Backbone interact. energy: -2.015 local terms energy: -764.620364 where: bonds (distance) C4'-P energy: -128.563 bonds (distance) P-C4' energy: -156.780 flat angles C4'-P-C4' energy: -148.678 flat angles P-C4'-P energy: -107.031 tors. eta vs tors. theta energy: -223.569 Dist. restrs. and SS energy: 0.000 (S_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: 291 Temperature: 1.050000 Total energy: -2576.136134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.136134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.136134 (E_RNA) where: Base-Base interactions energy: -1827.025 where: short stacking energy: -744.839 Base-Backbone interact. energy: -1.463 local terms energy: -747.647399 where: bonds (distance) C4'-P energy: -120.650 bonds (distance) P-C4' energy: -136.680 flat angles C4'-P-C4' energy: -161.580 flat angles P-C4'-P energy: -105.864 tors. eta vs tors. theta energy: -222.873 Dist. restrs. and SS energy: 0.000 (S_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: 291 Temperature: 1.100000 Total energy: -2554.425822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.425822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.425822 (E_RNA) where: Base-Base interactions energy: -1811.940 where: short stacking energy: -744.311 Base-Backbone interact. energy: -2.245 local terms energy: -740.240893 where: bonds (distance) C4'-P energy: -119.426 bonds (distance) P-C4' energy: -140.711 flat angles C4'-P-C4' energy: -160.189 flat angles P-C4'-P energy: -94.226 tors. eta vs tors. theta energy: -225.690 Dist. restrs. and SS energy: 0.000 (S_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: 291 Temperature: 1.150000 Total energy: -2450.044895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.044895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.044895 (E_RNA) where: Base-Base interactions energy: -1733.047 where: short stacking energy: -683.587 Base-Backbone interact. energy: -1.710 local terms energy: -715.288056 where: bonds (distance) C4'-P energy: -116.472 bonds (distance) P-C4' energy: -135.050 flat angles C4'-P-C4' energy: -153.903 flat angles P-C4'-P energy: -109.371 tors. eta vs tors. theta energy: -200.493 Dist. restrs. and SS energy: 0.000 (S_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: 291 Temperature: 1.200000 Total energy: -2344.661346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.661346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.661346 (E_RNA) where: Base-Base interactions energy: -1656.802 where: short stacking energy: -676.632 Base-Backbone interact. energy: -0.404 local terms energy: -687.455395 where: bonds (distance) C4'-P energy: -117.651 bonds (distance) P-C4' energy: -130.661 flat angles C4'-P-C4' energy: -148.576 flat angles P-C4'-P energy: -94.144 tors. eta vs tors. theta energy: -196.423 Dist. restrs. and SS energy: 0.000 (S_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: 291 Temperature: 1.250000 Total energy: -2354.003204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.003204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.003204 (E_RNA) where: Base-Base interactions energy: -1655.209 where: short stacking energy: -682.047 Base-Backbone interact. energy: -1.527 local terms energy: -697.266693 where: bonds (distance) C4'-P energy: -116.488 bonds (distance) P-C4' energy: -130.903 flat angles C4'-P-C4' energy: -151.410 flat angles P-C4'-P energy: -96.498 tors. eta vs tors. theta energy: -201.967 Dist. restrs. and SS energy: 0.000 (S_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: 291 Temperature: 1.300000 Total energy: -2225.923393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.923393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.923393 (E_RNA) where: Base-Base interactions energy: -1567.237 where: short stacking energy: -641.491 Base-Backbone interact. energy: 0.943 local terms energy: -659.629155 where: bonds (distance) C4'-P energy: -104.499 bonds (distance) P-C4' energy: -131.877 flat angles C4'-P-C4' energy: -143.566 flat angles P-C4'-P energy: -93.665 tors. eta vs tors. theta energy: -186.022 Dist. restrs. and SS energy: 0.000 (S_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: 291 Temperature: 1.350000 Total energy: -1934.025434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.025434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.025434 (E_RNA) where: Base-Base interactions energy: -1327.912 where: short stacking energy: -558.274 Base-Backbone interact. energy: -0.858 local terms energy: -605.255966 where: bonds (distance) C4'-P energy: -94.791 bonds (distance) P-C4' energy: -133.486 flat angles C4'-P-C4' energy: -138.636 flat angles P-C4'-P energy: -91.102 tors. eta vs tors. theta energy: -147.241 Dist. restrs. and SS energy: 0.000 (S_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: 292 Temperature: 0.900000 Total energy: -2719.123856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.123856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.123856 (E_RNA) where: Base-Base interactions energy: -1958.176 where: short stacking energy: -771.643 Base-Backbone interact. energy: -2.047 local terms energy: -758.900042 where: bonds (distance) C4'-P energy: -107.391 bonds (distance) P-C4' energy: -152.688 flat angles C4'-P-C4' energy: -162.238 flat angles P-C4'-P energy: -108.416 tors. eta vs tors. theta energy: -228.167 Dist. restrs. and SS energy: 0.000 (S_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: 292 Temperature: 0.950000 Total energy: -2698.617000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.617000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.617000 (E_RNA) where: Base-Base interactions energy: -1926.451 where: short stacking energy: -746.905 Base-Backbone interact. energy: -4.463 local terms energy: -767.702307 where: bonds (distance) C4'-P energy: -114.488 bonds (distance) P-C4' energy: -150.787 flat angles C4'-P-C4' energy: -160.728 flat angles P-C4'-P energy: -115.089 tors. eta vs tors. theta energy: -226.610 Dist. restrs. and SS energy: 0.000 (S_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: 292 Temperature: 1.000000 Total energy: -2638.458487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.458487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.458487 (E_RNA) where: Base-Base interactions energy: -1866.283 where: short stacking energy: -757.708 Base-Backbone interact. energy: 0.266 local terms energy: -772.441643 where: bonds (distance) C4'-P energy: -120.576 bonds (distance) P-C4' energy: -143.971 flat angles C4'-P-C4' energy: -163.001 flat angles P-C4'-P energy: -112.243 tors. eta vs tors. theta energy: -232.651 Dist. restrs. and SS energy: 0.000 (S_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: 292 Temperature: 1.050000 Total energy: -2559.661104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.661104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.661104 (E_RNA) where: Base-Base interactions energy: -1807.125 where: short stacking energy: -728.698 Base-Backbone interact. energy: -1.493 local terms energy: -751.042749 where: bonds (distance) C4'-P energy: -120.772 bonds (distance) P-C4' energy: -144.730 flat angles C4'-P-C4' energy: -153.223 flat angles P-C4'-P energy: -106.332 tors. eta vs tors. theta energy: -225.987 Dist. restrs. and SS energy: 0.000 (S_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: 292 Temperature: 1.100000 Total energy: -2540.615061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.615061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.615061 (E_RNA) where: Base-Base interactions energy: -1833.117 where: short stacking energy: -736.342 Base-Backbone interact. energy: -1.118 local terms energy: -706.380261 where: bonds (distance) C4'-P energy: -103.951 bonds (distance) P-C4' energy: -127.197 flat angles C4'-P-C4' energy: -151.831 flat angles P-C4'-P energy: -102.311 tors. eta vs tors. theta energy: -221.089 Dist. restrs. and SS energy: 0.000 (S_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: 292 Temperature: 1.150000 Total energy: -2487.223264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.223264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.223264 (E_RNA) where: Base-Base interactions energy: -1772.682 where: short stacking energy: -728.514 Base-Backbone interact. energy: -1.024 local terms energy: -713.517587 where: bonds (distance) C4'-P energy: -113.047 bonds (distance) P-C4' energy: -135.609 flat angles C4'-P-C4' energy: -155.057 flat angles P-C4'-P energy: -95.932 tors. eta vs tors. theta energy: -213.873 Dist. restrs. and SS energy: 0.000 (S_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: 292 Temperature: 1.200000 Total energy: -2342.721345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.721345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.721345 (E_RNA) where: Base-Base interactions energy: -1659.259 where: short stacking energy: -663.357 Base-Backbone interact. energy: -0.393 local terms energy: -683.069397 where: bonds (distance) C4'-P energy: -97.479 bonds (distance) P-C4' energy: -131.782 flat angles C4'-P-C4' energy: -154.710 flat angles P-C4'-P energy: -100.718 tors. eta vs tors. theta energy: -198.380 Dist. restrs. and SS energy: 0.000 (S_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: -2338.526372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.526372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.526372 (E_RNA) where: Base-Base interactions energy: -1637.596 where: short stacking energy: -662.092 Base-Backbone interact. energy: -1.648 local terms energy: -699.282454 where: bonds (distance) C4'-P energy: -104.253 bonds (distance) P-C4' energy: -150.818 flat angles C4'-P-C4' energy: -151.264 flat angles P-C4'-P energy: -98.508 tors. eta vs tors. theta energy: -194.441 Dist. restrs. and SS energy: 0.000 (S_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: 292 Temperature: 1.300000 Total energy: -2226.509524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.509524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.509524 (E_RNA) where: Base-Base interactions energy: -1567.569 where: short stacking energy: -632.549 Base-Backbone interact. energy: -0.992 local terms energy: -657.948507 where: bonds (distance) C4'-P energy: -89.874 bonds (distance) P-C4' energy: -135.658 flat angles C4'-P-C4' energy: -141.866 flat angles P-C4'-P energy: -102.555 tors. eta vs tors. theta energy: -187.996 Dist. restrs. and SS energy: 0.000 (S_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: 292 Temperature: 1.350000 Total energy: -1922.433474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.433474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.433474 (E_RNA) where: Base-Base interactions energy: -1295.700 where: short stacking energy: -549.164 Base-Backbone interact. energy: -0.456 local terms energy: -626.278068 where: bonds (distance) C4'-P energy: -116.003 bonds (distance) P-C4' energy: -132.223 flat angles C4'-P-C4' energy: -133.067 flat angles P-C4'-P energy: -90.667 tors. eta vs tors. theta energy: -154.317 Dist. restrs. and SS energy: 0.000 (S_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: 293 Temperature: 0.900000 Total energy: -2708.697327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.697327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.697327 (E_RNA) where: Base-Base interactions energy: -1943.100 where: short stacking energy: -765.242 Base-Backbone interact. energy: -2.044 local terms energy: -763.553039 where: bonds (distance) C4'-P energy: -122.384 bonds (distance) P-C4' energy: -143.766 flat angles C4'-P-C4' energy: -159.344 flat angles P-C4'-P energy: -116.479 tors. eta vs tors. theta energy: -221.580 Dist. restrs. and SS energy: 0.000 (S_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: 293 Temperature: 0.950000 Total energy: -2689.360841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.360841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.360841 (E_RNA) where: Base-Base interactions energy: -1907.671 where: short stacking energy: -746.653 Base-Backbone interact. energy: -0.498 local terms energy: -781.192048 where: bonds (distance) C4'-P energy: -125.417 bonds (distance) P-C4' energy: -156.044 flat angles C4'-P-C4' energy: -164.076 flat angles P-C4'-P energy: -109.986 tors. eta vs tors. theta energy: -225.668 Dist. restrs. and SS energy: 0.000 (S_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: 293 Temperature: 1.000000 Total energy: -2634.538025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.538025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.538025 (E_RNA) where: Base-Base interactions energy: -1862.874 where: short stacking energy: -733.306 Base-Backbone interact. energy: -1.958 local terms energy: -769.706054 where: bonds (distance) C4'-P energy: -117.195 bonds (distance) P-C4' energy: -154.990 flat angles C4'-P-C4' energy: -158.731 flat angles P-C4'-P energy: -110.420 tors. eta vs tors. theta energy: -228.370 Dist. restrs. and SS energy: 0.000 (S_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: 293 Temperature: 1.050000 Total energy: -2541.078450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.078450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.078450 (E_RNA) where: Base-Base interactions energy: -1808.941 where: short stacking energy: -733.303 Base-Backbone interact. energy: -1.851 local terms energy: -730.286495 where: bonds (distance) C4'-P energy: -111.778 bonds (distance) P-C4' energy: -145.993 flat angles C4'-P-C4' energy: -152.130 flat angles P-C4'-P energy: -102.673 tors. eta vs tors. theta energy: -217.712 Dist. restrs. and SS energy: 0.000 (S_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: 293 Temperature: 1.100000 Total energy: -2528.994820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.994820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.994820 (E_RNA) where: Base-Base interactions energy: -1780.058 where: short stacking energy: -737.114 Base-Backbone interact. energy: -1.255 local terms energy: -747.682076 where: bonds (distance) C4'-P energy: -113.272 bonds (distance) P-C4' energy: -140.738 flat angles C4'-P-C4' energy: -160.174 flat angles P-C4'-P energy: -110.102 tors. eta vs tors. theta energy: -223.396 Dist. restrs. and SS energy: 0.000 (S_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: 293 Temperature: 1.150000 Total energy: -2433.437839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.437839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.437839 (E_RNA) where: Base-Base interactions energy: -1721.521 where: short stacking energy: -694.963 Base-Backbone interact. energy: 1.836 local terms energy: -713.753338 where: bonds (distance) C4'-P energy: -123.814 bonds (distance) P-C4' energy: -148.308 flat angles C4'-P-C4' energy: -143.395 flat angles P-C4'-P energy: -96.015 tors. eta vs tors. theta energy: -202.221 Dist. restrs. and SS energy: 0.000 (S_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: 293 Temperature: 1.200000 Total energy: -2317.082771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.082771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.082771 (E_RNA) where: Base-Base interactions energy: -1649.112 where: short stacking energy: -652.142 Base-Backbone interact. energy: -1.856 local terms energy: -666.114960 where: bonds (distance) C4'-P energy: -96.939 bonds (distance) P-C4' energy: -128.354 flat angles C4'-P-C4' energy: -148.445 flat angles P-C4'-P energy: -101.783 tors. eta vs tors. theta energy: -190.593 Dist. restrs. and SS energy: 0.000 (S_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: 293 Temperature: 1.250000 Total energy: -2339.922903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.922903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.922903 (E_RNA) where: Base-Base interactions energy: -1677.706 where: short stacking energy: -685.396 Base-Backbone interact. energy: -1.025 local terms energy: -661.191525 where: bonds (distance) C4'-P energy: -98.709 bonds (distance) P-C4' energy: -127.576 flat angles C4'-P-C4' energy: -156.498 flat angles P-C4'-P energy: -85.320 tors. eta vs tors. theta energy: -193.087 Dist. restrs. and SS energy: 0.000 (S_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: 293 Temperature: 1.300000 Total energy: -2220.944594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.944594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.944594 (E_RNA) where: Base-Base interactions energy: -1555.195 where: short stacking energy: -630.939 Base-Backbone interact. energy: -2.487 local terms energy: -663.262781 where: bonds (distance) C4'-P energy: -110.936 bonds (distance) P-C4' energy: -144.654 flat angles C4'-P-C4' energy: -142.605 flat angles P-C4'-P energy: -81.458 tors. eta vs tors. theta energy: -183.611 Dist. restrs. and SS energy: 0.000 (S_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: 293 Temperature: 1.350000 Total energy: -1942.626197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.626197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.626197 (E_RNA) where: Base-Base interactions energy: -1318.474 where: short stacking energy: -535.716 Base-Backbone interact. energy: 0.753 local terms energy: -624.904433 where: bonds (distance) C4'-P energy: -104.250 bonds (distance) P-C4' energy: -136.219 flat angles C4'-P-C4' energy: -139.757 flat angles P-C4'-P energy: -97.089 tors. eta vs tors. theta energy: -147.589 Dist. restrs. and SS energy: 0.000 (S_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: 294 Temperature: 0.900000 Total energy: -2705.745705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.745705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.745705 (E_RNA) where: Base-Base interactions energy: -1922.363 where: short stacking energy: -757.792 Base-Backbone interact. energy: 0.129 local terms energy: -783.511670 where: bonds (distance) C4'-P energy: -127.301 bonds (distance) P-C4' energy: -148.638 flat angles C4'-P-C4' energy: -166.671 flat angles P-C4'-P energy: -114.128 tors. eta vs tors. theta energy: -226.774 Dist. restrs. and SS energy: 0.000 (S_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: 294 Temperature: 0.950000 Total energy: -2682.394830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.394830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.394830 (E_RNA) where: Base-Base interactions energy: -1924.641 where: short stacking energy: -761.421 Base-Backbone interact. energy: -3.728 local terms energy: -754.025213 where: bonds (distance) C4'-P energy: -116.098 bonds (distance) P-C4' energy: -157.282 flat angles C4'-P-C4' energy: -156.181 flat angles P-C4'-P energy: -97.598 tors. eta vs tors. theta energy: -226.866 Dist. restrs. and SS energy: 0.000 (S_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: 294 Temperature: 1.000000 Total energy: -2637.153192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.153192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.153192 (E_RNA) where: Base-Base interactions energy: -1876.037 where: short stacking energy: -754.511 Base-Backbone interact. energy: -1.929 local terms energy: -759.187949 where: bonds (distance) C4'-P energy: -113.851 bonds (distance) P-C4' energy: -137.099 flat angles C4'-P-C4' energy: -160.839 flat angles P-C4'-P energy: -118.701 tors. eta vs tors. theta energy: -228.698 Dist. restrs. and SS energy: 0.000 (S_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: 294 Temperature: 1.050000 Total energy: -2534.021412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.021412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.021412 (E_RNA) where: Base-Base interactions energy: -1782.401 where: short stacking energy: -723.611 Base-Backbone interact. energy: -2.602 local terms energy: -749.018395 where: bonds (distance) C4'-P energy: -113.219 bonds (distance) P-C4' energy: -152.122 flat angles C4'-P-C4' energy: -159.459 flat angles P-C4'-P energy: -105.722 tors. eta vs tors. theta energy: -218.496 Dist. restrs. and SS energy: 0.000 (S_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: 294 Temperature: 1.100000 Total energy: -2509.560679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.560679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.560679 (E_RNA) where: Base-Base interactions energy: -1772.956 where: short stacking energy: -731.580 Base-Backbone interact. energy: -0.895 local terms energy: -735.708825 where: bonds (distance) C4'-P energy: -108.564 bonds (distance) P-C4' energy: -152.332 flat angles C4'-P-C4' energy: -150.329 flat angles P-C4'-P energy: -100.031 tors. eta vs tors. theta energy: -224.453 Dist. restrs. and SS energy: 0.000 (S_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: 294 Temperature: 1.150000 Total energy: -2470.232217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.232217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.232217 (E_RNA) where: Base-Base interactions energy: -1742.817 where: short stacking energy: -695.306 Base-Backbone interact. energy: -2.591 local terms energy: -724.824335 where: bonds (distance) C4'-P energy: -111.748 bonds (distance) P-C4' energy: -143.757 flat angles C4'-P-C4' energy: -153.860 flat angles P-C4'-P energy: -110.310 tors. eta vs tors. theta energy: -205.150 Dist. restrs. and SS energy: 0.000 (S_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: 294 Temperature: 1.200000 Total energy: -2344.395054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.395054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.395054 (E_RNA) where: Base-Base interactions energy: -1673.833 where: short stacking energy: -685.287 Base-Backbone interact. energy: -0.321 local terms energy: -670.241618 where: bonds (distance) C4'-P energy: -98.804 bonds (distance) P-C4' energy: -139.869 flat angles C4'-P-C4' energy: -145.204 flat angles P-C4'-P energy: -96.566 tors. eta vs tors. theta energy: -189.799 Dist. restrs. and SS energy: 0.000 (S_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: 294 Temperature: 1.250000 Total energy: -2324.174654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.174654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.174654 (E_RNA) where: Base-Base interactions energy: -1623.822 where: short stacking energy: -643.902 Base-Backbone interact. energy: 1.994 local terms energy: -702.346564 where: bonds (distance) C4'-P energy: -118.284 bonds (distance) P-C4' energy: -141.198 flat angles C4'-P-C4' energy: -150.878 flat angles P-C4'-P energy: -97.654 tors. eta vs tors. theta energy: -194.332 Dist. restrs. and SS energy: 0.000 (S_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: 294 Temperature: 1.300000 Total energy: -2151.572862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.572862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.572862 (E_RNA) where: Base-Base interactions energy: -1493.233 where: short stacking energy: -622.779 Base-Backbone interact. energy: -0.809 local terms energy: -657.530126 where: bonds (distance) C4'-P energy: -96.702 bonds (distance) P-C4' energy: -129.644 flat angles C4'-P-C4' energy: -150.204 flat angles P-C4'-P energy: -97.305 tors. eta vs tors. theta energy: -183.675 Dist. restrs. and SS energy: 0.000 (S_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: 294 Temperature: 1.350000 Total energy: -1905.816981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.816981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.816981 (E_RNA) where: Base-Base interactions energy: -1282.593 where: short stacking energy: -547.584 Base-Backbone interact. energy: -2.782 local terms energy: -620.442272 where: bonds (distance) C4'-P energy: -105.146 bonds (distance) P-C4' energy: -143.262 flat angles C4'-P-C4' energy: -138.987 flat angles P-C4'-P energy: -85.314 tors. eta vs tors. theta energy: -147.734 Dist. restrs. and SS energy: 0.000 (S_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: 295 Temperature: 0.900000 Total energy: -2712.329399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.329399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.329399 (E_RNA) where: Base-Base interactions energy: -1936.470 where: short stacking energy: -769.528 Base-Backbone interact. energy: 2.602 local terms energy: -778.461290 where: bonds (distance) C4'-P energy: -132.902 bonds (distance) P-C4' energy: -151.767 flat angles C4'-P-C4' energy: -162.808 flat angles P-C4'-P energy: -105.511 tors. eta vs tors. theta energy: -225.473 Dist. restrs. and SS energy: 0.000 (S_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: 295 Temperature: 0.950000 Total energy: -2681.725093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.725093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.725093 (E_RNA) where: Base-Base interactions energy: -1930.729 where: short stacking energy: -771.303 Base-Backbone interact. energy: -2.576 local terms energy: -748.420189 where: bonds (distance) C4'-P energy: -120.171 bonds (distance) P-C4' energy: -146.482 flat angles C4'-P-C4' energy: -154.065 flat angles P-C4'-P energy: -97.795 tors. eta vs tors. theta energy: -229.907 Dist. restrs. and SS energy: 0.000 (S_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: 295 Temperature: 1.000000 Total energy: -2612.454989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.454989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.454989 (E_RNA) where: Base-Base interactions energy: -1862.855 where: short stacking energy: -736.709 Base-Backbone interact. energy: -0.653 local terms energy: -748.946934 where: bonds (distance) C4'-P energy: -122.636 bonds (distance) P-C4' energy: -146.276 flat angles C4'-P-C4' energy: -157.142 flat angles P-C4'-P energy: -102.405 tors. eta vs tors. theta energy: -220.488 Dist. restrs. and SS energy: 0.000 (S_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: -2540.842389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.842389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.842389 (E_RNA) where: Base-Base interactions energy: -1787.463 where: short stacking energy: -724.504 Base-Backbone interact. energy: 2.677 local terms energy: -756.056974 where: bonds (distance) C4'-P energy: -112.711 bonds (distance) P-C4' energy: -160.285 flat angles C4'-P-C4' energy: -159.382 flat angles P-C4'-P energy: -104.725 tors. eta vs tors. theta energy: -218.953 Dist. restrs. and SS energy: 0.000 (S_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: 295 Temperature: 1.100000 Total energy: -2530.425414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.425414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.425414 (E_RNA) where: Base-Base interactions energy: -1798.345 where: short stacking energy: -726.283 Base-Backbone interact. energy: -1.501 local terms energy: -730.579291 where: bonds (distance) C4'-P energy: -101.968 bonds (distance) P-C4' energy: -147.601 flat angles C4'-P-C4' energy: -156.462 flat angles P-C4'-P energy: -105.958 tors. eta vs tors. theta energy: -218.590 Dist. restrs. and SS energy: 0.000 (S_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: -2434.868409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.868409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.868409 (E_RNA) where: Base-Base interactions energy: -1725.614 where: short stacking energy: -699.716 Base-Backbone interact. energy: -1.545 local terms energy: -707.709656 where: bonds (distance) C4'-P energy: -104.633 bonds (distance) P-C4' energy: -145.389 flat angles C4'-P-C4' energy: -147.002 flat angles P-C4'-P energy: -103.403 tors. eta vs tors. theta energy: -207.282 Dist. restrs. and SS energy: 0.000 (S_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: 295 Temperature: 1.200000 Total energy: -2352.335494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.335494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.335494 (E_RNA) where: Base-Base interactions energy: -1648.260 where: short stacking energy: -669.617 Base-Backbone interact. energy: -1.560 local terms energy: -702.514840 where: bonds (distance) C4'-P energy: -122.787 bonds (distance) P-C4' energy: -158.142 flat angles C4'-P-C4' energy: -138.865 flat angles P-C4'-P energy: -90.092 tors. eta vs tors. theta energy: -192.629 Dist. restrs. and SS energy: 0.000 (S_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: 295 Temperature: 1.250000 Total energy: -2373.910523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.910523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.910523 (E_RNA) where: Base-Base interactions energy: -1708.455 where: short stacking energy: -692.940 Base-Backbone interact. energy: 1.291 local terms energy: -666.745919 where: bonds (distance) C4'-P energy: -97.427 bonds (distance) P-C4' energy: -147.324 flat angles C4'-P-C4' energy: -149.123 flat angles P-C4'-P energy: -81.515 tors. eta vs tors. theta energy: -191.357 Dist. restrs. and SS energy: 0.000 (S_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: 295 Temperature: 1.300000 Total energy: -2160.606025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.606025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.606025 (E_RNA) where: Base-Base interactions energy: -1528.803 where: short stacking energy: -616.075 Base-Backbone interact. energy: -1.396 local terms energy: -630.406795 where: bonds (distance) C4'-P energy: -89.900 bonds (distance) P-C4' energy: -140.638 flat angles C4'-P-C4' energy: -131.388 flat angles P-C4'-P energy: -91.701 tors. eta vs tors. theta energy: -176.780 Dist. restrs. and SS energy: 0.000 (S_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: 295 Temperature: 1.350000 Total energy: -1900.763878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.763878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.763878 (E_RNA) where: Base-Base interactions energy: -1303.176 where: short stacking energy: -555.102 Base-Backbone interact. energy: 0.050 local terms energy: -597.638368 where: bonds (distance) C4'-P energy: -109.759 bonds (distance) P-C4' energy: -135.929 flat angles C4'-P-C4' energy: -134.028 flat angles P-C4'-P energy: -73.837 tors. eta vs tors. theta energy: -144.086 Dist. restrs. and SS energy: 0.000 (S_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: 296 Temperature: 0.900000 Total energy: -2720.429893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.429893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.429893 (E_RNA) where: Base-Base interactions energy: -1931.654 where: short stacking energy: -779.040 Base-Backbone interact. energy: -3.696 local terms energy: -785.079323 where: bonds (distance) C4'-P energy: -121.282 bonds (distance) P-C4' energy: -154.177 flat angles C4'-P-C4' energy: -159.828 flat angles P-C4'-P energy: -118.458 tors. eta vs tors. theta energy: -231.334 Dist. restrs. and SS energy: 0.000 (S_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: 296 Temperature: 0.950000 Total energy: -2682.747542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.747542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.747542 (E_RNA) where: Base-Base interactions energy: -1930.291 where: short stacking energy: -771.585 Base-Backbone interact. energy: -1.780 local terms energy: -750.676884 where: bonds (distance) C4'-P energy: -98.793 bonds (distance) P-C4' energy: -143.289 flat angles C4'-P-C4' energy: -165.151 flat angles P-C4'-P energy: -112.259 tors. eta vs tors. theta energy: -231.186 Dist. restrs. and SS energy: 0.000 (S_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: 296 Temperature: 1.000000 Total energy: -2648.268527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.268527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.268527 (E_RNA) where: Base-Base interactions energy: -1868.815 where: short stacking energy: -757.258 Base-Backbone interact. energy: -1.032 local terms energy: -778.421446 where: bonds (distance) C4'-P energy: -127.519 bonds (distance) P-C4' energy: -153.033 flat angles C4'-P-C4' energy: -156.671 flat angles P-C4'-P energy: -115.414 tors. eta vs tors. theta energy: -225.785 Dist. restrs. and SS energy: 0.000 (S_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: 296 Temperature: 1.050000 Total energy: -2550.138042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.138042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.138042 (E_RNA) where: Base-Base interactions energy: -1777.075 where: short stacking energy: -714.653 Base-Backbone interact. energy: -0.576 local terms energy: -772.487451 where: bonds (distance) C4'-P energy: -128.709 bonds (distance) P-C4' energy: -150.708 flat angles C4'-P-C4' energy: -160.916 flat angles P-C4'-P energy: -108.713 tors. eta vs tors. theta energy: -223.442 Dist. restrs. and SS energy: 0.000 (S_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: 296 Temperature: 1.100000 Total energy: -2539.485648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.485648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.485648 (E_RNA) where: Base-Base interactions energy: -1790.355 where: short stacking energy: -731.415 Base-Backbone interact. energy: -0.425 local terms energy: -748.706243 where: bonds (distance) C4'-P energy: -112.147 bonds (distance) P-C4' energy: -137.234 flat angles C4'-P-C4' energy: -160.339 flat angles P-C4'-P energy: -113.756 tors. eta vs tors. theta energy: -225.231 Dist. restrs. and SS energy: 0.000 (S_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: 296 Temperature: 1.150000 Total energy: -2432.980793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.980793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.980793 (E_RNA) where: Base-Base interactions energy: -1709.325 where: short stacking energy: -684.919 Base-Backbone interact. energy: -2.058 local terms energy: -721.597489 where: bonds (distance) C4'-P energy: -108.009 bonds (distance) P-C4' energy: -149.657 flat angles C4'-P-C4' energy: -149.106 flat angles P-C4'-P energy: -104.714 tors. eta vs tors. theta energy: -210.113 Dist. restrs. and SS energy: 0.000 (S_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: 296 Temperature: 1.200000 Total energy: -2405.222564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.222564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.222564 (E_RNA) where: Base-Base interactions energy: -1722.050 where: short stacking energy: -695.802 Base-Backbone interact. energy: -0.012 local terms energy: -683.160312 where: bonds (distance) C4'-P energy: -114.356 bonds (distance) P-C4' energy: -130.095 flat angles C4'-P-C4' energy: -148.713 flat angles P-C4'-P energy: -94.016 tors. eta vs tors. theta energy: -195.981 Dist. restrs. and SS energy: 0.000 (S_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: 296 Temperature: 1.250000 Total energy: -2327.257202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.257202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.257202 (E_RNA) where: Base-Base interactions energy: -1650.590 where: short stacking energy: -656.619 Base-Backbone interact. energy: -0.982 local terms energy: -675.684385 where: bonds (distance) C4'-P energy: -103.211 bonds (distance) P-C4' energy: -150.888 flat angles C4'-P-C4' energy: -137.889 flat angles P-C4'-P energy: -92.636 tors. eta vs tors. theta energy: -191.061 Dist. restrs. and SS energy: 0.000 (S_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: 296 Temperature: 1.300000 Total energy: -2191.109695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.109695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.109695 (E_RNA) where: Base-Base interactions energy: -1522.358 where: short stacking energy: -647.693 Base-Backbone interact. energy: -0.156 local terms energy: -668.595865 where: bonds (distance) C4'-P energy: -101.763 bonds (distance) P-C4' energy: -140.015 flat angles C4'-P-C4' energy: -148.851 flat angles P-C4'-P energy: -92.255 tors. eta vs tors. theta energy: -185.712 Dist. restrs. and SS energy: 0.000 (S_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: 296 Temperature: 1.350000 Total energy: -1922.897223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.897223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.897223 (E_RNA) where: Base-Base interactions energy: -1305.129 where: short stacking energy: -558.127 Base-Backbone interact. energy: -0.753 local terms energy: -617.015385 where: bonds (distance) C4'-P energy: -106.108 bonds (distance) P-C4' energy: -136.619 flat angles C4'-P-C4' energy: -139.901 flat angles P-C4'-P energy: -89.319 tors. eta vs tors. theta energy: -145.069 Dist. restrs. and SS energy: 0.000 (S_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: 297 Temperature: 0.900000 Total energy: -2723.199779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.199779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.199779 (E_RNA) where: Base-Base interactions energy: -1939.654 where: short stacking energy: -764.351 Base-Backbone interact. energy: 0.957 local terms energy: -784.503024 where: bonds (distance) C4'-P energy: -122.420 bonds (distance) P-C4' energy: -154.355 flat angles C4'-P-C4' energy: -161.467 flat angles P-C4'-P energy: -117.469 tors. eta vs tors. theta energy: -228.792 Dist. restrs. and SS energy: 0.000 (S_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: 297 Temperature: 0.950000 Total energy: -2670.113169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.113169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.113169 (E_RNA) where: Base-Base interactions energy: -1912.035 where: short stacking energy: -754.285 Base-Backbone interact. energy: -1.773 local terms energy: -756.305075 where: bonds (distance) C4'-P energy: -121.234 bonds (distance) P-C4' energy: -146.545 flat angles C4'-P-C4' energy: -154.760 flat angles P-C4'-P energy: -110.229 tors. eta vs tors. theta energy: -223.538 Dist. restrs. and SS energy: 0.000 (S_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: 297 Temperature: 1.000000 Total energy: -2641.418878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.418878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.418878 (E_RNA) where: Base-Base interactions energy: -1873.954 where: short stacking energy: -750.099 Base-Backbone interact. energy: -2.367 local terms energy: -765.097892 where: bonds (distance) C4'-P energy: -116.681 bonds (distance) P-C4' energy: -156.062 flat angles C4'-P-C4' energy: -154.894 flat angles P-C4'-P energy: -112.126 tors. eta vs tors. theta energy: -225.335 Dist. restrs. and SS energy: 0.000 (S_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: 297 Temperature: 1.050000 Total energy: -2560.022675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.022675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.022675 (E_RNA) where: Base-Base interactions energy: -1810.519 where: short stacking energy: -721.940 Base-Backbone interact. energy: -1.225 local terms energy: -748.279237 where: bonds (distance) C4'-P energy: -107.505 bonds (distance) P-C4' energy: -148.793 flat angles C4'-P-C4' energy: -158.246 flat angles P-C4'-P energy: -110.880 tors. eta vs tors. theta energy: -222.855 Dist. restrs. and SS energy: 0.000 (S_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: 297 Temperature: 1.100000 Total energy: -2514.079117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.079117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.079117 (E_RNA) where: Base-Base interactions energy: -1787.540 where: short stacking energy: -732.629 Base-Backbone interact. energy: -1.430 local terms energy: -725.109404 where: bonds (distance) C4'-P energy: -108.946 bonds (distance) P-C4' energy: -149.390 flat angles C4'-P-C4' energy: -144.005 flat angles P-C4'-P energy: -105.600 tors. eta vs tors. theta energy: -217.168 Dist. restrs. and SS energy: 0.000 (S_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: 297 Temperature: 1.150000 Total energy: -2443.227709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.227709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.227709 (E_RNA) where: Base-Base interactions energy: -1727.206 where: short stacking energy: -707.814 Base-Backbone interact. energy: -0.590 local terms energy: -715.431521 where: bonds (distance) C4'-P energy: -109.123 bonds (distance) P-C4' energy: -136.537 flat angles C4'-P-C4' energy: -155.291 flat angles P-C4'-P energy: -100.019 tors. eta vs tors. theta energy: -214.461 Dist. restrs. and SS energy: 0.000 (S_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: 297 Temperature: 1.200000 Total energy: -2406.729371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.729371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.729371 (E_RNA) where: Base-Base interactions energy: -1704.649 where: short stacking energy: -689.653 Base-Backbone interact. energy: 7.777 local terms energy: -709.857062 where: bonds (distance) C4'-P energy: -120.533 bonds (distance) P-C4' energy: -140.379 flat angles C4'-P-C4' energy: -135.972 flat angles P-C4'-P energy: -103.928 tors. eta vs tors. theta energy: -209.045 Dist. restrs. and SS energy: 0.000 (S_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: 297 Temperature: 1.250000 Total energy: -2362.352437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.352437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.352437 (E_RNA) where: Base-Base interactions energy: -1663.001 where: short stacking energy: -671.461 Base-Backbone interact. energy: -1.422 local terms energy: -697.929181 where: bonds (distance) C4'-P energy: -104.389 bonds (distance) P-C4' energy: -132.830 flat angles C4'-P-C4' energy: -157.380 flat angles P-C4'-P energy: -107.633 tors. eta vs tors. theta energy: -195.697 Dist. restrs. and SS energy: 0.000 (S_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: 297 Temperature: 1.300000 Total energy: -2189.656934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.656934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.656934 (E_RNA) where: Base-Base interactions energy: -1534.089 where: short stacking energy: -622.616 Base-Backbone interact. energy: -1.861 local terms energy: -653.707592 where: bonds (distance) C4'-P energy: -99.696 bonds (distance) P-C4' energy: -145.410 flat angles C4'-P-C4' energy: -134.743 flat angles P-C4'-P energy: -92.798 tors. eta vs tors. theta energy: -181.061 Dist. restrs. and SS energy: 0.000 (S_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: 297 Temperature: 1.350000 Total energy: -1933.125811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.125811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.125811 (E_RNA) where: Base-Base interactions energy: -1318.851 where: short stacking energy: -554.218 Base-Backbone interact. energy: -0.725 local terms energy: -613.549647 where: bonds (distance) C4'-P energy: -103.851 bonds (distance) P-C4' energy: -135.718 flat angles C4'-P-C4' energy: -132.777 flat angles P-C4'-P energy: -96.018 tors. eta vs tors. theta energy: -145.186 Dist. restrs. and SS energy: 0.000 (S_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: 298 Temperature: 0.900000 Total energy: -2707.294319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.294319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.294319 (E_RNA) where: Base-Base interactions energy: -1926.819 where: short stacking energy: -774.835 Base-Backbone interact. energy: -2.702 local terms energy: -777.772822 where: bonds (distance) C4'-P energy: -128.584 bonds (distance) P-C4' energy: -149.279 flat angles C4'-P-C4' energy: -151.554 flat angles P-C4'-P energy: -117.144 tors. eta vs tors. theta energy: -231.212 Dist. restrs. and SS energy: 0.000 (S_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: 298 Temperature: 0.950000 Total energy: -2662.737550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.737550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.737550 (E_RNA) where: Base-Base interactions energy: -1894.999 where: short stacking energy: -762.600 Base-Backbone interact. energy: -0.864 local terms energy: -766.874942 where: bonds (distance) C4'-P energy: -126.159 bonds (distance) P-C4' energy: -146.686 flat angles C4'-P-C4' energy: -166.746 flat angles P-C4'-P energy: -102.875 tors. eta vs tors. theta energy: -224.410 Dist. restrs. and SS energy: 0.000 (S_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: 298 Temperature: 1.000000 Total energy: -2609.975052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.975052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.975052 (E_RNA) where: Base-Base interactions energy: -1846.261 where: short stacking energy: -736.918 Base-Backbone interact. energy: -1.717 local terms energy: -761.996514 where: bonds (distance) C4'-P energy: -107.671 bonds (distance) P-C4' energy: -150.395 flat angles C4'-P-C4' energy: -164.561 flat angles P-C4'-P energy: -108.055 tors. eta vs tors. theta energy: -231.314 Dist. restrs. and SS energy: 0.000 (S_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: 298 Temperature: 1.050000 Total energy: -2564.166712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.166712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.166712 (E_RNA) where: Base-Base interactions energy: -1822.466 where: short stacking energy: -733.649 Base-Backbone interact. energy: 2.839 local terms energy: -744.540317 where: bonds (distance) C4'-P energy: -108.076 bonds (distance) P-C4' energy: -151.988 flat angles C4'-P-C4' energy: -162.362 flat angles P-C4'-P energy: -106.031 tors. eta vs tors. theta energy: -216.083 Dist. restrs. and SS energy: 0.000 (S_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: 298 Temperature: 1.100000 Total energy: -2504.469636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.469636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.469636 (E_RNA) where: Base-Base interactions energy: -1787.770 where: short stacking energy: -729.148 Base-Backbone interact. energy: -1.852 local terms energy: -714.847402 where: bonds (distance) C4'-P energy: -97.586 bonds (distance) P-C4' energy: -149.255 flat angles C4'-P-C4' energy: -143.561 flat angles P-C4'-P energy: -104.476 tors. eta vs tors. theta energy: -219.969 Dist. restrs. and SS energy: 0.000 (S_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: 298 Temperature: 1.150000 Total energy: -2457.016880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.016880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.016880 (E_RNA) where: Base-Base interactions energy: -1749.152 where: short stacking energy: -700.103 Base-Backbone interact. energy: -0.857 local terms energy: -707.007594 where: bonds (distance) C4'-P energy: -105.088 bonds (distance) P-C4' energy: -137.203 flat angles C4'-P-C4' energy: -154.905 flat angles P-C4'-P energy: -91.195 tors. eta vs tors. theta energy: -218.616 Dist. restrs. and SS energy: 0.000 (S_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: 298 Temperature: 1.200000 Total energy: -2408.383462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.383462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.383462 (E_RNA) where: Base-Base interactions energy: -1725.596 where: short stacking energy: -692.759 Base-Backbone interact. energy: -1.537 local terms energy: -681.249901 where: bonds (distance) C4'-P energy: -113.514 bonds (distance) P-C4' energy: -130.631 flat angles C4'-P-C4' energy: -140.911 flat angles P-C4'-P energy: -100.652 tors. eta vs tors. theta energy: -195.541 Dist. restrs. and SS energy: 0.000 (S_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: 298 Temperature: 1.250000 Total energy: -2385.632233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.632233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.632233 (E_RNA) where: Base-Base interactions energy: -1695.306 where: short stacking energy: -680.399 Base-Backbone interact. energy: -1.084 local terms energy: -689.241702 where: bonds (distance) C4'-P energy: -106.965 bonds (distance) P-C4' energy: -137.485 flat angles C4'-P-C4' energy: -146.827 flat angles P-C4'-P energy: -99.767 tors. eta vs tors. theta energy: -198.198 Dist. restrs. and SS energy: 0.000 (S_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: 298 Temperature: 1.300000 Total energy: -2284.396218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.396218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.396218 (E_RNA) where: Base-Base interactions energy: -1619.797 where: short stacking energy: -653.149 Base-Backbone interact. energy: -0.531 local terms energy: -664.068654 where: bonds (distance) C4'-P energy: -85.161 bonds (distance) P-C4' energy: -133.620 flat angles C4'-P-C4' energy: -143.142 flat angles P-C4'-P energy: -102.763 tors. eta vs tors. theta energy: -199.382 Dist. restrs. and SS energy: 0.000 (S_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: 298 Temperature: 1.350000 Total energy: -1966.145112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.145112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.145112 (E_RNA) where: Base-Base interactions energy: -1321.941 where: short stacking energy: -573.662 Base-Backbone interact. energy: -0.523 local terms energy: -643.680881 where: bonds (distance) C4'-P energy: -113.229 bonds (distance) P-C4' energy: -145.669 flat angles C4'-P-C4' energy: -137.084 flat angles P-C4'-P energy: -94.266 tors. eta vs tors. theta energy: -153.432 Dist. restrs. and SS energy: 0.000 (S_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: 299 Temperature: 0.900000 Total energy: -2705.673728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.673728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.673728 (E_RNA) where: Base-Base interactions energy: -1925.115 where: short stacking energy: -772.667 Base-Backbone interact. energy: -2.065 local terms energy: -778.493961 where: bonds (distance) C4'-P energy: -122.167 bonds (distance) P-C4' energy: -149.884 flat angles C4'-P-C4' energy: -164.387 flat angles P-C4'-P energy: -113.373 tors. eta vs tors. theta energy: -228.683 Dist. restrs. and SS energy: 0.000 (S_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: 299 Temperature: 0.950000 Total energy: -2684.001708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.001708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.001708 (E_RNA) where: Base-Base interactions energy: -1908.681 where: short stacking energy: -754.612 Base-Backbone interact. energy: -4.272 local terms energy: -771.049652 where: bonds (distance) C4'-P energy: -113.348 bonds (distance) P-C4' energy: -159.636 flat angles C4'-P-C4' energy: -159.681 flat angles P-C4'-P energy: -108.550 tors. eta vs tors. theta energy: -229.834 Dist. restrs. and SS energy: 0.000 (S_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: 299 Temperature: 1.000000 Total energy: -2634.403839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.403839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.403839 (E_RNA) where: Base-Base interactions energy: -1855.899 where: short stacking energy: -748.474 Base-Backbone interact. energy: -2.200 local terms energy: -776.304833 where: bonds (distance) C4'-P energy: -122.858 bonds (distance) P-C4' energy: -151.632 flat angles C4'-P-C4' energy: -159.156 flat angles P-C4'-P energy: -115.812 tors. eta vs tors. theta energy: -226.847 Dist. restrs. and SS energy: 0.000 (S_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: 299 Temperature: 1.050000 Total energy: -2543.098483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.098483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.098483 (E_RNA) where: Base-Base interactions energy: -1792.671 where: short stacking energy: -715.742 Base-Backbone interact. energy: -1.661 local terms energy: -748.766443 where: bonds (distance) C4'-P energy: -109.453 bonds (distance) P-C4' energy: -152.059 flat angles C4'-P-C4' energy: -158.027 flat angles P-C4'-P energy: -112.520 tors. eta vs tors. theta energy: -216.707 Dist. restrs. and SS energy: 0.000 (S_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: 299 Temperature: 1.100000 Total energy: -2512.682529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.682529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.682529 (E_RNA) where: Base-Base interactions energy: -1775.087 where: short stacking energy: -715.032 Base-Backbone interact. energy: -1.618 local terms energy: -735.977766 where: bonds (distance) C4'-P energy: -107.910 bonds (distance) P-C4' energy: -145.437 flat angles C4'-P-C4' energy: -156.238 flat angles P-C4'-P energy: -107.998 tors. eta vs tors. theta energy: -218.395 Dist. restrs. and SS energy: 0.000 (S_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: 299 Temperature: 1.150000 Total energy: -2447.878787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.878787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.878787 (E_RNA) where: Base-Base interactions energy: -1745.349 where: short stacking energy: -706.007 Base-Backbone interact. energy: -1.877 local terms energy: -700.652626 where: bonds (distance) C4'-P energy: -101.339 bonds (distance) P-C4' energy: -139.233 flat angles C4'-P-C4' energy: -149.054 flat angles P-C4'-P energy: -98.030 tors. eta vs tors. theta energy: -212.996 Dist. restrs. and SS energy: 0.000 (S_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: 299 Temperature: 1.200000 Total energy: -2403.833066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.833066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.833066 (E_RNA) where: Base-Base interactions energy: -1703.928 where: short stacking energy: -697.859 Base-Backbone interact. energy: -2.053 local terms energy: -697.851344 where: bonds (distance) C4'-P energy: -110.104 bonds (distance) P-C4' energy: -149.536 flat angles C4'-P-C4' energy: -142.563 flat angles P-C4'-P energy: -101.198 tors. eta vs tors. theta energy: -194.450 Dist. restrs. and SS energy: 0.000 (S_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: 299 Temperature: 1.250000 Total energy: -2405.236267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.236267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.236267 (E_RNA) where: Base-Base interactions energy: -1709.568 where: short stacking energy: -690.306 Base-Backbone interact. energy: -1.529 local terms energy: -694.139141 where: bonds (distance) C4'-P energy: -103.159 bonds (distance) P-C4' energy: -140.534 flat angles C4'-P-C4' energy: -147.979 flat angles P-C4'-P energy: -97.815 tors. eta vs tors. theta energy: -204.652 Dist. restrs. and SS energy: 0.000 (S_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: 299 Temperature: 1.300000 Total energy: -2295.760291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.760291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.760291 (E_RNA) where: Base-Base interactions energy: -1608.070 where: short stacking energy: -653.034 Base-Backbone interact. energy: -1.866 local terms energy: -685.824558 where: bonds (distance) C4'-P energy: -106.750 bonds (distance) P-C4' energy: -132.153 flat angles C4'-P-C4' energy: -150.892 flat angles P-C4'-P energy: -95.975 tors. eta vs tors. theta energy: -200.055 Dist. restrs. and SS energy: 0.000 (S_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: 299 Temperature: 1.350000 Total energy: -1929.617721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.617721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.617721 (E_RNA) where: Base-Base interactions energy: -1331.726 where: short stacking energy: -545.096 Base-Backbone interact. energy: -0.161 local terms energy: -597.730791 where: bonds (distance) C4'-P energy: -108.079 bonds (distance) P-C4' energy: -133.167 flat angles C4'-P-C4' energy: -129.787 flat angles P-C4'-P energy: -83.014 tors. eta vs tors. theta energy: -143.684 Dist. restrs. and SS energy: 0.000 (S_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: 300 Temperature: 0.900000 Total energy: -2704.083683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.083683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.083683 (E_RNA) where: Base-Base interactions energy: -1933.406 where: short stacking energy: -763.800 Base-Backbone interact. energy: -0.835 local terms energy: -769.843012 where: bonds (distance) C4'-P energy: -119.141 bonds (distance) P-C4' energy: -159.647 flat angles C4'-P-C4' energy: -151.471 flat angles P-C4'-P energy: -114.241 tors. eta vs tors. theta energy: -225.343 Dist. restrs. and SS energy: 0.000 (S_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: 300 Temperature: 0.950000 Total energy: -2680.911235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.911235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.911235 (E_RNA) where: Base-Base interactions energy: -1917.787 where: short stacking energy: -755.890 Base-Backbone interact. energy: -1.702 local terms energy: -761.422319 where: bonds (distance) C4'-P energy: -116.478 bonds (distance) P-C4' energy: -146.941 flat angles C4'-P-C4' energy: -155.815 flat angles P-C4'-P energy: -114.233 tors. eta vs tors. theta energy: -227.955 Dist. restrs. and SS energy: 0.000 (S_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: 300 Temperature: 1.000000 Total energy: -2655.837065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.837065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.837065 (E_RNA) where: Base-Base interactions energy: -1884.849 where: short stacking energy: -755.202 Base-Backbone interact. energy: -3.182 local terms energy: -767.806767 where: bonds (distance) C4'-P energy: -125.643 bonds (distance) P-C4' energy: -146.282 flat angles C4'-P-C4' energy: -161.161 flat angles P-C4'-P energy: -105.915 tors. eta vs tors. theta energy: -228.805 Dist. restrs. and SS energy: 0.000 (S_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: 300 Temperature: 1.050000 Total energy: -2544.001466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.001466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.001466 (E_RNA) where: Base-Base interactions energy: -1795.623 where: short stacking energy: -732.300 Base-Backbone interact. energy: -0.822 local terms energy: -747.555851 where: bonds (distance) C4'-P energy: -117.415 bonds (distance) P-C4' energy: -147.539 flat angles C4'-P-C4' energy: -160.752 flat angles P-C4'-P energy: -98.386 tors. eta vs tors. theta energy: -223.464 Dist. restrs. and SS energy: 0.000 (S_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: 300 Temperature: 1.100000 Total energy: -2549.420310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.420310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.420310 (E_RNA) where: Base-Base interactions energy: -1794.359 where: short stacking energy: -740.222 Base-Backbone interact. energy: -2.001 local terms energy: -753.060672 where: bonds (distance) C4'-P energy: -114.546 bonds (distance) P-C4' energy: -142.714 flat angles C4'-P-C4' energy: -162.244 flat angles P-C4'-P energy: -105.481 tors. eta vs tors. theta energy: -228.076 Dist. restrs. and SS energy: 0.000 (S_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: 300 Temperature: 1.150000 Total energy: -2452.892498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.892498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.892498 (E_RNA) where: Base-Base interactions energy: -1716.031 where: short stacking energy: -706.330 Base-Backbone interact. energy: 0.442 local terms energy: -737.303611 where: bonds (distance) C4'-P energy: -120.940 bonds (distance) P-C4' energy: -139.478 flat angles C4'-P-C4' energy: -152.059 flat angles P-C4'-P energy: -106.601 tors. eta vs tors. theta energy: -218.225 Dist. restrs. and SS energy: 0.000 (S_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: 300 Temperature: 1.200000 Total energy: -2414.349269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.349269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.349269 (E_RNA) where: Base-Base interactions energy: -1704.416 where: short stacking energy: -687.270 Base-Backbone interact. energy: -1.425 local terms energy: -708.508050 where: bonds (distance) C4'-P energy: -94.324 bonds (distance) P-C4' energy: -151.028 flat angles C4'-P-C4' energy: -149.977 flat angles P-C4'-P energy: -108.660 tors. eta vs tors. theta energy: -204.519 Dist. restrs. and SS energy: 0.000 (S_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: 300 Temperature: 1.250000 Total energy: -2384.994023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.994023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.994023 (E_RNA) where: Base-Base interactions energy: -1682.539 where: short stacking energy: -669.239 Base-Backbone interact. energy: -2.144 local terms energy: -700.311071 where: bonds (distance) C4'-P energy: -110.206 bonds (distance) P-C4' energy: -131.375 flat angles C4'-P-C4' energy: -147.116 flat angles P-C4'-P energy: -106.990 tors. eta vs tors. theta energy: -204.623 Dist. restrs. and SS energy: 0.000 (S_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: 300 Temperature: 1.300000 Total energy: -2263.925657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.925657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.925657 (E_RNA) where: Base-Base interactions energy: -1578.574 where: short stacking energy: -631.677 Base-Backbone interact. energy: -2.385 local terms energy: -682.966770 where: bonds (distance) C4'-P energy: -106.189 bonds (distance) P-C4' energy: -147.669 flat angles C4'-P-C4' energy: -134.673 flat angles P-C4'-P energy: -99.668 tors. eta vs tors. theta energy: -194.768 Dist. restrs. and SS energy: 0.000 (S_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: -1902.803458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.803458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.803458 (E_RNA) where: Base-Base interactions energy: -1287.099 where: short stacking energy: -549.175 Base-Backbone interact. energy: 1.959 local terms energy: -617.663646 where: bonds (distance) C4'-P energy: -96.164 bonds (distance) P-C4' energy: -137.530 flat angles C4'-P-C4' energy: -137.935 flat angles P-C4'-P energy: -97.378 tors. eta vs tors. theta energy: -148.657 Dist. restrs. and SS energy: 0.000 (S_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: 301 Temperature: 0.900000 Total energy: -2705.796218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.796218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.796218 (E_RNA) where: Base-Base interactions energy: -1932.150 where: short stacking energy: -774.452 Base-Backbone interact. energy: -0.976 local terms energy: -772.669927 where: bonds (distance) C4'-P energy: -122.043 bonds (distance) P-C4' energy: -156.364 flat angles C4'-P-C4' energy: -156.744 flat angles P-C4'-P energy: -107.619 tors. eta vs tors. theta energy: -229.901 Dist. restrs. and SS energy: 0.000 (S_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: 301 Temperature: 0.950000 Total energy: -2663.270000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.270000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.270000 (E_RNA) where: Base-Base interactions energy: -1891.152 where: short stacking energy: -769.673 Base-Backbone interact. energy: -2.458 local terms energy: -769.659798 where: bonds (distance) C4'-P energy: -115.247 bonds (distance) P-C4' energy: -151.784 flat angles C4'-P-C4' energy: -164.371 flat angles P-C4'-P energy: -109.401 tors. eta vs tors. theta energy: -228.856 Dist. restrs. and SS energy: 0.000 (S_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: 301 Temperature: 1.000000 Total energy: -2644.184752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.184752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.184752 (E_RNA) where: Base-Base interactions energy: -1876.352 where: short stacking energy: -745.954 Base-Backbone interact. energy: -2.025 local terms energy: -765.807894 where: bonds (distance) C4'-P energy: -113.840 bonds (distance) P-C4' energy: -152.181 flat angles C4'-P-C4' energy: -162.221 flat angles P-C4'-P energy: -107.505 tors. eta vs tors. theta energy: -230.060 Dist. restrs. and SS energy: 0.000 (S_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: 301 Temperature: 1.050000 Total energy: -2546.958205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.958205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.958205 (E_RNA) where: Base-Base interactions energy: -1797.626 where: short stacking energy: -748.405 Base-Backbone interact. energy: -1.559 local terms energy: -747.773965 where: bonds (distance) C4'-P energy: -118.133 bonds (distance) P-C4' energy: -149.340 flat angles C4'-P-C4' energy: -148.930 flat angles P-C4'-P energy: -107.233 tors. eta vs tors. theta energy: -224.137 Dist. restrs. and SS energy: 0.000 (S_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: 301 Temperature: 1.100000 Total energy: -2529.801221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.801221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.801221 (E_RNA) where: Base-Base interactions energy: -1765.323 where: short stacking energy: -722.583 Base-Backbone interact. energy: -1.016 local terms energy: -763.461731 where: bonds (distance) C4'-P energy: -116.094 bonds (distance) P-C4' energy: -152.584 flat angles C4'-P-C4' energy: -158.209 flat angles P-C4'-P energy: -108.660 tors. eta vs tors. theta energy: -227.914 Dist. restrs. and SS energy: 0.000 (S_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: 301 Temperature: 1.150000 Total energy: -2484.178633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.178633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.178633 (E_RNA) where: Base-Base interactions energy: -1749.250 where: short stacking energy: -718.248 Base-Backbone interact. energy: -3.042 local terms energy: -731.886016 where: bonds (distance) C4'-P energy: -103.490 bonds (distance) P-C4' energy: -145.111 flat angles C4'-P-C4' energy: -156.515 flat angles P-C4'-P energy: -111.978 tors. eta vs tors. theta energy: -214.792 Dist. restrs. and SS energy: 0.000 (S_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: -2415.631313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.631313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.631313 (E_RNA) where: Base-Base interactions energy: -1699.979 where: short stacking energy: -704.543 Base-Backbone interact. energy: -1.910 local terms energy: -713.742408 where: bonds (distance) C4'-P energy: -113.989 bonds (distance) P-C4' energy: -143.560 flat angles C4'-P-C4' energy: -147.094 flat angles P-C4'-P energy: -102.756 tors. eta vs tors. theta energy: -206.343 Dist. restrs. and SS energy: 0.000 (S_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: 301 Temperature: 1.250000 Total energy: -2319.683730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.683730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.683730 (E_RNA) where: Base-Base interactions energy: -1653.454 where: short stacking energy: -662.062 Base-Backbone interact. energy: -0.178 local terms energy: -666.051821 where: bonds (distance) C4'-P energy: -103.335 bonds (distance) P-C4' energy: -135.305 flat angles C4'-P-C4' energy: -149.103 flat angles P-C4'-P energy: -91.557 tors. eta vs tors. theta energy: -186.752 Dist. restrs. and SS energy: 0.000 (S_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: 301 Temperature: 1.300000 Total energy: -2294.348845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.348845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.348845 (E_RNA) where: Base-Base interactions energy: -1619.203 where: short stacking energy: -661.371 Base-Backbone interact. energy: -1.751 local terms energy: -673.395676 where: bonds (distance) C4'-P energy: -97.761 bonds (distance) P-C4' energy: -143.746 flat angles C4'-P-C4' energy: -129.742 flat angles P-C4'-P energy: -100.272 tors. eta vs tors. theta energy: -201.875 Dist. restrs. and SS energy: 0.000 (S_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: -1846.244414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.244414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.244414 (E_RNA) where: Base-Base interactions energy: -1247.799 where: short stacking energy: -516.820 Base-Backbone interact. energy: -1.485 local terms energy: -596.959690 where: bonds (distance) C4'-P energy: -108.589 bonds (distance) P-C4' energy: -137.519 flat angles C4'-P-C4' energy: -134.841 flat angles P-C4'-P energy: -85.803 tors. eta vs tors. theta energy: -130.207 Dist. restrs. and SS energy: 0.000 (S_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: 302 Temperature: 0.900000 Total energy: -2708.301421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.301421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.301421 (E_RNA) where: Base-Base interactions energy: -1936.707 where: short stacking energy: -773.490 Base-Backbone interact. energy: -2.104 local terms energy: -769.489650 where: bonds (distance) C4'-P energy: -112.510 bonds (distance) P-C4' energy: -146.886 flat angles C4'-P-C4' energy: -161.613 flat angles P-C4'-P energy: -118.743 tors. eta vs tors. theta energy: -229.738 Dist. restrs. and SS energy: 0.000 (S_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: 302 Temperature: 0.950000 Total energy: -2669.918110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.918110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.918110 (E_RNA) where: Base-Base interactions energy: -1903.331 where: short stacking energy: -766.787 Base-Backbone interact. energy: -1.487 local terms energy: -765.099910 where: bonds (distance) C4'-P energy: -125.794 bonds (distance) P-C4' energy: -138.332 flat angles C4'-P-C4' energy: -159.058 flat angles P-C4'-P energy: -111.721 tors. eta vs tors. theta energy: -230.195 Dist. restrs. and SS energy: 0.000 (S_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: 302 Temperature: 1.000000 Total energy: -2635.631352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.631352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.631352 (E_RNA) where: Base-Base interactions energy: -1879.563 where: short stacking energy: -748.661 Base-Backbone interact. energy: -1.387 local terms energy: -754.681971 where: bonds (distance) C4'-P energy: -113.644 bonds (distance) P-C4' energy: -157.006 flat angles C4'-P-C4' energy: -157.745 flat angles P-C4'-P energy: -101.325 tors. eta vs tors. theta energy: -224.962 Dist. restrs. and SS energy: 0.000 (S_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: 302 Temperature: 1.050000 Total energy: -2559.143490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.143490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.143490 (E_RNA) where: Base-Base interactions energy: -1804.755 where: short stacking energy: -734.757 Base-Backbone interact. energy: -1.405 local terms energy: -752.983789 where: bonds (distance) C4'-P energy: -120.428 bonds (distance) P-C4' energy: -149.058 flat angles C4'-P-C4' energy: -156.917 flat angles P-C4'-P energy: -98.965 tors. eta vs tors. theta energy: -227.615 Dist. restrs. and SS energy: 0.000 (S_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: 302 Temperature: 1.100000 Total energy: -2494.873376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.873376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.873376 (E_RNA) where: Base-Base interactions energy: -1759.269 where: short stacking energy: -707.923 Base-Backbone interact. energy: -1.416 local terms energy: -734.187945 where: bonds (distance) C4'-P energy: -129.387 bonds (distance) P-C4' energy: -142.807 flat angles C4'-P-C4' energy: -152.024 flat angles P-C4'-P energy: -100.629 tors. eta vs tors. theta energy: -209.341 Dist. restrs. and SS energy: 0.000 (S_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: 302 Temperature: 1.150000 Total energy: -2478.791965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.791965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.791965 (E_RNA) where: Base-Base interactions energy: -1754.412 where: short stacking energy: -725.964 Base-Backbone interact. energy: -1.635 local terms energy: -722.744903 where: bonds (distance) C4'-P energy: -107.265 bonds (distance) P-C4' energy: -140.485 flat angles C4'-P-C4' energy: -155.757 flat angles P-C4'-P energy: -105.614 tors. eta vs tors. theta energy: -213.624 Dist. restrs. and SS energy: 0.000 (S_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: 302 Temperature: 1.200000 Total energy: -2422.062335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.062335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.062335 (E_RNA) where: Base-Base interactions energy: -1711.335 where: short stacking energy: -681.605 Base-Backbone interact. energy: -0.567 local terms energy: -710.160401 where: bonds (distance) C4'-P energy: -98.557 bonds (distance) P-C4' energy: -140.281 flat angles C4'-P-C4' energy: -152.644 flat angles P-C4'-P energy: -107.156 tors. eta vs tors. theta energy: -211.522 Dist. restrs. and SS energy: 0.000 (S_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: 302 Temperature: 1.250000 Total energy: -2334.602794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.602794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.602794 (E_RNA) where: Base-Base interactions energy: -1651.090 where: short stacking energy: -664.118 Base-Backbone interact. energy: 1.521 local terms energy: -685.033501 where: bonds (distance) C4'-P energy: -101.225 bonds (distance) P-C4' energy: -140.536 flat angles C4'-P-C4' energy: -151.379 flat angles P-C4'-P energy: -93.981 tors. eta vs tors. theta energy: -197.912 Dist. restrs. and SS energy: 0.000 (S_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: 302 Temperature: 1.300000 Total energy: -2201.601124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.601124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.601124 (E_RNA) where: Base-Base interactions energy: -1545.365 where: short stacking energy: -622.597 Base-Backbone interact. energy: 0.634 local terms energy: -656.869361 where: bonds (distance) C4'-P energy: -105.142 bonds (distance) P-C4' energy: -143.971 flat angles C4'-P-C4' energy: -132.888 flat angles P-C4'-P energy: -89.420 tors. eta vs tors. theta energy: -185.449 Dist. restrs. and SS energy: 0.000 (S_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: 302 Temperature: 1.350000 Total energy: -1919.261711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.261711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.261711 (E_RNA) where: Base-Base interactions energy: -1291.635 where: short stacking energy: -544.925 Base-Backbone interact. energy: 3.812 local terms energy: -631.438387 where: bonds (distance) C4'-P energy: -103.283 bonds (distance) P-C4' energy: -149.267 flat angles C4'-P-C4' energy: -128.871 flat angles P-C4'-P energy: -101.904 tors. eta vs tors. theta energy: -148.113 Dist. restrs. and SS energy: 0.000 (S_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: 303 Temperature: 0.900000 Total energy: -2714.952158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.952158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.952158 (E_RNA) where: Base-Base interactions energy: -1953.154 where: short stacking energy: -758.939 Base-Backbone interact. energy: -2.243 local terms energy: -759.555825 where: bonds (distance) C4'-P energy: -116.796 bonds (distance) P-C4' energy: -144.520 flat angles C4'-P-C4' energy: -155.382 flat angles P-C4'-P energy: -112.756 tors. eta vs tors. theta energy: -230.102 Dist. restrs. and SS energy: 0.000 (S_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: 303 Temperature: 0.950000 Total energy: -2650.431092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.431092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.431092 (E_RNA) where: Base-Base interactions energy: -1878.106 where: short stacking energy: -775.415 Base-Backbone interact. energy: -2.137 local terms energy: -770.188741 where: bonds (distance) C4'-P energy: -115.456 bonds (distance) P-C4' energy: -145.967 flat angles C4'-P-C4' energy: -163.065 flat angles P-C4'-P energy: -113.879 tors. eta vs tors. theta energy: -231.822 Dist. restrs. and SS energy: 0.000 (S_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: 303 Temperature: 1.000000 Total energy: -2613.312653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.312653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.312653 (E_RNA) where: Base-Base interactions energy: -1846.002 where: short stacking energy: -717.827 Base-Backbone interact. energy: -3.275 local terms energy: -764.035719 where: bonds (distance) C4'-P energy: -114.496 bonds (distance) P-C4' energy: -158.623 flat angles C4'-P-C4' energy: -163.154 flat angles P-C4'-P energy: -106.577 tors. eta vs tors. theta energy: -221.186 Dist. restrs. and SS energy: 0.000 (S_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: 303 Temperature: 1.050000 Total energy: -2547.773981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.773981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.773981 (E_RNA) where: Base-Base interactions energy: -1801.347 where: short stacking energy: -737.355 Base-Backbone interact. energy: -4.878 local terms energy: -741.549314 where: bonds (distance) C4'-P energy: -112.367 bonds (distance) P-C4' energy: -153.265 flat angles C4'-P-C4' energy: -157.224 flat angles P-C4'-P energy: -96.891 tors. eta vs tors. theta energy: -221.803 Dist. restrs. and SS energy: 0.000 (S_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: -2524.687226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.687226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.687226 (E_RNA) where: Base-Base interactions energy: -1779.555 where: short stacking energy: -737.075 Base-Backbone interact. energy: -3.220 local terms energy: -741.912356 where: bonds (distance) C4'-P energy: -107.499 bonds (distance) P-C4' energy: -159.096 flat angles C4'-P-C4' energy: -161.303 flat angles P-C4'-P energy: -104.583 tors. eta vs tors. theta energy: -209.432 Dist. restrs. and SS energy: 0.000 (S_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: 303 Temperature: 1.150000 Total energy: -2471.622392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.622392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.622392 (E_RNA) where: Base-Base interactions energy: -1762.388 where: short stacking energy: -692.348 Base-Backbone interact. energy: -0.355 local terms energy: -708.879048 where: bonds (distance) C4'-P energy: -104.373 bonds (distance) P-C4' energy: -135.818 flat angles C4'-P-C4' energy: -147.104 flat angles P-C4'-P energy: -104.277 tors. eta vs tors. theta energy: -217.308 Dist. restrs. and SS energy: 0.000 (S_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: 303 Temperature: 1.200000 Total energy: -2461.504313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.504313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.504313 (E_RNA) where: Base-Base interactions energy: -1747.193 where: short stacking energy: -720.080 Base-Backbone interact. energy: -1.104 local terms energy: -713.207276 where: bonds (distance) C4'-P energy: -106.557 bonds (distance) P-C4' energy: -133.618 flat angles C4'-P-C4' energy: -155.644 flat angles P-C4'-P energy: -97.963 tors. eta vs tors. theta energy: -219.426 Dist. restrs. and SS energy: 0.000 (S_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: 303 Temperature: 1.250000 Total energy: -2321.388269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.388269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.388269 (E_RNA) where: Base-Base interactions energy: -1631.899 where: short stacking energy: -661.157 Base-Backbone interact. energy: -0.435 local terms energy: -689.053963 where: bonds (distance) C4'-P energy: -116.218 bonds (distance) P-C4' energy: -139.090 flat angles C4'-P-C4' energy: -148.764 flat angles P-C4'-P energy: -94.915 tors. eta vs tors. theta energy: -190.068 Dist. restrs. and SS energy: 0.000 (S_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: 303 Temperature: 1.300000 Total energy: -2230.256073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.256073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.256073 (E_RNA) where: Base-Base interactions energy: -1563.035 where: short stacking energy: -632.564 Base-Backbone interact. energy: 0.202 local terms energy: -667.423107 where: bonds (distance) C4'-P energy: -109.905 bonds (distance) P-C4' energy: -139.966 flat angles C4'-P-C4' energy: -142.575 flat angles P-C4'-P energy: -104.866 tors. eta vs tors. theta energy: -170.111 Dist. restrs. and SS energy: 0.000 (S_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: 303 Temperature: 1.350000 Total energy: -1921.291800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.291800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.291800 (E_RNA) where: Base-Base interactions energy: -1303.063 where: short stacking energy: -548.078 Base-Backbone interact. energy: -2.705 local terms energy: -615.524110 where: bonds (distance) C4'-P energy: -85.212 bonds (distance) P-C4' energy: -148.006 flat angles C4'-P-C4' energy: -140.632 flat angles P-C4'-P energy: -95.390 tors. eta vs tors. theta energy: -146.283 Dist. restrs. and SS energy: 0.000 (S_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: 304 Temperature: 0.900000 Total energy: -2689.380006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.380006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.380006 (E_RNA) where: Base-Base interactions energy: -1904.124 where: short stacking energy: -760.659 Base-Backbone interact. energy: -2.792 local terms energy: -782.464085 where: bonds (distance) C4'-P energy: -115.284 bonds (distance) P-C4' energy: -164.509 flat angles C4'-P-C4' energy: -165.252 flat angles P-C4'-P energy: -109.926 tors. eta vs tors. theta energy: -227.492 Dist. restrs. and SS energy: 0.000 (S_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: 304 Temperature: 0.950000 Total energy: -2670.920480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.920480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.920480 (E_RNA) where: Base-Base interactions energy: -1905.441 where: short stacking energy: -763.274 Base-Backbone interact. energy: -3.902 local terms energy: -761.577285 where: bonds (distance) C4'-P energy: -114.953 bonds (distance) P-C4' energy: -144.767 flat angles C4'-P-C4' energy: -159.848 flat angles P-C4'-P energy: -111.263 tors. eta vs tors. theta energy: -230.746 Dist. restrs. and SS energy: 0.000 (S_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: 304 Temperature: 1.000000 Total energy: -2631.721016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.721016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.721016 (E_RNA) where: Base-Base interactions energy: -1878.393 where: short stacking energy: -747.333 Base-Backbone interact. energy: -4.234 local terms energy: -749.094269 where: bonds (distance) C4'-P energy: -117.269 bonds (distance) P-C4' energy: -133.109 flat angles C4'-P-C4' energy: -159.635 flat angles P-C4'-P energy: -113.810 tors. eta vs tors. theta energy: -225.272 Dist. restrs. and SS energy: 0.000 (S_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: 304 Temperature: 1.050000 Total energy: -2529.574214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.574214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.574214 (E_RNA) where: Base-Base interactions energy: -1774.382 where: short stacking energy: -732.170 Base-Backbone interact. energy: -1.692 local terms energy: -753.500947 where: bonds (distance) C4'-P energy: -122.096 bonds (distance) P-C4' energy: -152.509 flat angles C4'-P-C4' energy: -160.057 flat angles P-C4'-P energy: -102.200 tors. eta vs tors. theta energy: -216.639 Dist. restrs. and SS energy: 0.000 (S_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: 304 Temperature: 1.100000 Total energy: -2509.178686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.178686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.178686 (E_RNA) where: Base-Base interactions energy: -1779.228 where: short stacking energy: -709.337 Base-Backbone interact. energy: -1.627 local terms energy: -728.323122 where: bonds (distance) C4'-P energy: -115.998 bonds (distance) P-C4' energy: -145.481 flat angles C4'-P-C4' energy: -158.888 flat angles P-C4'-P energy: -98.251 tors. eta vs tors. theta energy: -209.704 Dist. restrs. and SS energy: 0.000 (S_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: 304 Temperature: 1.150000 Total energy: -2465.660859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.660859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.660859 (E_RNA) where: Base-Base interactions energy: -1728.017 where: short stacking energy: -704.592 Base-Backbone interact. energy: -2.866 local terms energy: -734.778447 where: bonds (distance) C4'-P energy: -113.704 bonds (distance) P-C4' energy: -145.923 flat angles C4'-P-C4' energy: -146.907 flat angles P-C4'-P energy: -111.928 tors. eta vs tors. theta energy: -216.317 Dist. restrs. and SS energy: 0.000 (S_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: 304 Temperature: 1.200000 Total energy: -2413.319961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.319961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.319961 (E_RNA) where: Base-Base interactions energy: -1707.652 where: short stacking energy: -697.489 Base-Backbone interact. energy: -1.839 local terms energy: -703.829515 where: bonds (distance) C4'-P energy: -100.552 bonds (distance) P-C4' energy: -155.994 flat angles C4'-P-C4' energy: -138.040 flat angles P-C4'-P energy: -101.383 tors. eta vs tors. theta energy: -207.860 Dist. restrs. and SS energy: 0.000 (S_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: 304 Temperature: 1.250000 Total energy: -2319.782960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.782960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.782960 (E_RNA) where: Base-Base interactions energy: -1651.595 where: short stacking energy: -681.906 Base-Backbone interact. energy: -2.674 local terms energy: -665.514642 where: bonds (distance) C4'-P energy: -97.894 bonds (distance) P-C4' energy: -132.530 flat angles C4'-P-C4' energy: -140.849 flat angles P-C4'-P energy: -99.481 tors. eta vs tors. theta energy: -194.761 Dist. restrs. and SS energy: 0.000 (S_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: 304 Temperature: 1.300000 Total energy: -2232.744044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.744044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.744044 (E_RNA) where: Base-Base interactions energy: -1539.281 where: short stacking energy: -626.444 Base-Backbone interact. energy: -1.677 local terms energy: -691.786099 where: bonds (distance) C4'-P energy: -125.229 bonds (distance) P-C4' energy: -149.996 flat angles C4'-P-C4' energy: -138.553 flat angles P-C4'-P energy: -99.292 tors. eta vs tors. theta energy: -178.716 Dist. restrs. and SS energy: 0.000 (S_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: 304 Temperature: 1.350000 Total energy: -1944.727901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.727901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.727901 (E_RNA) where: Base-Base interactions energy: -1325.066 where: short stacking energy: -561.221 Base-Backbone interact. energy: -0.960 local terms energy: -618.702119 where: bonds (distance) C4'-P energy: -96.127 bonds (distance) P-C4' energy: -135.612 flat angles C4'-P-C4' energy: -139.008 flat angles P-C4'-P energy: -89.899 tors. eta vs tors. theta energy: -158.056 Dist. restrs. and SS energy: 0.000 (S_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: 305 Temperature: 0.900000 Total energy: -2671.650658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.650658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.650658 (E_RNA) where: Base-Base interactions energy: -1898.642 where: short stacking energy: -784.859 Base-Backbone interact. energy: 0.452 local terms energy: -773.460609 where: bonds (distance) C4'-P energy: -117.901 bonds (distance) P-C4' energy: -159.728 flat angles C4'-P-C4' energy: -155.958 flat angles P-C4'-P energy: -108.549 tors. eta vs tors. theta energy: -231.325 Dist. restrs. and SS energy: 0.000 (S_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: -2680.675085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.675085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.675085 (E_RNA) where: Base-Base interactions energy: -1897.967 where: short stacking energy: -764.159 Base-Backbone interact. energy: -1.490 local terms energy: -781.218276 where: bonds (distance) C4'-P energy: -122.790 bonds (distance) P-C4' energy: -158.174 flat angles C4'-P-C4' energy: -164.090 flat angles P-C4'-P energy: -110.097 tors. eta vs tors. theta energy: -226.067 Dist. restrs. and SS energy: 0.000 (S_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: -2613.016176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.016176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.016176 (E_RNA) where: Base-Base interactions energy: -1850.518 where: short stacking energy: -746.501 Base-Backbone interact. energy: -4.262 local terms energy: -758.235676 where: bonds (distance) C4'-P energy: -124.791 bonds (distance) P-C4' energy: -142.460 flat angles C4'-P-C4' energy: -163.259 flat angles P-C4'-P energy: -101.826 tors. eta vs tors. theta energy: -225.901 Dist. restrs. and SS energy: 0.000 (S_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: 305 Temperature: 1.050000 Total energy: -2556.880447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.880447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.880447 (E_RNA) where: Base-Base interactions energy: -1789.615 where: short stacking energy: -713.336 Base-Backbone interact. energy: -1.520 local terms energy: -765.745479 where: bonds (distance) C4'-P energy: -123.698 bonds (distance) P-C4' energy: -146.008 flat angles C4'-P-C4' energy: -161.808 flat angles P-C4'-P energy: -107.584 tors. eta vs tors. theta energy: -226.647 Dist. restrs. and SS energy: 0.000 (S_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: 305 Temperature: 1.100000 Total energy: -2483.676111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.676111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.676111 (E_RNA) where: Base-Base interactions energy: -1744.183 where: short stacking energy: -712.662 Base-Backbone interact. energy: 1.838 local terms energy: -741.331522 where: bonds (distance) C4'-P energy: -126.834 bonds (distance) P-C4' energy: -152.296 flat angles C4'-P-C4' energy: -151.920 flat angles P-C4'-P energy: -97.959 tors. eta vs tors. theta energy: -212.323 Dist. restrs. and SS energy: 0.000 (S_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: 305 Temperature: 1.150000 Total energy: -2479.978847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.978847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.978847 (E_RNA) where: Base-Base interactions energy: -1755.123 where: short stacking energy: -709.312 Base-Backbone interact. energy: -1.295 local terms energy: -723.560930 where: bonds (distance) C4'-P energy: -106.346 bonds (distance) P-C4' energy: -138.532 flat angles C4'-P-C4' energy: -153.917 flat angles P-C4'-P energy: -111.468 tors. eta vs tors. theta energy: -213.298 Dist. restrs. and SS energy: 0.000 (S_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: 305 Temperature: 1.200000 Total energy: -2409.764386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.764386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.764386 (E_RNA) where: Base-Base interactions energy: -1693.140 where: short stacking energy: -681.701 Base-Backbone interact. energy: -1.438 local terms energy: -715.186191 where: bonds (distance) C4'-P energy: -116.615 bonds (distance) P-C4' energy: -139.997 flat angles C4'-P-C4' energy: -145.355 flat angles P-C4'-P energy: -104.608 tors. eta vs tors. theta energy: -208.611 Dist. restrs. and SS energy: 0.000 (S_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: 305 Temperature: 1.250000 Total energy: -2308.550241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.550241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.550241 (E_RNA) where: Base-Base interactions energy: -1618.170 where: short stacking energy: -645.689 Base-Backbone interact. energy: -1.446 local terms energy: -688.933926 where: bonds (distance) C4'-P energy: -115.286 bonds (distance) P-C4' energy: -142.198 flat angles C4'-P-C4' energy: -146.373 flat angles P-C4'-P energy: -98.156 tors. eta vs tors. theta energy: -186.921 Dist. restrs. and SS energy: 0.000 (S_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: -2216.867038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.867038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.867038 (E_RNA) where: Base-Base interactions energy: -1543.931 where: short stacking energy: -633.111 Base-Backbone interact. energy: -1.736 local terms energy: -671.199528 where: bonds (distance) C4'-P energy: -106.417 bonds (distance) P-C4' energy: -141.062 flat angles C4'-P-C4' energy: -141.598 flat angles P-C4'-P energy: -95.898 tors. eta vs tors. theta energy: -186.225 Dist. restrs. and SS energy: 0.000 (S_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: 305 Temperature: 1.350000 Total energy: -1914.441213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.441213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.441213 (E_RNA) where: Base-Base interactions energy: -1294.880 where: short stacking energy: -549.771 Base-Backbone interact. energy: -1.667 local terms energy: -617.893805 where: bonds (distance) C4'-P energy: -121.188 bonds (distance) P-C4' energy: -130.387 flat angles C4'-P-C4' energy: -133.921 flat angles P-C4'-P energy: -83.717 tors. eta vs tors. theta energy: -148.681 Dist. restrs. and SS energy: 0.000 (S_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: -2696.280594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.280594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.280594 (E_RNA) where: Base-Base interactions energy: -1933.950 where: short stacking energy: -753.694 Base-Backbone interact. energy: -0.715 local terms energy: -761.615735 where: bonds (distance) C4'-P energy: -118.296 bonds (distance) P-C4' energy: -141.687 flat angles C4'-P-C4' energy: -165.323 flat angles P-C4'-P energy: -111.832 tors. eta vs tors. theta energy: -224.478 Dist. restrs. and SS energy: 0.000 (S_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: 306 Temperature: 0.950000 Total energy: -2647.103049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.103049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.103049 (E_RNA) where: Base-Base interactions energy: -1863.481 where: short stacking energy: -740.250 Base-Backbone interact. energy: -1.845 local terms energy: -781.777781 where: bonds (distance) C4'-P energy: -132.894 bonds (distance) P-C4' energy: -151.171 flat angles C4'-P-C4' energy: -159.067 flat angles P-C4'-P energy: -113.076 tors. eta vs tors. theta energy: -225.569 Dist. restrs. and SS energy: 0.000 (S_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: 306 Temperature: 1.000000 Total energy: -2608.522891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.522891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.522891 (E_RNA) where: Base-Base interactions energy: -1855.139 where: short stacking energy: -732.119 Base-Backbone interact. energy: -2.780 local terms energy: -750.603779 where: bonds (distance) C4'-P energy: -113.683 bonds (distance) P-C4' energy: -139.509 flat angles C4'-P-C4' energy: -161.980 flat angles P-C4'-P energy: -109.370 tors. eta vs tors. theta energy: -226.062 Dist. restrs. and SS energy: 0.000 (S_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: 306 Temperature: 1.050000 Total energy: -2551.634937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.634937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.634937 (E_RNA) where: Base-Base interactions energy: -1791.415 where: short stacking energy: -737.411 Base-Backbone interact. energy: -2.025 local terms energy: -758.194478 where: bonds (distance) C4'-P energy: -123.643 bonds (distance) P-C4' energy: -135.914 flat angles C4'-P-C4' energy: -157.643 flat angles P-C4'-P energy: -119.527 tors. eta vs tors. theta energy: -221.467 Dist. restrs. and SS energy: 0.000 (S_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: 306 Temperature: 1.100000 Total energy: -2504.145709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.145709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.145709 (E_RNA) where: Base-Base interactions energy: -1767.821 where: short stacking energy: -711.002 Base-Backbone interact. energy: -0.769 local terms energy: -735.555396 where: bonds (distance) C4'-P energy: -123.326 bonds (distance) P-C4' energy: -142.601 flat angles C4'-P-C4' energy: -152.275 flat angles P-C4'-P energy: -104.134 tors. eta vs tors. theta energy: -213.219 Dist. restrs. and SS energy: 0.000 (S_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: 306 Temperature: 1.150000 Total energy: -2446.928247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.928247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.928247 (E_RNA) where: Base-Base interactions energy: -1742.431 where: short stacking energy: -710.683 Base-Backbone interact. energy: 0.047 local terms energy: -704.544536 where: bonds (distance) C4'-P energy: -114.861 bonds (distance) P-C4' energy: -129.495 flat angles C4'-P-C4' energy: -147.853 flat angles P-C4'-P energy: -106.542 tors. eta vs tors. theta energy: -205.794 Dist. restrs. and SS energy: 0.000 (S_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: 306 Temperature: 1.200000 Total energy: -2423.741783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.741783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.741783 (E_RNA) where: Base-Base interactions energy: -1721.551 where: short stacking energy: -694.790 Base-Backbone interact. energy: -1.463 local terms energy: -700.728349 where: bonds (distance) C4'-P energy: -110.956 bonds (distance) P-C4' energy: -130.438 flat angles C4'-P-C4' energy: -151.173 flat angles P-C4'-P energy: -100.271 tors. eta vs tors. theta energy: -207.890 Dist. restrs. and SS energy: 0.000 (S_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: 306 Temperature: 1.250000 Total energy: -2335.798437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.798437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.798437 (E_RNA) where: Base-Base interactions energy: -1657.114 where: short stacking energy: -657.133 Base-Backbone interact. energy: -2.545 local terms energy: -676.139000 where: bonds (distance) C4'-P energy: -100.598 bonds (distance) P-C4' energy: -135.380 flat angles C4'-P-C4' energy: -144.689 flat angles P-C4'-P energy: -98.573 tors. eta vs tors. theta energy: -196.899 Dist. restrs. and SS energy: 0.000 (S_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: 306 Temperature: 1.300000 Total energy: -2194.741352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.741352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.741352 (E_RNA) where: Base-Base interactions energy: -1533.078 where: short stacking energy: -636.708 Base-Backbone interact. energy: -0.199 local terms energy: -661.464879 where: bonds (distance) C4'-P energy: -100.898 bonds (distance) P-C4' energy: -136.357 flat angles C4'-P-C4' energy: -139.770 flat angles P-C4'-P energy: -100.275 tors. eta vs tors. theta energy: -184.165 Dist. restrs. and SS energy: 0.000 (S_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: 306 Temperature: 1.350000 Total energy: -1915.750210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.750210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.750210 (E_RNA) where: Base-Base interactions energy: -1317.659 where: short stacking energy: -558.978 Base-Backbone interact. energy: 0.639 local terms energy: -598.730467 where: bonds (distance) C4'-P energy: -112.506 bonds (distance) P-C4' energy: -136.973 flat angles C4'-P-C4' energy: -126.584 flat angles P-C4'-P energy: -76.443 tors. eta vs tors. theta energy: -146.225 Dist. restrs. and SS energy: 0.000 (S_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: -2721.357246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.357246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.357246 (E_RNA) where: Base-Base interactions energy: -1953.595 where: short stacking energy: -763.839 Base-Backbone interact. energy: -2.941 local terms energy: -764.821029 where: bonds (distance) C4'-P energy: -121.898 bonds (distance) P-C4' energy: -152.798 flat angles C4'-P-C4' energy: -155.340 flat angles P-C4'-P energy: -107.761 tors. eta vs tors. theta energy: -227.023 Dist. restrs. and SS energy: 0.000 (S_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: 307 Temperature: 0.950000 Total energy: -2651.926346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.926346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.926346 (E_RNA) where: Base-Base interactions energy: -1878.475 where: short stacking energy: -743.767 Base-Backbone interact. energy: -2.318 local terms energy: -771.133894 where: bonds (distance) C4'-P energy: -128.556 bonds (distance) P-C4' energy: -154.013 flat angles C4'-P-C4' energy: -161.424 flat angles P-C4'-P energy: -99.731 tors. eta vs tors. theta energy: -227.410 Dist. restrs. and SS energy: 0.000 (S_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: 307 Temperature: 1.000000 Total energy: -2622.625271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.625271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.625271 (E_RNA) where: Base-Base interactions energy: -1861.978 where: short stacking energy: -756.637 Base-Backbone interact. energy: -2.351 local terms energy: -758.295848 where: bonds (distance) C4'-P energy: -124.857 bonds (distance) P-C4' energy: -141.202 flat angles C4'-P-C4' energy: -160.864 flat angles P-C4'-P energy: -105.659 tors. eta vs tors. theta energy: -225.715 Dist. restrs. and SS energy: 0.000 (S_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: 307 Temperature: 1.050000 Total energy: -2561.520389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.520389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.520389 (E_RNA) where: Base-Base interactions energy: -1813.954 where: short stacking energy: -731.502 Base-Backbone interact. energy: -1.399 local terms energy: -746.167497 where: bonds (distance) C4'-P energy: -121.800 bonds (distance) P-C4' energy: -145.869 flat angles C4'-P-C4' energy: -151.893 flat angles P-C4'-P energy: -105.123 tors. eta vs tors. theta energy: -221.482 Dist. restrs. and SS energy: 0.000 (S_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: 307 Temperature: 1.100000 Total energy: -2487.370094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.370094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.370094 (E_RNA) where: Base-Base interactions energy: -1760.892 where: short stacking energy: -731.066 Base-Backbone interact. energy: -0.214 local terms energy: -726.263515 where: bonds (distance) C4'-P energy: -114.112 bonds (distance) P-C4' energy: -129.762 flat angles C4'-P-C4' energy: -157.931 flat angles P-C4'-P energy: -110.278 tors. eta vs tors. theta energy: -214.180 Dist. restrs. and SS energy: 0.000 (S_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: 307 Temperature: 1.150000 Total energy: -2464.653192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.653192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.653192 (E_RNA) where: Base-Base interactions energy: -1733.611 where: short stacking energy: -709.259 Base-Backbone interact. energy: -3.103 local terms energy: -727.938825 where: bonds (distance) C4'-P energy: -114.426 bonds (distance) P-C4' energy: -134.245 flat angles C4'-P-C4' energy: -155.367 flat angles P-C4'-P energy: -108.601 tors. eta vs tors. theta energy: -215.299 Dist. restrs. and SS energy: 0.000 (S_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: 307 Temperature: 1.200000 Total energy: -2425.692215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.692215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.692215 (E_RNA) where: Base-Base interactions energy: -1733.044 where: short stacking energy: -697.740 Base-Backbone interact. energy: 2.651 local terms energy: -695.299210 where: bonds (distance) C4'-P energy: -110.033 bonds (distance) P-C4' energy: -134.485 flat angles C4'-P-C4' energy: -149.820 flat angles P-C4'-P energy: -98.614 tors. eta vs tors. theta energy: -202.347 Dist. restrs. and SS energy: 0.000 (S_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: 307 Temperature: 1.250000 Total energy: -2376.496988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.496988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.496988 (E_RNA) where: Base-Base interactions energy: -1663.809 where: short stacking energy: -674.157 Base-Backbone interact. energy: 0.037 local terms energy: -712.724684 where: bonds (distance) C4'-P energy: -101.245 bonds (distance) P-C4' energy: -149.599 flat angles C4'-P-C4' energy: -148.930 flat angles P-C4'-P energy: -103.573 tors. eta vs tors. theta energy: -209.379 Dist. restrs. and SS energy: 0.000 (S_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: 307 Temperature: 1.300000 Total energy: -2225.431535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.431535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.431535 (E_RNA) where: Base-Base interactions energy: -1549.341 where: short stacking energy: -659.381 Base-Backbone interact. energy: -2.286 local terms energy: -673.804294 where: bonds (distance) C4'-P energy: -114.166 bonds (distance) P-C4' energy: -131.241 flat angles C4'-P-C4' energy: -153.559 flat angles P-C4'-P energy: -84.411 tors. eta vs tors. theta energy: -190.427 Dist. restrs. and SS energy: 0.000 (S_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: 307 Temperature: 1.350000 Total energy: -1911.378147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.378147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.378147 (E_RNA) where: Base-Base interactions energy: -1296.356 where: short stacking energy: -540.933 Base-Backbone interact. energy: -0.858 local terms energy: -614.164056 where: bonds (distance) C4'-P energy: -114.446 bonds (distance) P-C4' energy: -131.723 flat angles C4'-P-C4' energy: -129.891 flat angles P-C4'-P energy: -94.873 tors. eta vs tors. theta energy: -143.231 Dist. restrs. and SS energy: 0.000 (S_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: 308 Temperature: 0.900000 Total energy: -2714.076134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.076134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.076134 (E_RNA) where: Base-Base interactions energy: -1943.581 where: short stacking energy: -758.732 Base-Backbone interact. energy: -4.169 local terms energy: -766.325979 where: bonds (distance) C4'-P energy: -116.538 bonds (distance) P-C4' energy: -157.942 flat angles C4'-P-C4' energy: -161.303 flat angles P-C4'-P energy: -108.456 tors. eta vs tors. theta energy: -222.087 Dist. restrs. and SS energy: 0.000 (S_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: 308 Temperature: 0.950000 Total energy: -2662.346848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.346848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.346848 (E_RNA) where: Base-Base interactions energy: -1892.599 where: short stacking energy: -754.039 Base-Backbone interact. energy: -1.601 local terms energy: -768.147241 where: bonds (distance) C4'-P energy: -116.070 bonds (distance) P-C4' energy: -151.680 flat angles C4'-P-C4' energy: -161.324 flat angles P-C4'-P energy: -112.310 tors. eta vs tors. theta energy: -226.764 Dist. restrs. and SS energy: 0.000 (S_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: 308 Temperature: 1.000000 Total energy: -2628.063731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.063731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.063731 (E_RNA) where: Base-Base interactions energy: -1861.649 where: short stacking energy: -741.224 Base-Backbone interact. energy: -2.077 local terms energy: -764.338450 where: bonds (distance) C4'-P energy: -119.509 bonds (distance) P-C4' energy: -140.847 flat angles C4'-P-C4' energy: -163.068 flat angles P-C4'-P energy: -109.779 tors. eta vs tors. theta energy: -231.135 Dist. restrs. and SS energy: 0.000 (S_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: 308 Temperature: 1.050000 Total energy: -2546.907514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.907514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.907514 (E_RNA) where: Base-Base interactions energy: -1789.187 where: short stacking energy: -703.369 Base-Backbone interact. energy: -2.477 local terms energy: -755.243123 where: bonds (distance) C4'-P energy: -124.670 bonds (distance) P-C4' energy: -142.302 flat angles C4'-P-C4' energy: -157.336 flat angles P-C4'-P energy: -109.968 tors. eta vs tors. theta energy: -220.968 Dist. restrs. and SS energy: 0.000 (S_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: 308 Temperature: 1.100000 Total energy: -2553.840905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.840905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.840905 (E_RNA) where: Base-Base interactions energy: -1810.488 where: short stacking energy: -726.761 Base-Backbone interact. energy: -1.751 local terms energy: -741.602148 where: bonds (distance) C4'-P energy: -120.905 bonds (distance) P-C4' energy: -150.643 flat angles C4'-P-C4' energy: -159.232 flat angles P-C4'-P energy: -104.790 tors. eta vs tors. theta energy: -206.032 Dist. restrs. and SS energy: 0.000 (S_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: 308 Temperature: 1.150000 Total energy: -2460.308220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.308220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.308220 (E_RNA) where: Base-Base interactions energy: -1745.634 where: short stacking energy: -711.728 Base-Backbone interact. energy: -1.291 local terms energy: -713.382978 where: bonds (distance) C4'-P energy: -105.818 bonds (distance) P-C4' energy: -147.782 flat angles C4'-P-C4' energy: -151.145 flat angles P-C4'-P energy: -104.571 tors. eta vs tors. theta energy: -204.067 Dist. restrs. and SS energy: 0.000 (S_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: 308 Temperature: 1.200000 Total energy: -2393.338028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.338028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.338028 (E_RNA) where: Base-Base interactions energy: -1683.467 where: short stacking energy: -675.939 Base-Backbone interact. energy: -0.898 local terms energy: -708.973416 where: bonds (distance) C4'-P energy: -110.650 bonds (distance) P-C4' energy: -146.793 flat angles C4'-P-C4' energy: -148.854 flat angles P-C4'-P energy: -105.884 tors. eta vs tors. theta energy: -196.792 Dist. restrs. and SS energy: 0.000 (S_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: 308 Temperature: 1.250000 Total energy: -2331.840675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.840675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.840675 (E_RNA) where: Base-Base interactions energy: -1640.127 where: short stacking energy: -666.483 Base-Backbone interact. energy: 2.081 local terms energy: -693.794806 where: bonds (distance) C4'-P energy: -96.935 bonds (distance) P-C4' energy: -150.182 flat angles C4'-P-C4' energy: -147.509 flat angles P-C4'-P energy: -92.033 tors. eta vs tors. theta energy: -207.137 Dist. restrs. and SS energy: 0.000 (S_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: -2184.204159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.204159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.204159 (E_RNA) where: Base-Base interactions energy: -1526.929 where: short stacking energy: -611.840 Base-Backbone interact. energy: -0.258 local terms energy: -657.016817 where: bonds (distance) C4'-P energy: -101.092 bonds (distance) P-C4' energy: -145.462 flat angles C4'-P-C4' energy: -149.913 flat angles P-C4'-P energy: -88.368 tors. eta vs tors. theta energy: -172.181 Dist. restrs. and SS energy: 0.000 (S_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: 308 Temperature: 1.350000 Total energy: -1912.254613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.254613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.254613 (E_RNA) where: Base-Base interactions energy: -1321.762 where: short stacking energy: -560.275 Base-Backbone interact. energy: -1.253 local terms energy: -589.239657 where: bonds (distance) C4'-P energy: -101.235 bonds (distance) P-C4' energy: -124.720 flat angles C4'-P-C4' energy: -135.887 flat angles P-C4'-P energy: -83.512 tors. eta vs tors. theta energy: -143.885 Dist. restrs. and SS energy: 0.000 (S_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: 309 Temperature: 0.900000 Total energy: -2713.374885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.374885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.374885 (E_RNA) where: Base-Base interactions energy: -1922.833 where: short stacking energy: -774.822 Base-Backbone interact. energy: -1.409 local terms energy: -789.132847 where: bonds (distance) C4'-P energy: -129.970 bonds (distance) P-C4' energy: -155.765 flat angles C4'-P-C4' energy: -166.011 flat angles P-C4'-P energy: -105.950 tors. eta vs tors. theta energy: -231.436 Dist. restrs. and SS energy: 0.000 (S_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: 309 Temperature: 0.950000 Total energy: -2680.068864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.068864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.068864 (E_RNA) where: Base-Base interactions energy: -1902.668 where: short stacking energy: -749.565 Base-Backbone interact. energy: -2.764 local terms energy: -774.636806 where: bonds (distance) C4'-P energy: -126.407 bonds (distance) P-C4' energy: -144.717 flat angles C4'-P-C4' energy: -166.180 flat angles P-C4'-P energy: -117.972 tors. eta vs tors. theta energy: -219.362 Dist. restrs. and SS energy: 0.000 (S_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: 309 Temperature: 1.000000 Total energy: -2629.236825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.236825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.236825 (E_RNA) where: Base-Base interactions energy: -1862.720 where: short stacking energy: -755.322 Base-Backbone interact. energy: -2.156 local terms energy: -764.361667 where: bonds (distance) C4'-P energy: -105.845 bonds (distance) P-C4' energy: -148.463 flat angles C4'-P-C4' energy: -164.434 flat angles P-C4'-P energy: -116.607 tors. eta vs tors. theta energy: -229.013 Dist. restrs. and SS energy: 0.000 (S_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: 309 Temperature: 1.050000 Total energy: -2527.896197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.896197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.896197 (E_RNA) where: Base-Base interactions energy: -1778.091 where: short stacking energy: -735.082 Base-Backbone interact. energy: -1.414 local terms energy: -748.391587 where: bonds (distance) C4'-P energy: -111.239 bonds (distance) P-C4' energy: -149.184 flat angles C4'-P-C4' energy: -151.293 flat angles P-C4'-P energy: -110.644 tors. eta vs tors. theta energy: -226.032 Dist. restrs. and SS energy: 0.000 (S_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: 309 Temperature: 1.100000 Total energy: -2532.200264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.200264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.200264 (E_RNA) where: Base-Base interactions energy: -1800.848 where: short stacking energy: -739.454 Base-Backbone interact. energy: -1.460 local terms energy: -729.892348 where: bonds (distance) C4'-P energy: -105.483 bonds (distance) P-C4' energy: -144.694 flat angles C4'-P-C4' energy: -156.396 flat angles P-C4'-P energy: -97.953 tors. eta vs tors. theta energy: -225.367 Dist. restrs. and SS energy: 0.000 (S_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: 309 Temperature: 1.150000 Total energy: -2479.321631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.321631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.321631 (E_RNA) where: Base-Base interactions energy: -1759.653 where: short stacking energy: -694.163 Base-Backbone interact. energy: -0.862 local terms energy: -718.806783 where: bonds (distance) C4'-P energy: -114.947 bonds (distance) P-C4' energy: -133.570 flat angles C4'-P-C4' energy: -162.182 flat angles P-C4'-P energy: -97.315 tors. eta vs tors. theta energy: -210.793 Dist. restrs. and SS energy: 0.000 (S_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: 309 Temperature: 1.200000 Total energy: -2402.745393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.745393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.745393 (E_RNA) where: Base-Base interactions energy: -1721.446 where: short stacking energy: -689.060 Base-Backbone interact. energy: -1.444 local terms energy: -679.855244 where: bonds (distance) C4'-P energy: -109.118 bonds (distance) P-C4' energy: -138.067 flat angles C4'-P-C4' energy: -142.877 flat angles P-C4'-P energy: -89.517 tors. eta vs tors. theta energy: -200.275 Dist. restrs. and SS energy: 0.000 (S_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: 309 Temperature: 1.250000 Total energy: -2312.089009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.089009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.089009 (E_RNA) where: Base-Base interactions energy: -1626.180 where: short stacking energy: -662.233 Base-Backbone interact. energy: -2.522 local terms energy: -683.386849 where: bonds (distance) C4'-P energy: -104.130 bonds (distance) P-C4' energy: -146.465 flat angles C4'-P-C4' energy: -137.956 flat angles P-C4'-P energy: -94.068 tors. eta vs tors. theta energy: -200.768 Dist. restrs. and SS energy: 0.000 (S_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: 309 Temperature: 1.300000 Total energy: -2219.737861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.737861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.737861 (E_RNA) where: Base-Base interactions energy: -1553.059 where: short stacking energy: -620.616 Base-Backbone interact. energy: -0.532 local terms energy: -666.147578 where: bonds (distance) C4'-P energy: -106.691 bonds (distance) P-C4' energy: -146.491 flat angles C4'-P-C4' energy: -139.438 flat angles P-C4'-P energy: -101.431 tors. eta vs tors. theta energy: -172.097 Dist. restrs. and SS energy: 0.000 (S_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: 309 Temperature: 1.350000 Total energy: -1975.757152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.757152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.757152 (E_RNA) where: Base-Base interactions energy: -1327.147 where: short stacking energy: -554.131 Base-Backbone interact. energy: -2.305 local terms energy: -646.304842 where: bonds (distance) C4'-P energy: -111.194 bonds (distance) P-C4' energy: -138.694 flat angles C4'-P-C4' energy: -153.162 flat angles P-C4'-P energy: -88.533 tors. eta vs tors. theta energy: -154.722 Dist. restrs. and SS energy: 0.000 (S_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: 310 Temperature: 0.900000 Total energy: -2707.253104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.253104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.253104 (E_RNA) where: Base-Base interactions energy: -1936.260 where: short stacking energy: -769.583 Base-Backbone interact. energy: -0.482 local terms energy: -770.510792 where: bonds (distance) C4'-P energy: -117.957 bonds (distance) P-C4' energy: -152.827 flat angles C4'-P-C4' energy: -162.760 flat angles P-C4'-P energy: -109.744 tors. eta vs tors. theta energy: -227.224 Dist. restrs. and SS energy: 0.000 (S_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: 310 Temperature: 0.950000 Total energy: -2700.159863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.159863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.159863 (E_RNA) where: Base-Base interactions energy: -1926.479 where: short stacking energy: -765.103 Base-Backbone interact. energy: -3.520 local terms energy: -770.160911 where: bonds (distance) C4'-P energy: -126.537 bonds (distance) P-C4' energy: -142.790 flat angles C4'-P-C4' energy: -157.450 flat angles P-C4'-P energy: -110.284 tors. eta vs tors. theta energy: -233.100 Dist. restrs. and SS energy: 0.000 (S_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: 310 Temperature: 1.000000 Total energy: -2633.019090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.019090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.019090 (E_RNA) where: Base-Base interactions energy: -1862.218 where: short stacking energy: -739.986 Base-Backbone interact. energy: -1.891 local terms energy: -768.909871 where: bonds (distance) C4'-P energy: -121.752 bonds (distance) P-C4' energy: -156.500 flat angles C4'-P-C4' energy: -162.467 flat angles P-C4'-P energy: -102.570 tors. eta vs tors. theta energy: -225.621 Dist. restrs. and SS energy: 0.000 (S_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: 310 Temperature: 1.050000 Total energy: -2527.077587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.077587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.077587 (E_RNA) where: Base-Base interactions energy: -1806.789 where: short stacking energy: -729.933 Base-Backbone interact. energy: -1.253 local terms energy: -719.035470 where: bonds (distance) C4'-P energy: -97.289 bonds (distance) P-C4' energy: -138.110 flat angles C4'-P-C4' energy: -156.674 flat angles P-C4'-P energy: -108.153 tors. eta vs tors. theta energy: -218.810 Dist. restrs. and SS energy: 0.000 (S_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: 310 Temperature: 1.100000 Total energy: -2523.142734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.142734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.142734 (E_RNA) where: Base-Base interactions energy: -1777.795 where: short stacking energy: -732.946 Base-Backbone interact. energy: -3.218 local terms energy: -742.130458 where: bonds (distance) C4'-P energy: -115.246 bonds (distance) P-C4' energy: -134.796 flat angles C4'-P-C4' energy: -163.929 flat angles P-C4'-P energy: -105.157 tors. eta vs tors. theta energy: -223.002 Dist. restrs. and SS energy: 0.000 (S_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: 310 Temperature: 1.150000 Total energy: -2466.212042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.212042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.212042 (E_RNA) where: Base-Base interactions energy: -1738.054 where: short stacking energy: -713.108 Base-Backbone interact. energy: -0.627 local terms energy: -727.530620 where: bonds (distance) C4'-P energy: -108.655 bonds (distance) P-C4' energy: -152.873 flat angles C4'-P-C4' energy: -144.452 flat angles P-C4'-P energy: -104.200 tors. eta vs tors. theta energy: -217.351 Dist. restrs. and SS energy: 0.000 (S_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: 310 Temperature: 1.200000 Total energy: -2417.401354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.401354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.401354 (E_RNA) where: Base-Base interactions energy: -1709.420 where: short stacking energy: -681.622 Base-Backbone interact. energy: -1.268 local terms energy: -706.713193 where: bonds (distance) C4'-P energy: -114.038 bonds (distance) P-C4' energy: -142.966 flat angles C4'-P-C4' energy: -145.529 flat angles P-C4'-P energy: -105.320 tors. eta vs tors. theta energy: -198.861 Dist. restrs. and SS energy: 0.000 (S_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: 310 Temperature: 1.250000 Total energy: -2318.331978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.331978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.331978 (E_RNA) where: Base-Base interactions energy: -1628.626 where: short stacking energy: -645.340 Base-Backbone interact. energy: -0.883 local terms energy: -688.822590 where: bonds (distance) C4'-P energy: -111.425 bonds (distance) P-C4' energy: -146.120 flat angles C4'-P-C4' energy: -147.040 flat angles P-C4'-P energy: -95.259 tors. eta vs tors. theta energy: -188.978 Dist. restrs. and SS energy: 0.000 (S_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: 310 Temperature: 1.300000 Total energy: -2216.191583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.191583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.191583 (E_RNA) where: Base-Base interactions energy: -1563.853 where: short stacking energy: -621.938 Base-Backbone interact. energy: -0.959 local terms energy: -651.379658 where: bonds (distance) C4'-P energy: -100.594 bonds (distance) P-C4' energy: -136.725 flat angles C4'-P-C4' energy: -140.218 flat angles P-C4'-P energy: -100.516 tors. eta vs tors. theta energy: -173.328 Dist. restrs. and SS energy: 0.000 (S_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: 310 Temperature: 1.350000 Total energy: -1981.913845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.913845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.913845 (E_RNA) where: Base-Base interactions energy: -1365.570 where: short stacking energy: -565.280 Base-Backbone interact. energy: 4.992 local terms energy: -621.335945 where: bonds (distance) C4'-P energy: -94.155 bonds (distance) P-C4' energy: -149.326 flat angles C4'-P-C4' energy: -133.813 flat angles P-C4'-P energy: -83.354 tors. eta vs tors. theta energy: -160.689 Dist. restrs. and SS energy: 0.000 (S_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: 311 Temperature: 0.900000 Total energy: -2717.024192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.024192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.024192 (E_RNA) where: Base-Base interactions energy: -1932.021 where: short stacking energy: -776.647 Base-Backbone interact. energy: -1.436 local terms energy: -783.567541 where: bonds (distance) C4'-P energy: -119.420 bonds (distance) P-C4' energy: -159.118 flat angles C4'-P-C4' energy: -159.197 flat angles P-C4'-P energy: -119.384 tors. eta vs tors. theta energy: -226.449 Dist. restrs. and SS energy: 0.000 (S_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: 311 Temperature: 0.950000 Total energy: -2677.583004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.583004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.583004 (E_RNA) where: Base-Base interactions energy: -1904.493 where: short stacking energy: -754.807 Base-Backbone interact. energy: -1.966 local terms energy: -771.123775 where: bonds (distance) C4'-P energy: -120.595 bonds (distance) P-C4' energy: -150.830 flat angles C4'-P-C4' energy: -157.639 flat angles P-C4'-P energy: -112.099 tors. eta vs tors. theta energy: -229.960 Dist. restrs. and SS energy: 0.000 (S_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: -2640.332477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.332477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.332477 (E_RNA) where: Base-Base interactions energy: -1865.694 where: short stacking energy: -760.509 Base-Backbone interact. energy: -2.798 local terms energy: -771.840837 where: bonds (distance) C4'-P energy: -126.450 bonds (distance) P-C4' energy: -150.304 flat angles C4'-P-C4' energy: -155.779 flat angles P-C4'-P energy: -109.998 tors. eta vs tors. theta energy: -229.311 Dist. restrs. and SS energy: 0.000 (S_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: 311 Temperature: 1.050000 Total energy: -2532.376162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.376162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.376162 (E_RNA) where: Base-Base interactions energy: -1785.210 where: short stacking energy: -730.429 Base-Backbone interact. energy: 2.361 local terms energy: -749.527181 where: bonds (distance) C4'-P energy: -122.659 bonds (distance) P-C4' energy: -142.278 flat angles C4'-P-C4' energy: -157.354 flat angles P-C4'-P energy: -106.829 tors. eta vs tors. theta energy: -220.407 Dist. restrs. and SS energy: 0.000 (S_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: 311 Temperature: 1.100000 Total energy: -2500.002203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.002203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.002203 (E_RNA) where: Base-Base interactions energy: -1761.432 where: short stacking energy: -717.403 Base-Backbone interact. energy: -1.784 local terms energy: -736.786665 where: bonds (distance) C4'-P energy: -121.670 bonds (distance) P-C4' energy: -142.145 flat angles C4'-P-C4' energy: -154.562 flat angles P-C4'-P energy: -108.550 tors. eta vs tors. theta energy: -209.859 Dist. restrs. and SS energy: 0.000 (S_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: 311 Temperature: 1.150000 Total energy: -2470.971944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.971944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.971944 (E_RNA) where: Base-Base interactions energy: -1741.904 where: short stacking energy: -706.803 Base-Backbone interact. energy: -1.488 local terms energy: -727.579705 where: bonds (distance) C4'-P energy: -113.483 bonds (distance) P-C4' energy: -146.615 flat angles C4'-P-C4' energy: -143.085 flat angles P-C4'-P energy: -102.750 tors. eta vs tors. theta energy: -221.647 Dist. restrs. and SS energy: 0.000 (S_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: 311 Temperature: 1.200000 Total energy: -2397.129309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.129309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.129309 (E_RNA) where: Base-Base interactions energy: -1688.717 where: short stacking energy: -679.246 Base-Backbone interact. energy: -2.942 local terms energy: -705.469965 where: bonds (distance) C4'-P energy: -96.182 bonds (distance) P-C4' energy: -150.452 flat angles C4'-P-C4' energy: -153.957 flat angles P-C4'-P energy: -96.179 tors. eta vs tors. theta energy: -208.701 Dist. restrs. and SS energy: 0.000 (S_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: 311 Temperature: 1.250000 Total energy: -2276.008303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.008303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.008303 (E_RNA) where: Base-Base interactions energy: -1608.478 where: short stacking energy: -636.556 Base-Backbone interact. energy: -0.844 local terms energy: -666.686399 where: bonds (distance) C4'-P energy: -91.928 bonds (distance) P-C4' energy: -148.082 flat angles C4'-P-C4' energy: -149.922 flat angles P-C4'-P energy: -98.187 tors. eta vs tors. theta energy: -178.567 Dist. restrs. and SS energy: 0.000 (S_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: 311 Temperature: 1.300000 Total energy: -2220.084816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.084816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.084816 (E_RNA) where: Base-Base interactions energy: -1559.264 where: short stacking energy: -641.990 Base-Backbone interact. energy: 0.983 local terms energy: -661.804442 where: bonds (distance) C4'-P energy: -98.500 bonds (distance) P-C4' energy: -141.096 flat angles C4'-P-C4' energy: -144.682 flat angles P-C4'-P energy: -99.636 tors. eta vs tors. theta energy: -177.890 Dist. restrs. and SS energy: 0.000 (S_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: 311 Temperature: 1.350000 Total energy: -2003.260937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.260937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.260937 (E_RNA) where: Base-Base interactions energy: -1379.903 where: short stacking energy: -576.536 Base-Backbone interact. energy: -0.938 local terms energy: -622.419884 where: bonds (distance) C4'-P energy: -108.762 bonds (distance) P-C4' energy: -142.189 flat angles C4'-P-C4' energy: -140.349 flat angles P-C4'-P energy: -86.770 tors. eta vs tors. theta energy: -144.351 Dist. restrs. and SS energy: 0.000 (S_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: 312 Temperature: 0.900000 Total energy: -2711.133636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.133636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.133636 (E_RNA) where: Base-Base interactions energy: -1943.010 where: short stacking energy: -780.264 Base-Backbone interact. energy: -0.927 local terms energy: -767.196231 where: bonds (distance) C4'-P energy: -114.558 bonds (distance) P-C4' energy: -150.561 flat angles C4'-P-C4' energy: -159.672 flat angles P-C4'-P energy: -117.086 tors. eta vs tors. theta energy: -225.320 Dist. restrs. and SS energy: 0.000 (S_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: 312 Temperature: 0.950000 Total energy: -2673.127302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.127302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.127302 (E_RNA) where: Base-Base interactions energy: -1901.451 where: short stacking energy: -758.101 Base-Backbone interact. energy: 0.042 local terms energy: -771.718364 where: bonds (distance) C4'-P energy: -124.650 bonds (distance) P-C4' energy: -155.571 flat angles C4'-P-C4' energy: -155.896 flat angles P-C4'-P energy: -114.471 tors. eta vs tors. theta energy: -221.131 Dist. restrs. and SS energy: 0.000 (S_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: 312 Temperature: 1.000000 Total energy: -2629.276603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.276603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.276603 (E_RNA) where: Base-Base interactions energy: -1863.866 where: short stacking energy: -756.384 Base-Backbone interact. energy: -2.900 local terms energy: -762.510873 where: bonds (distance) C4'-P energy: -108.942 bonds (distance) P-C4' energy: -149.484 flat angles C4'-P-C4' energy: -162.046 flat angles P-C4'-P energy: -114.661 tors. eta vs tors. theta energy: -227.377 Dist. restrs. and SS energy: 0.000 (S_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: 312 Temperature: 1.050000 Total energy: -2537.900696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.900696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.900696 (E_RNA) where: Base-Base interactions energy: -1801.488 where: short stacking energy: -730.326 Base-Backbone interact. energy: -1.664 local terms energy: -734.748378 where: bonds (distance) C4'-P energy: -113.174 bonds (distance) P-C4' energy: -141.491 flat angles C4'-P-C4' energy: -157.746 flat angles P-C4'-P energy: -105.883 tors. eta vs tors. theta energy: -216.454 Dist. restrs. and SS energy: 0.000 (S_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: 312 Temperature: 1.100000 Total energy: -2510.901936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.901936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.901936 (E_RNA) where: Base-Base interactions energy: -1771.917 where: short stacking energy: -714.360 Base-Backbone interact. energy: -1.057 local terms energy: -737.928132 where: bonds (distance) C4'-P energy: -112.830 bonds (distance) P-C4' energy: -150.938 flat angles C4'-P-C4' energy: -150.921 flat angles P-C4'-P energy: -106.287 tors. eta vs tors. theta energy: -216.953 Dist. restrs. and SS energy: 0.000 (S_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: 312 Temperature: 1.150000 Total energy: -2441.634954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.634954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.634954 (E_RNA) where: Base-Base interactions energy: -1733.851 where: short stacking energy: -693.195 Base-Backbone interact. energy: -1.482 local terms energy: -706.301615 where: bonds (distance) C4'-P energy: -118.819 bonds (distance) P-C4' energy: -137.133 flat angles C4'-P-C4' energy: -147.578 flat angles P-C4'-P energy: -91.641 tors. eta vs tors. theta energy: -211.131 Dist. restrs. and SS energy: 0.000 (S_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: -2418.238004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.238004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.238004 (E_RNA) where: Base-Base interactions energy: -1693.218 where: short stacking energy: -686.900 Base-Backbone interact. energy: -0.713 local terms energy: -724.306929 where: bonds (distance) C4'-P energy: -115.399 bonds (distance) P-C4' energy: -139.653 flat angles C4'-P-C4' energy: -148.659 flat angles P-C4'-P energy: -99.984 tors. eta vs tors. theta energy: -220.611 Dist. restrs. and SS energy: 0.000 (S_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: -2292.341686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.341686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.341686 (E_RNA) where: Base-Base interactions energy: -1612.477 where: short stacking energy: -648.871 Base-Backbone interact. energy: -0.796 local terms energy: -679.069121 where: bonds (distance) C4'-P energy: -118.538 bonds (distance) P-C4' energy: -130.606 flat angles C4'-P-C4' energy: -140.092 flat angles P-C4'-P energy: -95.895 tors. eta vs tors. theta energy: -193.939 Dist. restrs. and SS energy: 0.000 (S_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: 312 Temperature: 1.300000 Total energy: -2192.922262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.922262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.922262 (E_RNA) where: Base-Base interactions energy: -1545.118 where: short stacking energy: -629.229 Base-Backbone interact. energy: -0.391 local terms energy: -647.413628 where: bonds (distance) C4'-P energy: -100.872 bonds (distance) P-C4' energy: -144.876 flat angles C4'-P-C4' energy: -129.526 flat angles P-C4'-P energy: -89.368 tors. eta vs tors. theta energy: -182.772 Dist. restrs. and SS energy: 0.000 (S_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: 312 Temperature: 1.350000 Total energy: -2007.535832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.535832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.535832 (E_RNA) where: Base-Base interactions energy: -1378.378 where: short stacking energy: -580.258 Base-Backbone interact. energy: -1.167 local terms energy: -627.990800 where: bonds (distance) C4'-P energy: -101.715 bonds (distance) P-C4' energy: -143.987 flat angles C4'-P-C4' energy: -132.353 flat angles P-C4'-P energy: -88.674 tors. eta vs tors. theta energy: -161.262 Dist. restrs. and SS energy: 0.000 (S_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: 313 Temperature: 0.900000 Total energy: -2694.107645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.107645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.107645 (E_RNA) where: Base-Base interactions energy: -1928.140 where: short stacking energy: -762.311 Base-Backbone interact. energy: -3.785 local terms energy: -762.182835 where: bonds (distance) C4'-P energy: -125.642 bonds (distance) P-C4' energy: -147.135 flat angles C4'-P-C4' energy: -159.661 flat angles P-C4'-P energy: -103.312 tors. eta vs tors. theta energy: -226.433 Dist. restrs. and SS energy: 0.000 (S_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: 313 Temperature: 0.950000 Total energy: -2667.011091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.011091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.011091 (E_RNA) where: Base-Base interactions energy: -1893.772 where: short stacking energy: -752.839 Base-Backbone interact. energy: -0.504 local terms energy: -772.734808 where: bonds (distance) C4'-P energy: -126.390 bonds (distance) P-C4' energy: -153.121 flat angles C4'-P-C4' energy: -163.053 flat angles P-C4'-P energy: -109.813 tors. eta vs tors. theta energy: -220.359 Dist. restrs. and SS energy: 0.000 (S_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: 313 Temperature: 1.000000 Total energy: -2629.475031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.475031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.475031 (E_RNA) where: Base-Base interactions energy: -1861.329 where: short stacking energy: -752.358 Base-Backbone interact. energy: -2.681 local terms energy: -765.464638 where: bonds (distance) C4'-P energy: -122.344 bonds (distance) P-C4' energy: -150.417 flat angles C4'-P-C4' energy: -148.667 flat angles P-C4'-P energy: -111.244 tors. eta vs tors. theta energy: -232.791 Dist. restrs. and SS energy: 0.000 (S_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: 313 Temperature: 1.050000 Total energy: -2548.170661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.170661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.170661 (E_RNA) where: Base-Base interactions energy: -1796.366 where: short stacking energy: -741.726 Base-Backbone interact. energy: 4.694 local terms energy: -756.499252 where: bonds (distance) C4'-P energy: -112.435 bonds (distance) P-C4' energy: -141.333 flat angles C4'-P-C4' energy: -164.466 flat angles P-C4'-P energy: -109.756 tors. eta vs tors. theta energy: -228.509 Dist. restrs. and SS energy: 0.000 (S_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: 313 Temperature: 1.100000 Total energy: -2511.780031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.780031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.780031 (E_RNA) where: Base-Base interactions energy: -1772.477 where: short stacking energy: -712.467 Base-Backbone interact. energy: -0.901 local terms energy: -738.401921 where: bonds (distance) C4'-P energy: -112.575 bonds (distance) P-C4' energy: -150.005 flat angles C4'-P-C4' energy: -148.172 flat angles P-C4'-P energy: -109.718 tors. eta vs tors. theta energy: -217.931 Dist. restrs. and SS energy: 0.000 (S_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: 313 Temperature: 1.150000 Total energy: -2435.873700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.873700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.873700 (E_RNA) where: Base-Base interactions energy: -1721.608 where: short stacking energy: -708.066 Base-Backbone interact. energy: -0.923 local terms energy: -713.342295 where: bonds (distance) C4'-P energy: -110.024 bonds (distance) P-C4' energy: -137.565 flat angles C4'-P-C4' energy: -152.734 flat angles P-C4'-P energy: -105.410 tors. eta vs tors. theta energy: -207.610 Dist. restrs. and SS energy: 0.000 (S_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: 313 Temperature: 1.200000 Total energy: -2418.965228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.965228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.965228 (E_RNA) where: Base-Base interactions energy: -1726.080 where: short stacking energy: -689.218 Base-Backbone interact. energy: 0.828 local terms energy: -693.713247 where: bonds (distance) C4'-P energy: -109.420 bonds (distance) P-C4' energy: -147.495 flat angles C4'-P-C4' energy: -141.864 flat angles P-C4'-P energy: -100.571 tors. eta vs tors. theta energy: -194.363 Dist. restrs. and SS energy: 0.000 (S_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: 313 Temperature: 1.250000 Total energy: -2221.482471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.482471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.482471 (E_RNA) where: Base-Base interactions energy: -1577.837 where: short stacking energy: -638.670 Base-Backbone interact. energy: 0.230 local terms energy: -643.875161 where: bonds (distance) C4'-P energy: -87.349 bonds (distance) P-C4' energy: -137.765 flat angles C4'-P-C4' energy: -141.751 flat angles P-C4'-P energy: -86.081 tors. eta vs tors. theta energy: -190.929 Dist. restrs. and SS energy: 0.000 (S_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: -2257.458693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.458693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.458693 (E_RNA) where: Base-Base interactions energy: -1602.192 where: short stacking energy: -659.192 Base-Backbone interact. energy: 0.833 local terms energy: -656.100120 where: bonds (distance) C4'-P energy: -103.535 bonds (distance) P-C4' energy: -134.667 flat angles C4'-P-C4' energy: -144.371 flat angles P-C4'-P energy: -84.329 tors. eta vs tors. theta energy: -189.197 Dist. restrs. and SS energy: 0.000 (S_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: 313 Temperature: 1.350000 Total energy: -2020.898350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.898350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.898350 (E_RNA) where: Base-Base interactions energy: -1387.751 where: short stacking energy: -564.639 Base-Backbone interact. energy: -0.249 local terms energy: -632.898551 where: bonds (distance) C4'-P energy: -101.905 bonds (distance) P-C4' energy: -135.466 flat angles C4'-P-C4' energy: -141.788 flat angles P-C4'-P energy: -99.963 tors. eta vs tors. theta energy: -153.777 Dist. restrs. and SS energy: 0.000 (S_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: 314 Temperature: 0.900000 Total energy: -2705.922393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.922393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.922393 (E_RNA) where: Base-Base interactions energy: -1913.203 where: short stacking energy: -760.177 Base-Backbone interact. energy: -2.604 local terms energy: -790.115676 where: bonds (distance) C4'-P energy: -122.916 bonds (distance) P-C4' energy: -158.905 flat angles C4'-P-C4' energy: -169.041 flat angles P-C4'-P energy: -114.925 tors. eta vs tors. theta energy: -224.328 Dist. restrs. and SS energy: 0.000 (S_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: 314 Temperature: 0.950000 Total energy: -2687.515492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.515492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.515492 (E_RNA) where: Base-Base interactions energy: -1936.803 where: short stacking energy: -766.951 Base-Backbone interact. energy: -2.608 local terms energy: -748.104537 where: bonds (distance) C4'-P energy: -105.494 bonds (distance) P-C4' energy: -153.188 flat angles C4'-P-C4' energy: -156.929 flat angles P-C4'-P energy: -105.418 tors. eta vs tors. theta energy: -227.075 Dist. restrs. and SS energy: 0.000 (S_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: 314 Temperature: 1.000000 Total energy: -2608.855824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.855824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.855824 (E_RNA) where: Base-Base interactions energy: -1842.483 where: short stacking energy: -745.035 Base-Backbone interact. energy: -1.710 local terms energy: -764.662354 where: bonds (distance) C4'-P energy: -120.467 bonds (distance) P-C4' energy: -154.354 flat angles C4'-P-C4' energy: -158.719 flat angles P-C4'-P energy: -102.041 tors. eta vs tors. theta energy: -229.081 Dist. restrs. and SS energy: 0.000 (S_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: 314 Temperature: 1.050000 Total energy: -2563.249786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.249786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.249786 (E_RNA) where: Base-Base interactions energy: -1810.138 where: short stacking energy: -728.297 Base-Backbone interact. energy: -0.087 local terms energy: -753.024945 where: bonds (distance) C4'-P energy: -120.957 bonds (distance) P-C4' energy: -134.194 flat angles C4'-P-C4' energy: -164.644 flat angles P-C4'-P energy: -106.734 tors. eta vs tors. theta energy: -226.496 Dist. restrs. and SS energy: 0.000 (S_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: 314 Temperature: 1.100000 Total energy: -2431.652172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.652172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.652172 (E_RNA) where: Base-Base interactions energy: -1714.346 where: short stacking energy: -691.809 Base-Backbone interact. energy: -1.539 local terms energy: -715.767387 where: bonds (distance) C4'-P energy: -118.951 bonds (distance) P-C4' energy: -145.964 flat angles C4'-P-C4' energy: -146.324 flat angles P-C4'-P energy: -101.452 tors. eta vs tors. theta energy: -203.076 Dist. restrs. and SS energy: 0.000 (S_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: 314 Temperature: 1.150000 Total energy: -2513.326710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.326710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.326710 (E_RNA) where: Base-Base interactions energy: -1794.182 where: short stacking energy: -724.065 Base-Backbone interact. energy: -0.924 local terms energy: -718.220234 where: bonds (distance) C4'-P energy: -96.615 bonds (distance) P-C4' energy: -142.238 flat angles C4'-P-C4' energy: -157.668 flat angles P-C4'-P energy: -102.416 tors. eta vs tors. theta energy: -219.284 Dist. restrs. and SS energy: 0.000 (S_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: 314 Temperature: 1.200000 Total energy: -2408.119916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.119916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.119916 (E_RNA) where: Base-Base interactions energy: -1688.424 where: short stacking energy: -678.524 Base-Backbone interact. energy: 0.205 local terms energy: -719.901116 where: bonds (distance) C4'-P energy: -123.588 bonds (distance) P-C4' energy: -137.063 flat angles C4'-P-C4' energy: -153.631 flat angles P-C4'-P energy: -100.696 tors. eta vs tors. theta energy: -204.923 Dist. restrs. and SS energy: 0.000 (S_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: 314 Temperature: 1.250000 Total energy: -2195.074000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.074000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.074000 (E_RNA) where: Base-Base interactions energy: -1524.909 where: short stacking energy: -623.034 Base-Backbone interact. energy: -2.306 local terms energy: -667.858759 where: bonds (distance) C4'-P energy: -111.626 bonds (distance) P-C4' energy: -141.254 flat angles C4'-P-C4' energy: -144.793 flat angles P-C4'-P energy: -92.130 tors. eta vs tors. theta energy: -178.055 Dist. restrs. and SS energy: 0.000 (S_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: 314 Temperature: 1.300000 Total energy: -2233.898356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.898356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.898356 (E_RNA) where: Base-Base interactions energy: -1569.763 where: short stacking energy: -633.760 Base-Backbone interact. energy: 2.877 local terms energy: -667.012407 where: bonds (distance) C4'-P energy: -110.830 bonds (distance) P-C4' energy: -122.303 flat angles C4'-P-C4' energy: -137.223 flat angles P-C4'-P energy: -102.293 tors. eta vs tors. theta energy: -194.363 Dist. restrs. and SS energy: 0.000 (S_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: 314 Temperature: 1.350000 Total energy: -2095.933405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.933405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.933405 (E_RNA) where: Base-Base interactions energy: -1455.446 where: short stacking energy: -605.592 Base-Backbone interact. energy: -0.829 local terms energy: -639.658682 where: bonds (distance) C4'-P energy: -115.827 bonds (distance) P-C4' energy: -133.100 flat angles C4'-P-C4' energy: -141.718 flat angles P-C4'-P energy: -82.863 tors. eta vs tors. theta energy: -166.150 Dist. restrs. and SS energy: 0.000 (S_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: 315 Temperature: 0.900000 Total energy: -2694.703611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.703611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.703611 (E_RNA) where: Base-Base interactions energy: -1909.270 where: short stacking energy: -757.556 Base-Backbone interact. energy: -2.475 local terms energy: -782.958452 where: bonds (distance) C4'-P energy: -125.817 bonds (distance) P-C4' energy: -154.820 flat angles C4'-P-C4' energy: -163.358 flat angles P-C4'-P energy: -112.148 tors. eta vs tors. theta energy: -226.815 Dist. restrs. and SS energy: 0.000 (S_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: 315 Temperature: 0.950000 Total energy: -2680.216456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.216456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.216456 (E_RNA) where: Base-Base interactions energy: -1905.213 where: short stacking energy: -763.006 Base-Backbone interact. energy: -2.737 local terms energy: -772.266564 where: bonds (distance) C4'-P energy: -107.282 bonds (distance) P-C4' energy: -167.166 flat angles C4'-P-C4' energy: -161.391 flat angles P-C4'-P energy: -110.782 tors. eta vs tors. theta energy: -225.647 Dist. restrs. and SS energy: 0.000 (S_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: 315 Temperature: 1.000000 Total energy: -2615.218927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.218927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.218927 (E_RNA) where: Base-Base interactions energy: -1859.976 where: short stacking energy: -743.429 Base-Backbone interact. energy: 0.109 local terms energy: -755.351611 where: bonds (distance) C4'-P energy: -124.302 bonds (distance) P-C4' energy: -141.884 flat angles C4'-P-C4' energy: -152.058 flat angles P-C4'-P energy: -116.480 tors. eta vs tors. theta energy: -220.628 Dist. restrs. and SS energy: 0.000 (S_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: 315 Temperature: 1.050000 Total energy: -2573.457706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.457706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.457706 (E_RNA) where: Base-Base interactions energy: -1811.287 where: short stacking energy: -738.979 Base-Backbone interact. energy: -0.396 local terms energy: -761.775047 where: bonds (distance) C4'-P energy: -122.994 bonds (distance) P-C4' energy: -155.394 flat angles C4'-P-C4' energy: -156.925 flat angles P-C4'-P energy: -106.520 tors. eta vs tors. theta energy: -219.941 Dist. restrs. and SS energy: 0.000 (S_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: 315 Temperature: 1.100000 Total energy: -2458.847547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.847547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.847547 (E_RNA) where: Base-Base interactions energy: -1728.447 where: short stacking energy: -708.451 Base-Backbone interact. energy: -1.078 local terms energy: -729.322726 where: bonds (distance) C4'-P energy: -118.393 bonds (distance) P-C4' energy: -152.339 flat angles C4'-P-C4' energy: -149.956 flat angles P-C4'-P energy: -105.459 tors. eta vs tors. theta energy: -203.175 Dist. restrs. and SS energy: 0.000 (S_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: 315 Temperature: 1.150000 Total energy: -2435.872927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.872927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.872927 (E_RNA) where: Base-Base interactions energy: -1715.515 where: short stacking energy: -684.794 Base-Backbone interact. energy: -1.979 local terms energy: -718.379570 where: bonds (distance) C4'-P energy: -106.890 bonds (distance) P-C4' energy: -147.080 flat angles C4'-P-C4' energy: -149.502 flat angles P-C4'-P energy: -102.768 tors. eta vs tors. theta energy: -212.139 Dist. restrs. and SS energy: 0.000 (S_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: 315 Temperature: 1.200000 Total energy: -2443.954429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.954429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.954429 (E_RNA) where: Base-Base interactions energy: -1741.793 where: short stacking energy: -704.615 Base-Backbone interact. energy: -2.652 local terms energy: -699.509336 where: bonds (distance) C4'-P energy: -101.770 bonds (distance) P-C4' energy: -137.840 flat angles C4'-P-C4' energy: -157.660 flat angles P-C4'-P energy: -88.216 tors. eta vs tors. theta energy: -214.023 Dist. restrs. and SS energy: 0.000 (S_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: 315 Temperature: 1.250000 Total energy: -2261.108926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.108926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.108926 (E_RNA) where: Base-Base interactions energy: -1591.866 where: short stacking energy: -635.950 Base-Backbone interact. energy: -0.962 local terms energy: -668.281141 where: bonds (distance) C4'-P energy: -113.904 bonds (distance) P-C4' energy: -129.308 flat angles C4'-P-C4' energy: -139.991 flat angles P-C4'-P energy: -93.670 tors. eta vs tors. theta energy: -191.409 Dist. restrs. and SS energy: 0.000 (S_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: 315 Temperature: 1.300000 Total energy: -2212.937079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.937079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.937079 (E_RNA) where: Base-Base interactions energy: -1547.309 where: short stacking energy: -623.538 Base-Backbone interact. energy: 3.463 local terms energy: -669.090930 where: bonds (distance) C4'-P energy: -108.277 bonds (distance) P-C4' energy: -151.249 flat angles C4'-P-C4' energy: -141.239 flat angles P-C4'-P energy: -95.525 tors. eta vs tors. theta energy: -172.801 Dist. restrs. and SS energy: 0.000 (S_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: 315 Temperature: 1.350000 Total energy: -2073.256868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.256868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.256868 (E_RNA) where: Base-Base interactions energy: -1449.998 where: short stacking energy: -612.501 Base-Backbone interact. energy: -0.716 local terms energy: -622.543644 where: bonds (distance) C4'-P energy: -103.628 bonds (distance) P-C4' energy: -127.460 flat angles C4'-P-C4' energy: -132.060 flat angles P-C4'-P energy: -83.142 tors. eta vs tors. theta energy: -176.254 Dist. restrs. and SS energy: 0.000 (S_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: 316 Temperature: 0.900000 Total energy: -2693.916191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.916191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.916191 (E_RNA) where: Base-Base interactions energy: -1915.219 where: short stacking energy: -744.825 Base-Backbone interact. energy: -2.177 local terms energy: -776.520385 where: bonds (distance) C4'-P energy: -121.935 bonds (distance) P-C4' energy: -157.658 flat angles C4'-P-C4' energy: -156.131 flat angles P-C4'-P energy: -118.856 tors. eta vs tors. theta energy: -221.940 Dist. restrs. and SS energy: 0.000 (S_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: 316 Temperature: 0.950000 Total energy: -2675.684190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.684190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.684190 (E_RNA) where: Base-Base interactions energy: -1923.783 where: short stacking energy: -767.597 Base-Backbone interact. energy: -1.239 local terms energy: -750.662793 where: bonds (distance) C4'-P energy: -117.049 bonds (distance) P-C4' energy: -134.711 flat angles C4'-P-C4' energy: -161.615 flat angles P-C4'-P energy: -110.275 tors. eta vs tors. theta energy: -227.013 Dist. restrs. and SS energy: 0.000 (S_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: 316 Temperature: 1.000000 Total energy: -2648.683422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.683422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.683422 (E_RNA) where: Base-Base interactions energy: -1878.258 where: short stacking energy: -751.523 Base-Backbone interact. energy: -2.648 local terms energy: -767.776868 where: bonds (distance) C4'-P energy: -114.556 bonds (distance) P-C4' energy: -154.425 flat angles C4'-P-C4' energy: -158.811 flat angles P-C4'-P energy: -110.744 tors. eta vs tors. theta energy: -229.241 Dist. restrs. and SS energy: 0.000 (S_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: -2559.627847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.627847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.627847 (E_RNA) where: Base-Base interactions energy: -1823.394 where: short stacking energy: -740.797 Base-Backbone interact. energy: -3.409 local terms energy: -732.825527 where: bonds (distance) C4'-P energy: -106.449 bonds (distance) P-C4' energy: -144.637 flat angles C4'-P-C4' energy: -152.888 flat angles P-C4'-P energy: -104.032 tors. eta vs tors. theta energy: -224.820 Dist. restrs. and SS energy: 0.000 (S_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: 316 Temperature: 1.100000 Total energy: -2495.310272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.310272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.310272 (E_RNA) where: Base-Base interactions energy: -1773.149 where: short stacking energy: -717.177 Base-Backbone interact. energy: -3.935 local terms energy: -718.226270 where: bonds (distance) C4'-P energy: -108.042 bonds (distance) P-C4' energy: -136.582 flat angles C4'-P-C4' energy: -154.446 flat angles P-C4'-P energy: -105.936 tors. eta vs tors. theta energy: -213.220 Dist. restrs. and SS energy: 0.000 (S_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: 316 Temperature: 1.150000 Total energy: -2433.720589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.720589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.720589 (E_RNA) where: Base-Base interactions energy: -1713.252 where: short stacking energy: -690.825 Base-Backbone interact. energy: 1.249 local terms energy: -721.717673 where: bonds (distance) C4'-P energy: -110.056 bonds (distance) P-C4' energy: -145.993 flat angles C4'-P-C4' energy: -149.307 flat angles P-C4'-P energy: -110.284 tors. eta vs tors. theta energy: -206.077 Dist. restrs. and SS energy: 0.000 (S_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: 316 Temperature: 1.200000 Total energy: -2414.975133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.975133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.975133 (E_RNA) where: Base-Base interactions energy: -1720.145 where: short stacking energy: -705.112 Base-Backbone interact. energy: -1.054 local terms energy: -693.776060 where: bonds (distance) C4'-P energy: -90.563 bonds (distance) P-C4' energy: -133.081 flat angles C4'-P-C4' energy: -155.702 flat angles P-C4'-P energy: -107.073 tors. eta vs tors. theta energy: -207.356 Dist. restrs. and SS energy: 0.000 (S_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: 316 Temperature: 1.250000 Total energy: -2286.270523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.270523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.270523 (E_RNA) where: Base-Base interactions energy: -1610.839 where: short stacking energy: -643.333 Base-Backbone interact. energy: -0.230 local terms energy: -675.201810 where: bonds (distance) C4'-P energy: -108.999 bonds (distance) P-C4' energy: -131.799 flat angles C4'-P-C4' energy: -146.332 flat angles P-C4'-P energy: -101.509 tors. eta vs tors. theta energy: -186.564 Dist. restrs. and SS energy: 0.000 (S_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: 316 Temperature: 1.300000 Total energy: -2200.431712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.431712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.431712 (E_RNA) where: Base-Base interactions energy: -1539.830 where: short stacking energy: -615.017 Base-Backbone interact. energy: -0.981 local terms energy: -659.621056 where: bonds (distance) C4'-P energy: -108.034 bonds (distance) P-C4' energy: -141.720 flat angles C4'-P-C4' energy: -144.470 flat angles P-C4'-P energy: -94.187 tors. eta vs tors. theta energy: -171.210 Dist. restrs. and SS energy: 0.000 (S_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: 316 Temperature: 1.350000 Total energy: -2100.249132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.249132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.249132 (E_RNA) where: Base-Base interactions energy: -1461.179 where: short stacking energy: -605.094 Base-Backbone interact. energy: -2.404 local terms energy: -636.666208 where: bonds (distance) C4'-P energy: -101.307 bonds (distance) P-C4' energy: -135.314 flat angles C4'-P-C4' energy: -139.506 flat angles P-C4'-P energy: -91.575 tors. eta vs tors. theta energy: -168.963 Dist. restrs. and SS energy: 0.000 (S_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: 317 Temperature: 0.900000 Total energy: -2685.243441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.243441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.243441 (E_RNA) where: Base-Base interactions energy: -1912.590 where: short stacking energy: -761.474 Base-Backbone interact. energy: -2.255 local terms energy: -770.398475 where: bonds (distance) C4'-P energy: -116.407 bonds (distance) P-C4' energy: -162.575 flat angles C4'-P-C4' energy: -161.243 flat angles P-C4'-P energy: -107.348 tors. eta vs tors. theta energy: -222.826 Dist. restrs. and SS energy: 0.000 (S_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: 317 Temperature: 0.950000 Total energy: -2678.794408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.794408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.794408 (E_RNA) where: Base-Base interactions energy: -1902.730 where: short stacking energy: -763.170 Base-Backbone interact. energy: -2.406 local terms energy: -773.658512 where: bonds (distance) C4'-P energy: -119.171 bonds (distance) P-C4' energy: -158.654 flat angles C4'-P-C4' energy: -154.056 flat angles P-C4'-P energy: -117.712 tors. eta vs tors. theta energy: -224.066 Dist. restrs. and SS energy: 0.000 (S_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: 317 Temperature: 1.000000 Total energy: -2630.798201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.798201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.798201 (E_RNA) where: Base-Base interactions energy: -1873.633 where: short stacking energy: -747.442 Base-Backbone interact. energy: -1.091 local terms energy: -756.073688 where: bonds (distance) C4'-P energy: -117.099 bonds (distance) P-C4' energy: -141.010 flat angles C4'-P-C4' energy: -161.723 flat angles P-C4'-P energy: -110.301 tors. eta vs tors. theta energy: -225.941 Dist. restrs. and SS energy: 0.000 (S_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: 317 Temperature: 1.050000 Total energy: -2551.545641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.545641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.545641 (E_RNA) where: Base-Base interactions energy: -1816.543 where: short stacking energy: -734.953 Base-Backbone interact. energy: -2.062 local terms energy: -732.940931 where: bonds (distance) C4'-P energy: -121.397 bonds (distance) P-C4' energy: -126.996 flat angles C4'-P-C4' energy: -147.002 flat angles P-C4'-P energy: -113.207 tors. eta vs tors. theta energy: -224.339 Dist. restrs. and SS energy: 0.000 (S_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: 317 Temperature: 1.100000 Total energy: -2508.021988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.021988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.021988 (E_RNA) where: Base-Base interactions energy: -1769.406 where: short stacking energy: -720.306 Base-Backbone interact. energy: -1.137 local terms energy: -737.478438 where: bonds (distance) C4'-P energy: -114.507 bonds (distance) P-C4' energy: -149.857 flat angles C4'-P-C4' energy: -148.740 flat angles P-C4'-P energy: -107.305 tors. eta vs tors. theta energy: -217.069 Dist. restrs. and SS energy: 0.000 (S_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: 317 Temperature: 1.150000 Total energy: -2454.281803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.281803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.281803 (E_RNA) where: Base-Base interactions energy: -1735.606 where: short stacking energy: -695.213 Base-Backbone interact. energy: -2.786 local terms energy: -715.889163 where: bonds (distance) C4'-P energy: -101.193 bonds (distance) P-C4' energy: -148.583 flat angles C4'-P-C4' energy: -153.560 flat angles P-C4'-P energy: -98.687 tors. eta vs tors. theta energy: -213.866 Dist. restrs. and SS energy: 0.000 (S_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: 317 Temperature: 1.200000 Total energy: -2408.936425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.936425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.936425 (E_RNA) where: Base-Base interactions energy: -1702.872 where: short stacking energy: -680.629 Base-Backbone interact. energy: 5.555 local terms energy: -711.619470 where: bonds (distance) C4'-P energy: -114.293 bonds (distance) P-C4' energy: -136.563 flat angles C4'-P-C4' energy: -153.575 flat angles P-C4'-P energy: -100.741 tors. eta vs tors. theta energy: -206.447 Dist. restrs. and SS energy: 0.000 (S_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: -2294.145801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.145801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.145801 (E_RNA) where: Base-Base interactions energy: -1609.680 where: short stacking energy: -654.038 Base-Backbone interact. energy: -0.264 local terms energy: -684.201523 where: bonds (distance) C4'-P energy: -114.733 bonds (distance) P-C4' energy: -150.570 flat angles C4'-P-C4' energy: -140.006 flat angles P-C4'-P energy: -93.855 tors. eta vs tors. theta energy: -185.038 Dist. restrs. and SS energy: 0.000 (S_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: 317 Temperature: 1.300000 Total energy: -2206.645375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.645375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.645375 (E_RNA) where: Base-Base interactions energy: -1559.405 where: short stacking energy: -632.350 Base-Backbone interact. energy: -1.856 local terms energy: -645.383815 where: bonds (distance) C4'-P energy: -103.178 bonds (distance) P-C4' energy: -135.280 flat angles C4'-P-C4' energy: -142.714 flat angles P-C4'-P energy: -82.944 tors. eta vs tors. theta energy: -181.269 Dist. restrs. and SS energy: 0.000 (S_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: 317 Temperature: 1.350000 Total energy: -2098.374176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.374176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.374176 (E_RNA) where: Base-Base interactions energy: -1451.781 where: short stacking energy: -598.768 Base-Backbone interact. energy: -1.506 local terms energy: -645.087318 where: bonds (distance) C4'-P energy: -112.896 bonds (distance) P-C4' energy: -135.019 flat angles C4'-P-C4' energy: -139.185 flat angles P-C4'-P energy: -84.051 tors. eta vs tors. theta energy: -173.936 Dist. restrs. and SS energy: 0.000 (S_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: 318 Temperature: 0.900000 Total energy: -2698.415440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.415440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.415440 (E_RNA) where: Base-Base interactions energy: -1939.456 where: short stacking energy: -760.373 Base-Backbone interact. energy: -0.669 local terms energy: -758.289985 where: bonds (distance) C4'-P energy: -115.725 bonds (distance) P-C4' energy: -154.929 flat angles C4'-P-C4' energy: -157.661 flat angles P-C4'-P energy: -104.982 tors. eta vs tors. theta energy: -224.994 Dist. restrs. and SS energy: 0.000 (S_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: 318 Temperature: 0.950000 Total energy: -2680.773844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.773844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.773844 (E_RNA) where: Base-Base interactions energy: -1905.918 where: short stacking energy: -752.113 Base-Backbone interact. energy: -4.359 local terms energy: -770.496423 where: bonds (distance) C4'-P energy: -128.061 bonds (distance) P-C4' energy: -150.637 flat angles C4'-P-C4' energy: -154.855 flat angles P-C4'-P energy: -110.348 tors. eta vs tors. theta energy: -226.595 Dist. restrs. and SS energy: 0.000 (S_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: 318 Temperature: 1.000000 Total energy: -2624.278516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.278516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.278516 (E_RNA) where: Base-Base interactions energy: -1870.299 where: short stacking energy: -764.114 Base-Backbone interact. energy: -2.034 local terms energy: -751.944887 where: bonds (distance) C4'-P energy: -113.605 bonds (distance) P-C4' energy: -144.620 flat angles C4'-P-C4' energy: -156.721 flat angles P-C4'-P energy: -106.403 tors. eta vs tors. theta energy: -230.597 Dist. restrs. and SS energy: 0.000 (S_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: 318 Temperature: 1.050000 Total energy: -2566.326180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.326180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.326180 (E_RNA) where: Base-Base interactions energy: -1810.091 where: short stacking energy: -730.657 Base-Backbone interact. energy: -1.180 local terms energy: -755.055596 where: bonds (distance) C4'-P energy: -127.471 bonds (distance) P-C4' energy: -147.823 flat angles C4'-P-C4' energy: -146.764 flat angles P-C4'-P energy: -106.352 tors. eta vs tors. theta energy: -226.646 Dist. restrs. and SS energy: 0.000 (S_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: 318 Temperature: 1.100000 Total energy: -2532.758939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.758939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.758939 (E_RNA) where: Base-Base interactions energy: -1789.588 where: short stacking energy: -722.048 Base-Backbone interact. energy: -0.185 local terms energy: -742.985206 where: bonds (distance) C4'-P energy: -121.868 bonds (distance) P-C4' energy: -148.700 flat angles C4'-P-C4' energy: -154.594 flat angles P-C4'-P energy: -101.924 tors. eta vs tors. theta energy: -215.899 Dist. restrs. and SS energy: 0.000 (S_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: 318 Temperature: 1.150000 Total energy: -2502.219441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.219441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.219441 (E_RNA) where: Base-Base interactions energy: -1765.832 where: short stacking energy: -732.280 Base-Backbone interact. energy: -0.780 local terms energy: -735.607189 where: bonds (distance) C4'-P energy: -107.799 bonds (distance) P-C4' energy: -150.569 flat angles C4'-P-C4' energy: -154.303 flat angles P-C4'-P energy: -100.665 tors. eta vs tors. theta energy: -222.271 Dist. restrs. and SS energy: 0.000 (S_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: 318 Temperature: 1.200000 Total energy: -2386.727594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.727594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.727594 (E_RNA) where: Base-Base interactions energy: -1694.007 where: short stacking energy: -686.907 Base-Backbone interact. energy: -0.004 local terms energy: -692.716594 where: bonds (distance) C4'-P energy: -93.500 bonds (distance) P-C4' energy: -141.175 flat angles C4'-P-C4' energy: -151.477 flat angles P-C4'-P energy: -101.997 tors. eta vs tors. theta energy: -204.567 Dist. restrs. and SS energy: 0.000 (S_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: 318 Temperature: 1.250000 Total energy: -2328.840250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.840250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.840250 (E_RNA) where: Base-Base interactions energy: -1654.436 where: short stacking energy: -670.579 Base-Backbone interact. energy: 1.531 local terms energy: -675.935236 where: bonds (distance) C4'-P energy: -111.920 bonds (distance) P-C4' energy: -131.899 flat angles C4'-P-C4' energy: -134.557 flat angles P-C4'-P energy: -97.369 tors. eta vs tors. theta energy: -200.190 Dist. restrs. and SS energy: 0.000 (S_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: 318 Temperature: 1.300000 Total energy: -2206.306682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.306682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.306682 (E_RNA) where: Base-Base interactions energy: -1538.122 where: short stacking energy: -629.712 Base-Backbone interact. energy: -2.494 local terms energy: -665.691070 where: bonds (distance) C4'-P energy: -100.807 bonds (distance) P-C4' energy: -135.643 flat angles C4'-P-C4' energy: -140.031 flat angles P-C4'-P energy: -100.980 tors. eta vs tors. theta energy: -188.230 Dist. restrs. and SS energy: 0.000 (S_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: 318 Temperature: 1.350000 Total energy: -2102.195642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.195642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.195642 (E_RNA) where: Base-Base interactions energy: -1461.324 where: short stacking energy: -598.914 Base-Backbone interact. energy: -0.885 local terms energy: -639.986810 where: bonds (distance) C4'-P energy: -105.272 bonds (distance) P-C4' energy: -142.656 flat angles C4'-P-C4' energy: -132.846 flat angles P-C4'-P energy: -95.211 tors. eta vs tors. theta energy: -164.002 Dist. restrs. and SS energy: 0.000 (S_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: 319 Temperature: 0.900000 Total energy: -2686.898270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.898270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.898270 (E_RNA) where: Base-Base interactions energy: -1911.201 where: short stacking energy: -748.037 Base-Backbone interact. energy: 0.085 local terms energy: -775.782405 where: bonds (distance) C4'-P energy: -118.557 bonds (distance) P-C4' energy: -151.707 flat angles C4'-P-C4' energy: -165.890 flat angles P-C4'-P energy: -119.296 tors. eta vs tors. theta energy: -220.333 Dist. restrs. and SS energy: 0.000 (S_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: 319 Temperature: 0.950000 Total energy: -2685.667078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.667078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.667078 (E_RNA) where: Base-Base interactions energy: -1921.363 where: short stacking energy: -766.796 Base-Backbone interact. energy: -2.456 local terms energy: -761.848420 where: bonds (distance) C4'-P energy: -115.577 bonds (distance) P-C4' energy: -157.027 flat angles C4'-P-C4' energy: -152.684 flat angles P-C4'-P energy: -107.781 tors. eta vs tors. theta energy: -228.780 Dist. restrs. and SS energy: 0.000 (S_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: 319 Temperature: 1.000000 Total energy: -2601.331944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.331944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.331944 (E_RNA) where: Base-Base interactions energy: -1829.065 where: short stacking energy: -738.412 Base-Backbone interact. energy: -1.018 local terms energy: -771.249772 where: bonds (distance) C4'-P energy: -126.147 bonds (distance) P-C4' energy: -153.056 flat angles C4'-P-C4' energy: -161.275 flat angles P-C4'-P energy: -110.290 tors. eta vs tors. theta energy: -220.481 Dist. restrs. and SS energy: 0.000 (S_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: 319 Temperature: 1.050000 Total energy: -2559.954294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.954294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.954294 (E_RNA) where: Base-Base interactions energy: -1786.042 where: short stacking energy: -729.097 Base-Backbone interact. energy: -2.233 local terms energy: -771.679196 where: bonds (distance) C4'-P energy: -125.490 bonds (distance) P-C4' energy: -148.624 flat angles C4'-P-C4' energy: -155.946 flat angles P-C4'-P energy: -112.012 tors. eta vs tors. theta energy: -229.607 Dist. restrs. and SS energy: 0.000 (S_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: 319 Temperature: 1.100000 Total energy: -2532.143876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.143876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.143876 (E_RNA) where: Base-Base interactions energy: -1809.166 where: short stacking energy: -732.877 Base-Backbone interact. energy: -0.604 local terms energy: -722.374275 where: bonds (distance) C4'-P energy: -102.191 bonds (distance) P-C4' energy: -143.101 flat angles C4'-P-C4' energy: -147.602 flat angles P-C4'-P energy: -104.761 tors. eta vs tors. theta energy: -224.721 Dist. restrs. and SS energy: 0.000 (S_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: 319 Temperature: 1.150000 Total energy: -2482.665737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.665737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.665737 (E_RNA) where: Base-Base interactions energy: -1745.514 where: short stacking energy: -715.365 Base-Backbone interact. energy: -1.176 local terms energy: -735.976190 where: bonds (distance) C4'-P energy: -121.532 bonds (distance) P-C4' energy: -134.453 flat angles C4'-P-C4' energy: -162.463 flat angles P-C4'-P energy: -97.785 tors. eta vs tors. theta energy: -219.742 Dist. restrs. and SS energy: 0.000 (S_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: 319 Temperature: 1.200000 Total energy: -2418.403444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.403444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.403444 (E_RNA) where: Base-Base interactions energy: -1716.214 where: short stacking energy: -692.794 Base-Backbone interact. energy: 0.712 local terms energy: -702.901395 where: bonds (distance) C4'-P energy: -113.031 bonds (distance) P-C4' energy: -138.611 flat angles C4'-P-C4' energy: -146.954 flat angles P-C4'-P energy: -104.438 tors. eta vs tors. theta energy: -199.867 Dist. restrs. and SS energy: 0.000 (S_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: 319 Temperature: 1.250000 Total energy: -2330.360893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.360893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.360893 (E_RNA) where: Base-Base interactions energy: -1652.631 where: short stacking energy: -669.302 Base-Backbone interact. energy: -2.017 local terms energy: -675.712802 where: bonds (distance) C4'-P energy: -96.511 bonds (distance) P-C4' energy: -133.224 flat angles C4'-P-C4' energy: -150.651 flat angles P-C4'-P energy: -99.743 tors. eta vs tors. theta energy: -195.585 Dist. restrs. and SS energy: 0.000 (S_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: 319 Temperature: 1.300000 Total energy: -2160.411821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.411821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.411821 (E_RNA) where: Base-Base interactions energy: -1516.802 where: short stacking energy: -621.271 Base-Backbone interact. energy: 1.575 local terms energy: -645.185007 where: bonds (distance) C4'-P energy: -108.360 bonds (distance) P-C4' energy: -145.011 flat angles C4'-P-C4' energy: -141.895 flat angles P-C4'-P energy: -80.663 tors. eta vs tors. theta energy: -169.257 Dist. restrs. and SS energy: 0.000 (S_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: 319 Temperature: 1.350000 Total energy: -2072.458329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.458329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.458329 (E_RNA) where: Base-Base interactions energy: -1427.810 where: short stacking energy: -569.432 Base-Backbone interact. energy: -1.893 local terms energy: -642.755719 where: bonds (distance) C4'-P energy: -108.904 bonds (distance) P-C4' energy: -143.465 flat angles C4'-P-C4' energy: -144.348 flat angles P-C4'-P energy: -91.699 tors. eta vs tors. theta energy: -154.340 Dist. restrs. and SS energy: 0.000 (S_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: 320 Temperature: 0.900000 Total energy: -2705.084670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.084670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.084670 (E_RNA) where: Base-Base interactions energy: -1938.889 where: short stacking energy: -772.432 Base-Backbone interact. energy: -1.631 local terms energy: -764.564606 where: bonds (distance) C4'-P energy: -115.445 bonds (distance) P-C4' energy: -146.271 flat angles C4'-P-C4' energy: -161.999 flat angles P-C4'-P energy: -113.168 tors. eta vs tors. theta energy: -227.682 Dist. restrs. and SS energy: 0.000 (S_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: 320 Temperature: 0.950000 Total energy: -2654.441079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.441079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.441079 (E_RNA) where: Base-Base interactions energy: -1899.634 where: short stacking energy: -746.977 Base-Backbone interact. energy: -0.214 local terms energy: -754.593250 where: bonds (distance) C4'-P energy: -118.845 bonds (distance) P-C4' energy: -140.850 flat angles C4'-P-C4' energy: -161.215 flat angles P-C4'-P energy: -107.528 tors. eta vs tors. theta energy: -226.155 Dist. restrs. and SS energy: 0.000 (S_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: 320 Temperature: 1.000000 Total energy: -2623.484867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.484867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.484867 (E_RNA) where: Base-Base interactions energy: -1864.804 where: short stacking energy: -732.728 Base-Backbone interact. energy: 0.610 local terms energy: -759.290674 where: bonds (distance) C4'-P energy: -122.103 bonds (distance) P-C4' energy: -149.713 flat angles C4'-P-C4' energy: -159.541 flat angles P-C4'-P energy: -104.389 tors. eta vs tors. theta energy: -223.545 Dist. restrs. and SS energy: 0.000 (S_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: 320 Temperature: 1.050000 Total energy: -2543.185953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.185953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.185953 (E_RNA) where: Base-Base interactions energy: -1800.475 where: short stacking energy: -730.978 Base-Backbone interact. energy: -1.825 local terms energy: -740.885728 where: bonds (distance) C4'-P energy: -124.088 bonds (distance) P-C4' energy: -139.899 flat angles C4'-P-C4' energy: -158.187 flat angles P-C4'-P energy: -95.382 tors. eta vs tors. theta energy: -223.330 Dist. restrs. and SS energy: 0.000 (S_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: 320 Temperature: 1.100000 Total energy: -2530.787011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.787011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.787011 (E_RNA) where: Base-Base interactions energy: -1790.640 where: short stacking energy: -720.180 Base-Backbone interact. energy: -3.850 local terms energy: -736.297291 where: bonds (distance) C4'-P energy: -104.257 bonds (distance) P-C4' energy: -144.225 flat angles C4'-P-C4' energy: -162.903 flat angles P-C4'-P energy: -111.739 tors. eta vs tors. theta energy: -213.174 Dist. restrs. and SS energy: 0.000 (S_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: 320 Temperature: 1.150000 Total energy: -2442.178903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.178903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.178903 (E_RNA) where: Base-Base interactions energy: -1722.284 where: short stacking energy: -699.270 Base-Backbone interact. energy: -2.390 local terms energy: -717.505299 where: bonds (distance) C4'-P energy: -109.029 bonds (distance) P-C4' energy: -154.053 flat angles C4'-P-C4' energy: -152.346 flat angles P-C4'-P energy: -96.874 tors. eta vs tors. theta energy: -205.203 Dist. restrs. and SS energy: 0.000 (S_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: 320 Temperature: 1.200000 Total energy: -2389.809248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.809248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.809248 (E_RNA) where: Base-Base interactions energy: -1705.253 where: short stacking energy: -705.747 Base-Backbone interact. energy: -0.762 local terms energy: -683.795116 where: bonds (distance) C4'-P energy: -100.159 bonds (distance) P-C4' energy: -126.743 flat angles C4'-P-C4' energy: -145.491 flat angles P-C4'-P energy: -105.339 tors. eta vs tors. theta energy: -206.064 Dist. restrs. and SS energy: 0.000 (S_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: 320 Temperature: 1.250000 Total energy: -2324.889106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.889106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.889106 (E_RNA) where: Base-Base interactions energy: -1645.067 where: short stacking energy: -684.351 Base-Backbone interact. energy: -3.231 local terms energy: -676.591090 where: bonds (distance) C4'-P energy: -108.787 bonds (distance) P-C4' energy: -134.002 flat angles C4'-P-C4' energy: -142.267 flat angles P-C4'-P energy: -95.711 tors. eta vs tors. theta energy: -195.824 Dist. restrs. and SS energy: 0.000 (S_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: 320 Temperature: 1.300000 Total energy: -2203.206397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.206397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.206397 (E_RNA) where: Base-Base interactions energy: -1545.665 where: short stacking energy: -614.931 Base-Backbone interact. energy: -2.283 local terms energy: -655.257567 where: bonds (distance) C4'-P energy: -101.324 bonds (distance) P-C4' energy: -146.877 flat angles C4'-P-C4' energy: -135.687 flat angles P-C4'-P energy: -96.291 tors. eta vs tors. theta energy: -175.078 Dist. restrs. and SS energy: 0.000 (S_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: -2100.337421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.337421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.337421 (E_RNA) where: Base-Base interactions energy: -1474.786 where: short stacking energy: -600.993 Base-Backbone interact. energy: 0.846 local terms energy: -626.397226 where: bonds (distance) C4'-P energy: -90.819 bonds (distance) P-C4' energy: -140.399 flat angles C4'-P-C4' energy: -150.319 flat angles P-C4'-P energy: -73.181 tors. eta vs tors. theta energy: -171.679 Dist. restrs. and SS energy: 0.000 (S_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: 321 Temperature: 0.900000 Total energy: -2698.257473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.257473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.257473 (E_RNA) where: Base-Base interactions energy: -1920.159 where: short stacking energy: -761.065 Base-Backbone interact. energy: -3.922 local terms energy: -774.176371 where: bonds (distance) C4'-P energy: -125.971 bonds (distance) P-C4' energy: -149.026 flat angles C4'-P-C4' energy: -160.433 flat angles P-C4'-P energy: -113.023 tors. eta vs tors. theta energy: -225.723 Dist. restrs. and SS energy: 0.000 (S_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: 321 Temperature: 0.950000 Total energy: -2666.511861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.511861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.511861 (E_RNA) where: Base-Base interactions energy: -1897.657 where: short stacking energy: -766.366 Base-Backbone interact. energy: -2.610 local terms energy: -766.244570 where: bonds (distance) C4'-P energy: -114.981 bonds (distance) P-C4' energy: -150.844 flat angles C4'-P-C4' energy: -160.438 flat angles P-C4'-P energy: -111.840 tors. eta vs tors. theta energy: -228.142 Dist. restrs. and SS energy: 0.000 (S_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: 321 Temperature: 1.000000 Total energy: -2621.154470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.154470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.154470 (E_RNA) where: Base-Base interactions energy: -1870.055 where: short stacking energy: -750.511 Base-Backbone interact. energy: -1.872 local terms energy: -749.227710 where: bonds (distance) C4'-P energy: -107.954 bonds (distance) P-C4' energy: -157.387 flat angles C4'-P-C4' energy: -155.811 flat angles P-C4'-P energy: -107.336 tors. eta vs tors. theta energy: -220.741 Dist. restrs. and SS energy: 0.000 (S_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: 321 Temperature: 1.050000 Total energy: -2550.622833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.622833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.622833 (E_RNA) where: Base-Base interactions energy: -1796.297 where: short stacking energy: -717.135 Base-Backbone interact. energy: -1.561 local terms energy: -752.764595 where: bonds (distance) C4'-P energy: -117.829 bonds (distance) P-C4' energy: -145.637 flat angles C4'-P-C4' energy: -155.979 flat angles P-C4'-P energy: -111.459 tors. eta vs tors. theta energy: -221.860 Dist. restrs. and SS energy: 0.000 (S_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: 321 Temperature: 1.100000 Total energy: -2544.822042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.822042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.822042 (E_RNA) where: Base-Base interactions energy: -1797.842 where: short stacking energy: -743.440 Base-Backbone interact. energy: -1.999 local terms energy: -744.981345 where: bonds (distance) C4'-P energy: -115.409 bonds (distance) P-C4' energy: -146.039 flat angles C4'-P-C4' energy: -158.169 flat angles P-C4'-P energy: -108.675 tors. eta vs tors. theta energy: -216.690 Dist. restrs. and SS energy: 0.000 (S_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: 321 Temperature: 1.150000 Total energy: -2485.438427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.438427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.438427 (E_RNA) where: Base-Base interactions energy: -1763.388 where: short stacking energy: -716.617 Base-Backbone interact. energy: 1.107 local terms energy: -723.157202 where: bonds (distance) C4'-P energy: -109.214 bonds (distance) P-C4' energy: -138.855 flat angles C4'-P-C4' energy: -156.957 flat angles P-C4'-P energy: -103.894 tors. eta vs tors. theta energy: -214.237 Dist. restrs. and SS energy: 0.000 (S_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: -2384.281358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.281358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.281358 (E_RNA) where: Base-Base interactions energy: -1667.552 where: short stacking energy: -671.417 Base-Backbone interact. energy: 0.038 local terms energy: -716.768095 where: bonds (distance) C4'-P energy: -106.801 bonds (distance) P-C4' energy: -139.453 flat angles C4'-P-C4' energy: -154.582 flat angles P-C4'-P energy: -115.785 tors. eta vs tors. theta energy: -200.146 Dist. restrs. and SS energy: 0.000 (S_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: 321 Temperature: 1.250000 Total energy: -2293.918030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.918030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.918030 (E_RNA) where: Base-Base interactions energy: -1618.444 where: short stacking energy: -668.350 Base-Backbone interact. energy: -2.941 local terms energy: -672.533133 where: bonds (distance) C4'-P energy: -111.831 bonds (distance) P-C4' energy: -132.982 flat angles C4'-P-C4' energy: -143.907 flat angles P-C4'-P energy: -95.201 tors. eta vs tors. theta energy: -188.612 Dist. restrs. and SS energy: 0.000 (S_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: 321 Temperature: 1.300000 Total energy: -2237.203745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.203745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.203745 (E_RNA) where: Base-Base interactions energy: -1585.079 where: short stacking energy: -646.468 Base-Backbone interact. energy: -1.354 local terms energy: -650.770753 where: bonds (distance) C4'-P energy: -86.296 bonds (distance) P-C4' energy: -126.791 flat angles C4'-P-C4' energy: -143.868 flat angles P-C4'-P energy: -99.555 tors. eta vs tors. theta energy: -194.261 Dist. restrs. and SS energy: 0.000 (S_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: -2053.013312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.013312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.013312 (E_RNA) where: Base-Base interactions energy: -1405.196 where: short stacking energy: -568.392 Base-Backbone interact. energy: -2.628 local terms energy: -645.188980 where: bonds (distance) C4'-P energy: -107.505 bonds (distance) P-C4' energy: -136.808 flat angles C4'-P-C4' energy: -146.085 flat angles P-C4'-P energy: -97.912 tors. eta vs tors. theta energy: -156.879 Dist. restrs. and SS energy: 0.000 (S_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: -2708.450374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.450374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.450374 (E_RNA) where: Base-Base interactions energy: -1938.837 where: short stacking energy: -765.523 Base-Backbone interact. energy: -0.520 local terms energy: -769.092727 where: bonds (distance) C4'-P energy: -122.520 bonds (distance) P-C4' energy: -157.781 flat angles C4'-P-C4' energy: -160.210 flat angles P-C4'-P energy: -108.384 tors. eta vs tors. theta energy: -220.198 Dist. restrs. and SS energy: 0.000 (S_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: 322 Temperature: 0.950000 Total energy: -2660.210586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.210586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.210586 (E_RNA) where: Base-Base interactions energy: -1882.804 where: short stacking energy: -743.517 Base-Backbone interact. energy: -4.066 local terms energy: -773.340225 where: bonds (distance) C4'-P energy: -128.601 bonds (distance) P-C4' energy: -159.520 flat angles C4'-P-C4' energy: -151.811 flat angles P-C4'-P energy: -110.300 tors. eta vs tors. theta energy: -223.108 Dist. restrs. and SS energy: 0.000 (S_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: 322 Temperature: 1.000000 Total energy: -2640.047183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.047183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.047183 (E_RNA) where: Base-Base interactions energy: -1882.286 where: short stacking energy: -735.741 Base-Backbone interact. energy: -1.946 local terms energy: -755.815364 where: bonds (distance) C4'-P energy: -109.923 bonds (distance) P-C4' energy: -152.429 flat angles C4'-P-C4' energy: -155.176 flat angles P-C4'-P energy: -113.725 tors. eta vs tors. theta energy: -224.563 Dist. restrs. and SS energy: 0.000 (S_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: -2542.678989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.678989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.678989 (E_RNA) where: Base-Base interactions energy: -1809.358 where: short stacking energy: -749.655 Base-Backbone interact. energy: -1.927 local terms energy: -731.394059 where: bonds (distance) C4'-P energy: -111.201 bonds (distance) P-C4' energy: -145.001 flat angles C4'-P-C4' energy: -154.360 flat angles P-C4'-P energy: -103.039 tors. eta vs tors. theta energy: -217.794 Dist. restrs. and SS energy: 0.000 (S_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: 322 Temperature: 1.100000 Total energy: -2494.521391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.521391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.521391 (E_RNA) where: Base-Base interactions energy: -1763.371 where: short stacking energy: -711.095 Base-Backbone interact. energy: -2.486 local terms energy: -728.664225 where: bonds (distance) C4'-P energy: -116.622 bonds (distance) P-C4' energy: -152.817 flat angles C4'-P-C4' energy: -146.600 flat angles P-C4'-P energy: -99.194 tors. eta vs tors. theta energy: -213.431 Dist. restrs. and SS energy: 0.000 (S_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: 322 Temperature: 1.150000 Total energy: -2482.861287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.861287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.861287 (E_RNA) where: Base-Base interactions energy: -1778.478 where: short stacking energy: -706.229 Base-Backbone interact. energy: -2.678 local terms energy: -701.704691 where: bonds (distance) C4'-P energy: -102.420 bonds (distance) P-C4' energy: -131.593 flat angles C4'-P-C4' energy: -149.219 flat angles P-C4'-P energy: -100.020 tors. eta vs tors. theta energy: -218.453 Dist. restrs. and SS energy: 0.000 (S_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: 322 Temperature: 1.200000 Total energy: -2370.805651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.805651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.805651 (E_RNA) where: Base-Base interactions energy: -1666.931 where: short stacking energy: -666.498 Base-Backbone interact. energy: -1.938 local terms energy: -701.936245 where: bonds (distance) C4'-P energy: -105.584 bonds (distance) P-C4' energy: -148.425 flat angles C4'-P-C4' energy: -160.344 flat angles P-C4'-P energy: -96.093 tors. eta vs tors. theta energy: -191.490 Dist. restrs. and SS energy: 0.000 (S_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: 322 Temperature: 1.250000 Total energy: -2299.403703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.403703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.403703 (E_RNA) where: Base-Base interactions energy: -1625.453 where: short stacking energy: -675.255 Base-Backbone interact. energy: -1.173 local terms energy: -672.778426 where: bonds (distance) C4'-P energy: -110.602 bonds (distance) P-C4' energy: -130.560 flat angles C4'-P-C4' energy: -142.899 flat angles P-C4'-P energy: -97.242 tors. eta vs tors. theta energy: -191.476 Dist. restrs. and SS energy: 0.000 (S_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: 322 Temperature: 1.300000 Total energy: -2197.080867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.080867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.080867 (E_RNA) where: Base-Base interactions energy: -1551.642 where: short stacking energy: -633.449 Base-Backbone interact. energy: -1.989 local terms energy: -643.450137 where: bonds (distance) C4'-P energy: -111.899 bonds (distance) P-C4' energy: -117.085 flat angles C4'-P-C4' energy: -146.321 flat angles P-C4'-P energy: -82.743 tors. eta vs tors. theta energy: -185.402 Dist. restrs. and SS energy: 0.000 (S_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: 322 Temperature: 1.350000 Total energy: -2006.329597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.329597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.329597 (E_RNA) where: Base-Base interactions energy: -1380.274 where: short stacking energy: -563.305 Base-Backbone interact. energy: -0.124 local terms energy: -625.932221 where: bonds (distance) C4'-P energy: -111.452 bonds (distance) P-C4' energy: -124.147 flat angles C4'-P-C4' energy: -140.444 flat angles P-C4'-P energy: -96.874 tors. eta vs tors. theta energy: -153.015 Dist. restrs. and SS energy: 0.000 (S_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: -2672.672847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.672847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.672847 (E_RNA) where: Base-Base interactions energy: -1894.888 where: short stacking energy: -752.171 Base-Backbone interact. energy: -1.974 local terms energy: -775.810690 where: bonds (distance) C4'-P energy: -120.676 bonds (distance) P-C4' energy: -151.016 flat angles C4'-P-C4' energy: -161.112 flat angles P-C4'-P energy: -112.191 tors. eta vs tors. theta energy: -230.815 Dist. restrs. and SS energy: 0.000 (S_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: 323 Temperature: 0.950000 Total energy: -2669.814365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.814365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.814365 (E_RNA) where: Base-Base interactions energy: -1906.173 where: short stacking energy: -764.674 Base-Backbone interact. energy: -2.068 local terms energy: -761.572889 where: bonds (distance) C4'-P energy: -114.544 bonds (distance) P-C4' energy: -156.321 flat angles C4'-P-C4' energy: -154.783 flat angles P-C4'-P energy: -112.924 tors. eta vs tors. theta energy: -223.000 Dist. restrs. and SS energy: 0.000 (S_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: 323 Temperature: 1.000000 Total energy: -2637.087554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.087554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.087554 (E_RNA) where: Base-Base interactions energy: -1888.845 where: short stacking energy: -734.606 Base-Backbone interact. energy: -2.590 local terms energy: -745.652959 where: bonds (distance) C4'-P energy: -120.795 bonds (distance) P-C4' energy: -139.891 flat angles C4'-P-C4' energy: -165.591 flat angles P-C4'-P energy: -106.210 tors. eta vs tors. theta energy: -213.166 Dist. restrs. and SS energy: 0.000 (S_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: 323 Temperature: 1.050000 Total energy: -2539.900176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.900176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.900176 (E_RNA) where: Base-Base interactions energy: -1797.049 where: short stacking energy: -719.547 Base-Backbone interact. energy: -0.945 local terms energy: -741.906699 where: bonds (distance) C4'-P energy: -128.303 bonds (distance) P-C4' energy: -143.336 flat angles C4'-P-C4' energy: -154.391 flat angles P-C4'-P energy: -101.321 tors. eta vs tors. theta energy: -214.556 Dist. restrs. and SS energy: 0.000 (S_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: 323 Temperature: 1.100000 Total energy: -2488.183704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.183704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.183704 (E_RNA) where: Base-Base interactions energy: -1760.543 where: short stacking energy: -730.866 Base-Backbone interact. energy: -0.997 local terms energy: -726.643601 where: bonds (distance) C4'-P energy: -112.100 bonds (distance) P-C4' energy: -142.883 flat angles C4'-P-C4' energy: -152.430 flat angles P-C4'-P energy: -109.410 tors. eta vs tors. theta energy: -209.821 Dist. restrs. and SS energy: 0.000 (S_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: 323 Temperature: 1.150000 Total energy: -2483.358314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.358314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.358314 (E_RNA) where: Base-Base interactions energy: -1755.117 where: short stacking energy: -691.951 Base-Backbone interact. energy: -1.060 local terms energy: -727.180704 where: bonds (distance) C4'-P energy: -114.732 bonds (distance) P-C4' energy: -136.412 flat angles C4'-P-C4' energy: -155.081 flat angles P-C4'-P energy: -111.164 tors. eta vs tors. theta energy: -209.791 Dist. restrs. and SS energy: 0.000 (S_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: 323 Temperature: 1.200000 Total energy: -2420.226680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.226680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.226680 (E_RNA) where: Base-Base interactions energy: -1719.896 where: short stacking energy: -694.426 Base-Backbone interact. energy: -1.158 local terms energy: -699.172553 where: bonds (distance) C4'-P energy: -100.783 bonds (distance) P-C4' energy: -144.758 flat angles C4'-P-C4' energy: -149.115 flat angles P-C4'-P energy: -97.454 tors. eta vs tors. theta energy: -207.062 Dist. restrs. and SS energy: 0.000 (S_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: 323 Temperature: 1.250000 Total energy: -2230.721856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.721856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.721856 (E_RNA) where: Base-Base interactions energy: -1574.712 where: short stacking energy: -644.413 Base-Backbone interact. energy: -0.427 local terms energy: -655.582735 where: bonds (distance) C4'-P energy: -99.564 bonds (distance) P-C4' energy: -128.810 flat angles C4'-P-C4' energy: -147.422 flat angles P-C4'-P energy: -91.145 tors. eta vs tors. theta energy: -188.641 Dist. restrs. and SS energy: 0.000 (S_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: 323 Temperature: 1.300000 Total energy: -2242.609726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.609726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.609726 (E_RNA) where: Base-Base interactions energy: -1552.492 where: short stacking energy: -651.655 Base-Backbone interact. energy: -1.774 local terms energy: -688.343940 where: bonds (distance) C4'-P energy: -117.410 bonds (distance) P-C4' energy: -134.733 flat angles C4'-P-C4' energy: -150.903 flat angles P-C4'-P energy: -95.576 tors. eta vs tors. theta energy: -189.722 Dist. restrs. and SS energy: 0.000 (S_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: 323 Temperature: 1.350000 Total energy: -2008.519265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.519265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.519265 (E_RNA) where: Base-Base interactions energy: -1377.376 where: short stacking energy: -569.304 Base-Backbone interact. energy: -1.967 local terms energy: -629.176022 where: bonds (distance) C4'-P energy: -89.885 bonds (distance) P-C4' energy: -145.518 flat angles C4'-P-C4' energy: -148.013 flat angles P-C4'-P energy: -84.172 tors. eta vs tors. theta energy: -161.588 Dist. restrs. and SS energy: 0.000 (S_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: 324 Temperature: 0.900000 Total energy: -2676.490317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.490317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.490317 (E_RNA) where: Base-Base interactions energy: -1900.655 where: short stacking energy: -748.393 Base-Backbone interact. energy: -3.352 local terms energy: -772.483008 where: bonds (distance) C4'-P energy: -114.922 bonds (distance) P-C4' energy: -160.525 flat angles C4'-P-C4' energy: -161.005 flat angles P-C4'-P energy: -113.267 tors. eta vs tors. theta energy: -222.764 Dist. restrs. and SS energy: 0.000 (S_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: 324 Temperature: 0.950000 Total energy: -2675.269084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.269084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.269084 (E_RNA) where: Base-Base interactions energy: -1885.037 where: short stacking energy: -771.478 Base-Backbone interact. energy: -1.733 local terms energy: -788.498771 where: bonds (distance) C4'-P energy: -130.515 bonds (distance) P-C4' energy: -155.698 flat angles C4'-P-C4' energy: -162.588 flat angles P-C4'-P energy: -108.508 tors. eta vs tors. theta energy: -231.191 Dist. restrs. and SS energy: 0.000 (S_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: 324 Temperature: 1.000000 Total energy: -2645.615098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.615098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.615098 (E_RNA) where: Base-Base interactions energy: -1893.547 where: short stacking energy: -732.662 Base-Backbone interact. energy: -2.668 local terms energy: -749.400721 where: bonds (distance) C4'-P energy: -111.197 bonds (distance) P-C4' energy: -150.169 flat angles C4'-P-C4' energy: -162.513 flat angles P-C4'-P energy: -106.566 tors. eta vs tors. theta energy: -218.957 Dist. restrs. and SS energy: 0.000 (S_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: 324 Temperature: 1.050000 Total energy: -2521.303286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.303286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.303286 (E_RNA) where: Base-Base interactions energy: -1781.634 where: short stacking energy: -720.155 Base-Backbone interact. energy: -1.332 local terms energy: -738.337159 where: bonds (distance) C4'-P energy: -116.196 bonds (distance) P-C4' energy: -149.510 flat angles C4'-P-C4' energy: -150.068 flat angles P-C4'-P energy: -113.125 tors. eta vs tors. theta energy: -209.438 Dist. restrs. and SS energy: 0.000 (S_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: 324 Temperature: 1.100000 Total energy: -2523.472058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.472058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.472058 (E_RNA) where: Base-Base interactions energy: -1783.937 where: short stacking energy: -724.329 Base-Backbone interact. energy: -2.003 local terms energy: -737.531845 where: bonds (distance) C4'-P energy: -120.716 bonds (distance) P-C4' energy: -138.276 flat angles C4'-P-C4' energy: -153.410 flat angles P-C4'-P energy: -105.748 tors. eta vs tors. theta energy: -219.381 Dist. restrs. and SS energy: 0.000 (S_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: 324 Temperature: 1.150000 Total energy: -2496.207568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.207568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.207568 (E_RNA) where: Base-Base interactions energy: -1779.687 where: short stacking energy: -730.051 Base-Backbone interact. energy: -1.844 local terms energy: -714.676299 where: bonds (distance) C4'-P energy: -108.796 bonds (distance) P-C4' energy: -152.650 flat angles C4'-P-C4' energy: -145.363 flat angles P-C4'-P energy: -93.394 tors. eta vs tors. theta energy: -214.473 Dist. restrs. and SS energy: 0.000 (S_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: 324 Temperature: 1.200000 Total energy: -2388.278390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.278390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.278390 (E_RNA) where: Base-Base interactions energy: -1665.440 where: short stacking energy: -672.249 Base-Backbone interact. energy: 3.836 local terms energy: -726.674065 where: bonds (distance) C4'-P energy: -124.980 bonds (distance) P-C4' energy: -143.810 flat angles C4'-P-C4' energy: -146.081 flat angles P-C4'-P energy: -110.634 tors. eta vs tors. theta energy: -201.169 Dist. restrs. and SS energy: 0.000 (S_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: -2281.530273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.530273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.530273 (E_RNA) where: Base-Base interactions energy: -1580.945 where: short stacking energy: -647.979 Base-Backbone interact. energy: -1.484 local terms energy: -699.101273 where: bonds (distance) C4'-P energy: -114.458 bonds (distance) P-C4' energy: -140.521 flat angles C4'-P-C4' energy: -149.774 flat angles P-C4'-P energy: -102.639 tors. eta vs tors. theta energy: -191.710 Dist. restrs. and SS energy: 0.000 (S_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: 324 Temperature: 1.300000 Total energy: -2184.199768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.199768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.199768 (E_RNA) where: Base-Base interactions energy: -1521.511 where: short stacking energy: -625.287 Base-Backbone interact. energy: -2.292 local terms energy: -660.397017 where: bonds (distance) C4'-P energy: -98.469 bonds (distance) P-C4' energy: -150.963 flat angles C4'-P-C4' energy: -140.340 flat angles P-C4'-P energy: -97.974 tors. eta vs tors. theta energy: -172.651 Dist. restrs. and SS energy: 0.000 (S_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: 324 Temperature: 1.350000 Total energy: -2018.836868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.836868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.836868 (E_RNA) where: Base-Base interactions energy: -1380.364 where: short stacking energy: -583.423 Base-Backbone interact. energy: -0.348 local terms energy: -638.125072 where: bonds (distance) C4'-P energy: -106.557 bonds (distance) P-C4' energy: -140.522 flat angles C4'-P-C4' energy: -149.631 flat angles P-C4'-P energy: -87.254 tors. eta vs tors. theta energy: -154.161 Dist. restrs. and SS energy: 0.000 (S_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: 325 Temperature: 0.900000 Total energy: -2674.403591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.403591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.403591 (E_RNA) where: Base-Base interactions energy: -1909.439 where: short stacking energy: -749.667 Base-Backbone interact. energy: 1.150 local terms energy: -766.114669 where: bonds (distance) C4'-P energy: -129.070 bonds (distance) P-C4' energy: -162.001 flat angles C4'-P-C4' energy: -147.787 flat angles P-C4'-P energy: -110.950 tors. eta vs tors. theta energy: -216.306 Dist. restrs. and SS energy: 0.000 (S_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: -2662.159228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.159228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.159228 (E_RNA) where: Base-Base interactions energy: -1890.513 where: short stacking energy: -754.294 Base-Backbone interact. energy: -1.491 local terms energy: -770.154494 where: bonds (distance) C4'-P energy: -113.981 bonds (distance) P-C4' energy: -158.011 flat angles C4'-P-C4' energy: -159.464 flat angles P-C4'-P energy: -106.363 tors. eta vs tors. theta energy: -232.336 Dist. restrs. and SS energy: 0.000 (S_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: 325 Temperature: 1.000000 Total energy: -2634.011673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.011673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.011673 (E_RNA) where: Base-Base interactions energy: -1883.041 where: short stacking energy: -754.932 Base-Backbone interact. energy: -1.654 local terms energy: -749.316475 where: bonds (distance) C4'-P energy: -114.347 bonds (distance) P-C4' energy: -140.857 flat angles C4'-P-C4' energy: -156.972 flat angles P-C4'-P energy: -110.692 tors. eta vs tors. theta energy: -226.448 Dist. restrs. and SS energy: 0.000 (S_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: 325 Temperature: 1.050000 Total energy: -2533.781651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.781651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.781651 (E_RNA) where: Base-Base interactions energy: -1793.789 where: short stacking energy: -714.441 Base-Backbone interact. energy: -3.097 local terms energy: -736.895782 where: bonds (distance) C4'-P energy: -115.247 bonds (distance) P-C4' energy: -151.289 flat angles C4'-P-C4' energy: -154.292 flat angles P-C4'-P energy: -101.093 tors. eta vs tors. theta energy: -214.974 Dist. restrs. and SS energy: 0.000 (S_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: 325 Temperature: 1.100000 Total energy: -2483.498023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.498023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.498023 (E_RNA) where: Base-Base interactions energy: -1757.585 where: short stacking energy: -703.234 Base-Backbone interact. energy: -2.985 local terms energy: -722.928657 where: bonds (distance) C4'-P energy: -118.905 bonds (distance) P-C4' energy: -148.456 flat angles C4'-P-C4' energy: -144.729 flat angles P-C4'-P energy: -100.635 tors. eta vs tors. theta energy: -210.203 Dist. restrs. and SS energy: 0.000 (S_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: 325 Temperature: 1.150000 Total energy: -2475.034100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.034100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.034100 (E_RNA) where: Base-Base interactions energy: -1748.264 where: short stacking energy: -711.190 Base-Backbone interact. energy: -1.113 local terms energy: -725.656610 where: bonds (distance) C4'-P energy: -110.914 bonds (distance) P-C4' energy: -137.147 flat angles C4'-P-C4' energy: -153.770 flat angles P-C4'-P energy: -106.630 tors. eta vs tors. theta energy: -217.196 Dist. restrs. and SS energy: 0.000 (S_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: 325 Temperature: 1.200000 Total energy: -2374.898805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.898805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.898805 (E_RNA) where: Base-Base interactions energy: -1692.847 where: short stacking energy: -677.583 Base-Backbone interact. energy: -0.767 local terms energy: -681.284565 where: bonds (distance) C4'-P energy: -97.167 bonds (distance) P-C4' energy: -134.856 flat angles C4'-P-C4' energy: -146.566 flat angles P-C4'-P energy: -101.758 tors. eta vs tors. theta energy: -200.937 Dist. restrs. and SS energy: 0.000 (S_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: 325 Temperature: 1.250000 Total energy: -2251.856477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.856477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.856477 (E_RNA) where: Base-Base interactions energy: -1584.926 where: short stacking energy: -649.999 Base-Backbone interact. energy: -0.918 local terms energy: -666.012135 where: bonds (distance) C4'-P energy: -102.477 bonds (distance) P-C4' energy: -115.091 flat angles C4'-P-C4' energy: -150.227 flat angles P-C4'-P energy: -103.553 tors. eta vs tors. theta energy: -194.665 Dist. restrs. and SS energy: 0.000 (S_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: 325 Temperature: 1.300000 Total energy: -2202.936118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.936118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.936118 (E_RNA) where: Base-Base interactions energy: -1564.968 where: short stacking energy: -640.153 Base-Backbone interact. energy: 1.510 local terms energy: -639.477840 where: bonds (distance) C4'-P energy: -102.062 bonds (distance) P-C4' energy: -121.739 flat angles C4'-P-C4' energy: -145.131 flat angles P-C4'-P energy: -90.191 tors. eta vs tors. theta energy: -180.354 Dist. restrs. and SS energy: 0.000 (S_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: 325 Temperature: 1.350000 Total energy: -2007.752691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.752691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.752691 (E_RNA) where: Base-Base interactions energy: -1363.411 where: short stacking energy: -562.761 Base-Backbone interact. energy: -1.547 local terms energy: -642.794604 where: bonds (distance) C4'-P energy: -106.892 bonds (distance) P-C4' energy: -146.661 flat angles C4'-P-C4' energy: -135.717 flat angles P-C4'-P energy: -94.762 tors. eta vs tors. theta energy: -158.763 Dist. restrs. and SS energy: 0.000 (S_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: 326 Temperature: 0.900000 Total energy: -2687.257255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.257255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.257255 (E_RNA) where: Base-Base interactions energy: -1899.116 where: short stacking energy: -763.877 Base-Backbone interact. energy: -1.646 local terms energy: -786.495764 where: bonds (distance) C4'-P energy: -133.499 bonds (distance) P-C4' energy: -162.216 flat angles C4'-P-C4' energy: -157.995 flat angles P-C4'-P energy: -109.333 tors. eta vs tors. theta energy: -223.453 Dist. restrs. and SS energy: 0.000 (S_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: 326 Temperature: 0.950000 Total energy: -2656.760373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.760373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.760373 (E_RNA) where: Base-Base interactions energy: -1910.310 where: short stacking energy: -757.561 Base-Backbone interact. energy: -1.928 local terms energy: -744.522498 where: bonds (distance) C4'-P energy: -111.279 bonds (distance) P-C4' energy: -148.712 flat angles C4'-P-C4' energy: -161.647 flat angles P-C4'-P energy: -96.705 tors. eta vs tors. theta energy: -226.179 Dist. restrs. and SS energy: 0.000 (S_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: -2608.870900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.870900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.870900 (E_RNA) where: Base-Base interactions energy: -1859.946 where: short stacking energy: -719.312 Base-Backbone interact. energy: 2.271 local terms energy: -751.196072 where: bonds (distance) C4'-P energy: -114.814 bonds (distance) P-C4' energy: -144.225 flat angles C4'-P-C4' energy: -157.347 flat angles P-C4'-P energy: -111.814 tors. eta vs tors. theta energy: -222.997 Dist. restrs. and SS energy: 0.000 (S_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: 326 Temperature: 1.050000 Total energy: -2534.728325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.728325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.728325 (E_RNA) where: Base-Base interactions energy: -1783.583 where: short stacking energy: -722.448 Base-Backbone interact. energy: -1.775 local terms energy: -749.370950 where: bonds (distance) C4'-P energy: -112.504 bonds (distance) P-C4' energy: -157.271 flat angles C4'-P-C4' energy: -152.447 flat angles P-C4'-P energy: -104.676 tors. eta vs tors. theta energy: -222.472 Dist. restrs. and SS energy: 0.000 (S_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: 326 Temperature: 1.100000 Total energy: -2493.767313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.767313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.767313 (E_RNA) where: Base-Base interactions energy: -1766.728 where: short stacking energy: -719.342 Base-Backbone interact. energy: -1.077 local terms energy: -725.961972 where: bonds (distance) C4'-P energy: -117.816 bonds (distance) P-C4' energy: -133.959 flat angles C4'-P-C4' energy: -150.012 flat angles P-C4'-P energy: -106.394 tors. eta vs tors. theta energy: -217.781 Dist. restrs. and SS energy: 0.000 (S_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: 326 Temperature: 1.150000 Total energy: -2440.012605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.012605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.012605 (E_RNA) where: Base-Base interactions energy: -1738.906 where: short stacking energy: -683.734 Base-Backbone interact. energy: -1.408 local terms energy: -699.698726 where: bonds (distance) C4'-P energy: -119.718 bonds (distance) P-C4' energy: -134.750 flat angles C4'-P-C4' energy: -151.614 flat angles P-C4'-P energy: -102.349 tors. eta vs tors. theta energy: -191.267 Dist. restrs. and SS energy: 0.000 (S_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: 326 Temperature: 1.200000 Total energy: -2356.598081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.598081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.598081 (E_RNA) where: Base-Base interactions energy: -1669.191 where: short stacking energy: -689.575 Base-Backbone interact. energy: 3.076 local terms energy: -690.482734 where: bonds (distance) C4'-P energy: -94.151 bonds (distance) P-C4' energy: -137.290 flat angles C4'-P-C4' energy: -154.789 flat angles P-C4'-P energy: -103.963 tors. eta vs tors. theta energy: -200.290 Dist. restrs. and SS energy: 0.000 (S_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: 326 Temperature: 1.250000 Total energy: -2269.939075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.939075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.939075 (E_RNA) where: Base-Base interactions energy: -1574.734 where: short stacking energy: -627.788 Base-Backbone interact. energy: -0.642 local terms energy: -694.562453 where: bonds (distance) C4'-P energy: -114.817 bonds (distance) P-C4' energy: -149.961 flat angles C4'-P-C4' energy: -146.075 flat angles P-C4'-P energy: -96.009 tors. eta vs tors. theta energy: -187.700 Dist. restrs. and SS energy: 0.000 (S_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: 326 Temperature: 1.300000 Total energy: -2184.690774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.690774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.690774 (E_RNA) where: Base-Base interactions energy: -1528.654 where: short stacking energy: -607.126 Base-Backbone interact. energy: -1.491 local terms energy: -654.545637 where: bonds (distance) C4'-P energy: -94.073 bonds (distance) P-C4' energy: -136.303 flat angles C4'-P-C4' energy: -152.539 flat angles P-C4'-P energy: -89.256 tors. eta vs tors. theta energy: -182.375 Dist. restrs. and SS energy: 0.000 (S_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: 326 Temperature: 1.350000 Total energy: -2015.850045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.850045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.850045 (E_RNA) where: Base-Base interactions energy: -1386.400 where: short stacking energy: -567.570 Base-Backbone interact. energy: 0.018 local terms energy: -629.468436 where: bonds (distance) C4'-P energy: -102.842 bonds (distance) P-C4' energy: -138.686 flat angles C4'-P-C4' energy: -145.164 flat angles P-C4'-P energy: -81.347 tors. eta vs tors. theta energy: -161.429 Dist. restrs. and SS energy: 0.000 (S_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: 327 Temperature: 0.900000 Total energy: -2711.973826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.973826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.973826 (E_RNA) where: Base-Base interactions energy: -1925.599 where: short stacking energy: -757.031 Base-Backbone interact. energy: -1.872 local terms energy: -784.502681 where: bonds (distance) C4'-P energy: -126.078 bonds (distance) P-C4' energy: -159.066 flat angles C4'-P-C4' energy: -156.470 flat angles P-C4'-P energy: -117.224 tors. eta vs tors. theta energy: -225.665 Dist. restrs. and SS energy: 0.000 (S_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: -2644.690688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.690688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.690688 (E_RNA) where: Base-Base interactions energy: -1880.640 where: short stacking energy: -733.879 Base-Backbone interact. energy: -3.178 local terms energy: -760.872944 where: bonds (distance) C4'-P energy: -114.371 bonds (distance) P-C4' energy: -153.616 flat angles C4'-P-C4' energy: -161.273 flat angles P-C4'-P energy: -112.221 tors. eta vs tors. theta energy: -219.392 Dist. restrs. and SS energy: 0.000 (S_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: 327 Temperature: 1.000000 Total energy: -2657.538927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.538927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.538927 (E_RNA) where: Base-Base interactions energy: -1899.333 where: short stacking energy: -764.490 Base-Backbone interact. energy: -1.235 local terms energy: -756.970441 where: bonds (distance) C4'-P energy: -122.092 bonds (distance) P-C4' energy: -143.931 flat angles C4'-P-C4' energy: -159.468 flat angles P-C4'-P energy: -104.373 tors. eta vs tors. theta energy: -227.106 Dist. restrs. and SS energy: 0.000 (S_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: 327 Temperature: 1.050000 Total energy: -2567.591391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.591391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.591391 (E_RNA) where: Base-Base interactions energy: -1806.211 where: short stacking energy: -739.055 Base-Backbone interact. energy: -2.330 local terms energy: -759.050336 where: bonds (distance) C4'-P energy: -123.369 bonds (distance) P-C4' energy: -143.863 flat angles C4'-P-C4' energy: -154.755 flat angles P-C4'-P energy: -111.785 tors. eta vs tors. theta energy: -225.279 Dist. restrs. and SS energy: 0.000 (S_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: 327 Temperature: 1.100000 Total energy: -2480.637375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.637375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.637375 (E_RNA) where: Base-Base interactions energy: -1743.859 where: short stacking energy: -727.761 Base-Backbone interact. energy: -0.833 local terms energy: -735.945451 where: bonds (distance) C4'-P energy: -112.237 bonds (distance) P-C4' energy: -143.687 flat angles C4'-P-C4' energy: -156.444 flat angles P-C4'-P energy: -111.152 tors. eta vs tors. theta energy: -212.424 Dist. restrs. and SS energy: 0.000 (S_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: 327 Temperature: 1.150000 Total energy: -2442.828658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.828658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.828658 (E_RNA) where: Base-Base interactions energy: -1744.488 where: short stacking energy: -708.036 Base-Backbone interact. energy: -1.314 local terms energy: -697.027382 where: bonds (distance) C4'-P energy: -111.905 bonds (distance) P-C4' energy: -132.756 flat angles C4'-P-C4' energy: -141.075 flat angles P-C4'-P energy: -102.086 tors. eta vs tors. theta energy: -209.205 Dist. restrs. and SS energy: 0.000 (S_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: 327 Temperature: 1.200000 Total energy: -2377.041325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.041325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.041325 (E_RNA) where: Base-Base interactions energy: -1669.872 where: short stacking energy: -673.348 Base-Backbone interact. energy: -1.622 local terms energy: -705.547815 where: bonds (distance) C4'-P energy: -101.301 bonds (distance) P-C4' energy: -143.272 flat angles C4'-P-C4' energy: -153.192 flat angles P-C4'-P energy: -98.652 tors. eta vs tors. theta energy: -209.131 Dist. restrs. and SS energy: 0.000 (S_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: 327 Temperature: 1.250000 Total energy: -2296.021711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.021711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.021711 (E_RNA) where: Base-Base interactions energy: -1610.405 where: short stacking energy: -662.531 Base-Backbone interact. energy: -0.291 local terms energy: -685.326063 where: bonds (distance) C4'-P energy: -110.434 bonds (distance) P-C4' energy: -134.874 flat angles C4'-P-C4' energy: -147.073 flat angles P-C4'-P energy: -105.232 tors. eta vs tors. theta energy: -187.713 Dist. restrs. and SS energy: 0.000 (S_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: 327 Temperature: 1.300000 Total energy: -2207.748108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.748108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.748108 (E_RNA) where: Base-Base interactions energy: -1537.074 where: short stacking energy: -611.822 Base-Backbone interact. energy: 0.923 local terms energy: -671.597084 where: bonds (distance) C4'-P energy: -106.173 bonds (distance) P-C4' energy: -136.544 flat angles C4'-P-C4' energy: -143.950 flat angles P-C4'-P energy: -105.103 tors. eta vs tors. theta energy: -179.827 Dist. restrs. and SS energy: 0.000 (S_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: 327 Temperature: 1.350000 Total energy: -2013.420246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.420246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.420246 (E_RNA) where: Base-Base interactions energy: -1388.305 where: short stacking energy: -576.892 Base-Backbone interact. energy: -0.794 local terms energy: -624.321732 where: bonds (distance) C4'-P energy: -102.431 bonds (distance) P-C4' energy: -139.814 flat angles C4'-P-C4' energy: -143.851 flat angles P-C4'-P energy: -87.122 tors. eta vs tors. theta energy: -151.104 Dist. restrs. and SS energy: 0.000 (S_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: 328 Temperature: 0.900000 Total energy: -2702.925917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.925917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.925917 (E_RNA) where: Base-Base interactions energy: -1926.867 where: short stacking energy: -752.927 Base-Backbone interact. energy: -1.438 local terms energy: -774.621499 where: bonds (distance) C4'-P energy: -117.399 bonds (distance) P-C4' energy: -157.343 flat angles C4'-P-C4' energy: -156.551 flat angles P-C4'-P energy: -112.665 tors. eta vs tors. theta energy: -230.663 Dist. restrs. and SS energy: 0.000 (S_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: 328 Temperature: 0.950000 Total energy: -2639.551511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.551511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.551511 (E_RNA) where: Base-Base interactions energy: -1877.647 where: short stacking energy: -741.691 Base-Backbone interact. energy: -2.050 local terms energy: -759.854720 where: bonds (distance) C4'-P energy: -122.788 bonds (distance) P-C4' energy: -145.752 flat angles C4'-P-C4' energy: -156.919 flat angles P-C4'-P energy: -105.152 tors. eta vs tors. theta energy: -229.244 Dist. restrs. and SS energy: 0.000 (S_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: 328 Temperature: 1.000000 Total energy: -2638.752473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.752473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.752473 (E_RNA) where: Base-Base interactions energy: -1872.132 where: short stacking energy: -746.081 Base-Backbone interact. energy: -2.026 local terms energy: -764.595048 where: bonds (distance) C4'-P energy: -118.259 bonds (distance) P-C4' energy: -143.779 flat angles C4'-P-C4' energy: -154.786 flat angles P-C4'-P energy: -114.190 tors. eta vs tors. theta energy: -233.582 Dist. restrs. and SS energy: 0.000 (S_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: 328 Temperature: 1.050000 Total energy: -2556.542792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.542792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.542792 (E_RNA) where: Base-Base interactions energy: -1815.280 where: short stacking energy: -730.217 Base-Backbone interact. energy: -1.850 local terms energy: -739.412874 where: bonds (distance) C4'-P energy: -114.606 bonds (distance) P-C4' energy: -152.209 flat angles C4'-P-C4' energy: -149.398 flat angles P-C4'-P energy: -101.573 tors. eta vs tors. theta energy: -221.628 Dist. restrs. and SS energy: 0.000 (S_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: 328 Temperature: 1.100000 Total energy: -2486.147665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.147665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.147665 (E_RNA) where: Base-Base interactions energy: -1765.839 where: short stacking energy: -721.031 Base-Backbone interact. energy: -2.151 local terms energy: -718.157135 where: bonds (distance) C4'-P energy: -115.952 bonds (distance) P-C4' energy: -142.975 flat angles C4'-P-C4' energy: -147.855 flat angles P-C4'-P energy: -100.102 tors. eta vs tors. theta energy: -211.273 Dist. restrs. and SS energy: 0.000 (S_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: 328 Temperature: 1.150000 Total energy: -2478.693464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.693464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.693464 (E_RNA) where: Base-Base interactions energy: -1751.437 where: short stacking energy: -703.888 Base-Backbone interact. energy: -0.291 local terms energy: -726.965888 where: bonds (distance) C4'-P energy: -111.556 bonds (distance) P-C4' energy: -145.386 flat angles C4'-P-C4' energy: -159.810 flat angles P-C4'-P energy: -92.509 tors. eta vs tors. theta energy: -217.704 Dist. restrs. and SS energy: 0.000 (S_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: -2392.937073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.937073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.937073 (E_RNA) where: Base-Base interactions energy: -1684.512 where: short stacking energy: -684.500 Base-Backbone interact. energy: 0.848 local terms energy: -709.273220 where: bonds (distance) C4'-P energy: -113.678 bonds (distance) P-C4' energy: -140.889 flat angles C4'-P-C4' energy: -155.316 flat angles P-C4'-P energy: -98.156 tors. eta vs tors. theta energy: -201.235 Dist. restrs. and SS energy: 0.000 (S_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: 328 Temperature: 1.250000 Total energy: -2252.492683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.492683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.492683 (E_RNA) where: Base-Base interactions energy: -1566.335 where: short stacking energy: -641.235 Base-Backbone interact. energy: -2.215 local terms energy: -683.943017 where: bonds (distance) C4'-P energy: -108.041 bonds (distance) P-C4' energy: -149.347 flat angles C4'-P-C4' energy: -143.565 flat angles P-C4'-P energy: -98.648 tors. eta vs tors. theta energy: -184.342 Dist. restrs. and SS energy: 0.000 (S_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: 328 Temperature: 1.300000 Total energy: -2227.006971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.006971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.006971 (E_RNA) where: Base-Base interactions energy: -1555.026 where: short stacking energy: -644.163 Base-Backbone interact. energy: -0.854 local terms energy: -671.127704 where: bonds (distance) C4'-P energy: -114.044 bonds (distance) P-C4' energy: -141.091 flat angles C4'-P-C4' energy: -138.585 flat angles P-C4'-P energy: -89.973 tors. eta vs tors. theta energy: -187.435 Dist. restrs. and SS energy: 0.000 (S_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: 328 Temperature: 1.350000 Total energy: -2029.277549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.277549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.277549 (E_RNA) where: Base-Base interactions energy: -1380.017 where: short stacking energy: -579.413 Base-Backbone interact. energy: -0.040 local terms energy: -649.221312 where: bonds (distance) C4'-P energy: -96.771 bonds (distance) P-C4' energy: -149.555 flat angles C4'-P-C4' energy: -140.401 flat angles P-C4'-P energy: -100.903 tors. eta vs tors. theta energy: -161.591 Dist. restrs. and SS energy: 0.000 (S_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: 329 Temperature: 0.900000 Total energy: -2688.828496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.828496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.828496 (E_RNA) where: Base-Base interactions energy: -1911.458 where: short stacking energy: -766.049 Base-Backbone interact. energy: -2.900 local terms energy: -774.470387 where: bonds (distance) C4'-P energy: -115.526 bonds (distance) P-C4' energy: -149.227 flat angles C4'-P-C4' energy: -164.512 flat angles P-C4'-P energy: -118.304 tors. eta vs tors. theta energy: -226.900 Dist. restrs. and SS energy: 0.000 (S_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: 329 Temperature: 0.950000 Total energy: -2645.717593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.717593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.717593 (E_RNA) where: Base-Base interactions energy: -1884.484 where: short stacking energy: -748.241 Base-Backbone interact. energy: 0.657 local terms energy: -761.890525 where: bonds (distance) C4'-P energy: -114.849 bonds (distance) P-C4' energy: -145.928 flat angles C4'-P-C4' energy: -162.652 flat angles P-C4'-P energy: -113.251 tors. eta vs tors. theta energy: -225.210 Dist. restrs. and SS energy: 0.000 (S_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: -2666.926580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.926580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.926580 (E_RNA) where: Base-Base interactions energy: -1913.277 where: short stacking energy: -758.618 Base-Backbone interact. energy: -2.372 local terms energy: -751.278075 where: bonds (distance) C4'-P energy: -113.189 bonds (distance) P-C4' energy: -152.443 flat angles C4'-P-C4' energy: -154.635 flat angles P-C4'-P energy: -106.956 tors. eta vs tors. theta energy: -224.054 Dist. restrs. and SS energy: 0.000 (S_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: -2582.515785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.515785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.515785 (E_RNA) where: Base-Base interactions energy: -1823.504 where: short stacking energy: -741.223 Base-Backbone interact. energy: 0.036 local terms energy: -759.047203 where: bonds (distance) C4'-P energy: -120.006 bonds (distance) P-C4' energy: -148.938 flat angles C4'-P-C4' energy: -161.857 flat angles P-C4'-P energy: -101.627 tors. eta vs tors. theta energy: -226.620 Dist. restrs. and SS energy: 0.000 (S_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: 329 Temperature: 1.100000 Total energy: -2479.146709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.146709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.146709 (E_RNA) where: Base-Base interactions energy: -1734.625 where: short stacking energy: -727.251 Base-Backbone interact. energy: -1.107 local terms energy: -743.414719 where: bonds (distance) C4'-P energy: -114.039 bonds (distance) P-C4' energy: -143.985 flat angles C4'-P-C4' energy: -159.853 flat angles P-C4'-P energy: -106.209 tors. eta vs tors. theta energy: -219.328 Dist. restrs. and SS energy: 0.000 (S_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: 329 Temperature: 1.150000 Total energy: -2487.326640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.326640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.326640 (E_RNA) where: Base-Base interactions energy: -1740.365 where: short stacking energy: -716.190 Base-Backbone interact. energy: -2.105 local terms energy: -744.857263 where: bonds (distance) C4'-P energy: -117.347 bonds (distance) P-C4' energy: -140.576 flat angles C4'-P-C4' energy: -155.147 flat angles P-C4'-P energy: -111.548 tors. eta vs tors. theta energy: -220.240 Dist. restrs. and SS energy: 0.000 (S_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: 329 Temperature: 1.200000 Total energy: -2383.184587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.184587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.184587 (E_RNA) where: Base-Base interactions energy: -1708.331 where: short stacking energy: -698.528 Base-Backbone interact. energy: -1.336 local terms energy: -673.517581 where: bonds (distance) C4'-P energy: -102.462 bonds (distance) P-C4' energy: -128.718 flat angles C4'-P-C4' energy: -142.054 flat angles P-C4'-P energy: -96.334 tors. eta vs tors. theta energy: -203.949 Dist. restrs. and SS energy: 0.000 (S_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: 329 Temperature: 1.250000 Total energy: -2215.829486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.829486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.829486 (E_RNA) where: Base-Base interactions energy: -1536.283 where: short stacking energy: -638.260 Base-Backbone interact. energy: -0.728 local terms energy: -678.817986 where: bonds (distance) C4'-P energy: -100.278 bonds (distance) P-C4' energy: -150.720 flat angles C4'-P-C4' energy: -144.207 flat angles P-C4'-P energy: -86.801 tors. eta vs tors. theta energy: -196.812 Dist. restrs. and SS energy: 0.000 (S_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: 329 Temperature: 1.300000 Total energy: -2212.755552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.755552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.755552 (E_RNA) where: Base-Base interactions energy: -1563.990 where: short stacking energy: -624.987 Base-Backbone interact. energy: -1.243 local terms energy: -647.522804 where: bonds (distance) C4'-P energy: -93.340 bonds (distance) P-C4' energy: -135.383 flat angles C4'-P-C4' energy: -144.058 flat angles P-C4'-P energy: -89.500 tors. eta vs tors. theta energy: -185.242 Dist. restrs. and SS energy: 0.000 (S_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: 329 Temperature: 1.350000 Total energy: -2020.132327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.132327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.132327 (E_RNA) where: Base-Base interactions energy: -1382.681 where: short stacking energy: -560.686 Base-Backbone interact. energy: -0.045 local terms energy: -637.406886 where: bonds (distance) C4'-P energy: -108.019 bonds (distance) P-C4' energy: -151.966 flat angles C4'-P-C4' energy: -150.911 flat angles P-C4'-P energy: -72.264 tors. eta vs tors. theta energy: -154.246 Dist. restrs. and SS energy: 0.000 (S_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: 330 Temperature: 0.900000 Total energy: -2706.127181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.127181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.127181 (E_RNA) where: Base-Base interactions energy: -1923.761 where: short stacking energy: -762.756 Base-Backbone interact. energy: -2.478 local terms energy: -779.888285 where: bonds (distance) C4'-P energy: -123.807 bonds (distance) P-C4' energy: -155.623 flat angles C4'-P-C4' energy: -166.329 flat angles P-C4'-P energy: -110.397 tors. eta vs tors. theta energy: -223.732 Dist. restrs. and SS energy: 0.000 (S_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: -2648.600085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.600085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.600085 (E_RNA) where: Base-Base interactions energy: -1888.339 where: short stacking energy: -748.095 Base-Backbone interact. energy: -0.498 local terms energy: -759.763447 where: bonds (distance) C4'-P energy: -110.424 bonds (distance) P-C4' energy: -145.324 flat angles C4'-P-C4' energy: -165.241 flat angles P-C4'-P energy: -113.362 tors. eta vs tors. theta energy: -225.413 Dist. restrs. and SS energy: 0.000 (S_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: 330 Temperature: 1.000000 Total energy: -2644.911716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.911716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.911716 (E_RNA) where: Base-Base interactions energy: -1885.112 where: short stacking energy: -758.981 Base-Backbone interact. energy: -4.145 local terms energy: -755.655459 where: bonds (distance) C4'-P energy: -118.015 bonds (distance) P-C4' energy: -145.875 flat angles C4'-P-C4' energy: -150.479 flat angles P-C4'-P energy: -112.877 tors. eta vs tors. theta energy: -228.409 Dist. restrs. and SS energy: 0.000 (S_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: 330 Temperature: 1.050000 Total energy: -2578.402784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.402784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.402784 (E_RNA) where: Base-Base interactions energy: -1826.724 where: short stacking energy: -720.577 Base-Backbone interact. energy: -3.090 local terms energy: -748.588520 where: bonds (distance) C4'-P energy: -120.480 bonds (distance) P-C4' energy: -155.083 flat angles C4'-P-C4' energy: -155.585 flat angles P-C4'-P energy: -104.890 tors. eta vs tors. theta energy: -212.551 Dist. restrs. and SS energy: 0.000 (S_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: 330 Temperature: 1.100000 Total energy: -2510.521006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.521006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.521006 (E_RNA) where: Base-Base interactions energy: -1763.134 where: short stacking energy: -714.471 Base-Backbone interact. energy: -1.687 local terms energy: -745.700005 where: bonds (distance) C4'-P energy: -107.861 bonds (distance) P-C4' energy: -151.047 flat angles C4'-P-C4' energy: -158.160 flat angles P-C4'-P energy: -106.435 tors. eta vs tors. theta energy: -222.198 Dist. restrs. and SS energy: 0.000 (S_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: 330 Temperature: 1.150000 Total energy: -2429.568470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.568470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.568470 (E_RNA) where: Base-Base interactions energy: -1720.114 where: short stacking energy: -690.570 Base-Backbone interact. energy: -3.392 local terms energy: -706.062612 where: bonds (distance) C4'-P energy: -105.481 bonds (distance) P-C4' energy: -144.752 flat angles C4'-P-C4' energy: -151.268 flat angles P-C4'-P energy: -103.978 tors. eta vs tors. theta energy: -200.585 Dist. restrs. and SS energy: 0.000 (S_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: 330 Temperature: 1.200000 Total energy: -2392.213108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.213108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.213108 (E_RNA) where: Base-Base interactions energy: -1707.899 where: short stacking energy: -680.786 Base-Backbone interact. energy: -1.874 local terms energy: -682.440029 where: bonds (distance) C4'-P energy: -103.642 bonds (distance) P-C4' energy: -132.315 flat angles C4'-P-C4' energy: -151.153 flat angles P-C4'-P energy: -96.154 tors. eta vs tors. theta energy: -199.176 Dist. restrs. and SS energy: 0.000 (S_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: 330 Temperature: 1.250000 Total energy: -2247.677352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.677352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.677352 (E_RNA) where: Base-Base interactions energy: -1555.539 where: short stacking energy: -642.203 Base-Backbone interact. energy: -3.237 local terms energy: -688.901349 where: bonds (distance) C4'-P energy: -98.902 bonds (distance) P-C4' energy: -145.981 flat angles C4'-P-C4' energy: -154.946 flat angles P-C4'-P energy: -100.891 tors. eta vs tors. theta energy: -188.182 Dist. restrs. and SS energy: 0.000 (S_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: 330 Temperature: 1.300000 Total energy: -2272.263205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.263205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.263205 (E_RNA) where: Base-Base interactions energy: -1584.856 where: short stacking energy: -646.105 Base-Backbone interact. energy: -0.816 local terms energy: -686.590871 where: bonds (distance) C4'-P energy: -104.347 bonds (distance) P-C4' energy: -141.432 flat angles C4'-P-C4' energy: -154.268 flat angles P-C4'-P energy: -102.013 tors. eta vs tors. theta energy: -184.531 Dist. restrs. and SS energy: 0.000 (S_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: 330 Temperature: 1.350000 Total energy: -2073.313427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.313427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.313427 (E_RNA) where: Base-Base interactions energy: -1451.727 where: short stacking energy: -595.118 Base-Backbone interact. energy: -0.599 local terms energy: -620.987353 where: bonds (distance) C4'-P energy: -107.405 bonds (distance) P-C4' energy: -143.311 flat angles C4'-P-C4' energy: -129.754 flat angles P-C4'-P energy: -73.870 tors. eta vs tors. theta energy: -166.647 Dist. restrs. and SS energy: 0.000 (S_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: 331 Temperature: 0.900000 Total energy: -2698.529082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.529082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.529082 (E_RNA) where: Base-Base interactions energy: -1920.448 where: short stacking energy: -769.082 Base-Backbone interact. energy: -2.122 local terms energy: -775.959251 where: bonds (distance) C4'-P energy: -128.101 bonds (distance) P-C4' energy: -148.494 flat angles C4'-P-C4' energy: -162.947 flat angles P-C4'-P energy: -111.643 tors. eta vs tors. theta energy: -224.775 Dist. restrs. and SS energy: 0.000 (S_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: 331 Temperature: 0.950000 Total energy: -2677.802508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.802508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.802508 (E_RNA) where: Base-Base interactions energy: -1895.673 where: short stacking energy: -738.696 Base-Backbone interact. energy: -3.399 local terms energy: -778.730139 where: bonds (distance) C4'-P energy: -120.897 bonds (distance) P-C4' energy: -162.987 flat angles C4'-P-C4' energy: -156.146 flat angles P-C4'-P energy: -110.946 tors. eta vs tors. theta energy: -227.754 Dist. restrs. and SS energy: 0.000 (S_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: -2614.574926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.574926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.574926 (E_RNA) where: Base-Base interactions energy: -1867.162 where: short stacking energy: -737.979 Base-Backbone interact. energy: -1.803 local terms energy: -745.610226 where: bonds (distance) C4'-P energy: -114.528 bonds (distance) P-C4' energy: -146.754 flat angles C4'-P-C4' energy: -158.801 flat angles P-C4'-P energy: -106.632 tors. eta vs tors. theta energy: -218.894 Dist. restrs. and SS energy: 0.000 (S_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: 331 Temperature: 1.050000 Total energy: -2530.729386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.729386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.729386 (E_RNA) where: Base-Base interactions energy: -1781.370 where: short stacking energy: -729.510 Base-Backbone interact. energy: -1.945 local terms energy: -747.414631 where: bonds (distance) C4'-P energy: -118.968 bonds (distance) P-C4' energy: -147.703 flat angles C4'-P-C4' energy: -162.410 flat angles P-C4'-P energy: -99.369 tors. eta vs tors. theta energy: -218.965 Dist. restrs. and SS energy: 0.000 (S_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: 331 Temperature: 1.100000 Total energy: -2480.515805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.515805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.515805 (E_RNA) where: Base-Base interactions energy: -1752.100 where: short stacking energy: -701.269 Base-Backbone interact. energy: -2.137 local terms energy: -726.278513 where: bonds (distance) C4'-P energy: -114.002 bonds (distance) P-C4' energy: -138.949 flat angles C4'-P-C4' energy: -155.234 flat angles P-C4'-P energy: -104.062 tors. eta vs tors. theta energy: -214.031 Dist. restrs. and SS energy: 0.000 (S_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: 331 Temperature: 1.150000 Total energy: -2462.826675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.826675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.826675 (E_RNA) where: Base-Base interactions energy: -1718.320 where: short stacking energy: -695.947 Base-Backbone interact. energy: 0.047 local terms energy: -744.553790 where: bonds (distance) C4'-P energy: -116.290 bonds (distance) P-C4' energy: -153.456 flat angles C4'-P-C4' energy: -161.555 flat angles P-C4'-P energy: -104.946 tors. eta vs tors. theta energy: -208.308 Dist. restrs. and SS energy: 0.000 (S_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: 331 Temperature: 1.200000 Total energy: -2390.878771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.878771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.878771 (E_RNA) where: Base-Base interactions energy: -1686.869 where: short stacking energy: -672.113 Base-Backbone interact. energy: -0.488 local terms energy: -703.521561 where: bonds (distance) C4'-P energy: -103.846 bonds (distance) P-C4' energy: -144.807 flat angles C4'-P-C4' energy: -151.665 flat angles P-C4'-P energy: -98.750 tors. eta vs tors. theta energy: -204.455 Dist. restrs. and SS energy: 0.000 (S_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: 331 Temperature: 1.250000 Total energy: -2231.737278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.737278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.737278 (E_RNA) where: Base-Base interactions energy: -1572.240 where: short stacking energy: -636.689 Base-Backbone interact. energy: -1.560 local terms energy: -657.937784 where: bonds (distance) C4'-P energy: -104.208 bonds (distance) P-C4' energy: -146.993 flat angles C4'-P-C4' energy: -138.750 flat angles P-C4'-P energy: -85.540 tors. eta vs tors. theta energy: -182.447 Dist. restrs. and SS energy: 0.000 (S_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: 331 Temperature: 1.300000 Total energy: -2269.550555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.550555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.550555 (E_RNA) where: Base-Base interactions energy: -1585.159 where: short stacking energy: -644.870 Base-Backbone interact. energy: -1.277 local terms energy: -683.114615 where: bonds (distance) C4'-P energy: -106.393 bonds (distance) P-C4' energy: -144.644 flat angles C4'-P-C4' energy: -145.254 flat angles P-C4'-P energy: -95.314 tors. eta vs tors. theta energy: -191.510 Dist. restrs. and SS energy: 0.000 (S_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: 331 Temperature: 1.350000 Total energy: -2048.774217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.774217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.774217 (E_RNA) where: Base-Base interactions energy: -1420.803 where: short stacking energy: -582.393 Base-Backbone interact. energy: -0.785 local terms energy: -627.185704 where: bonds (distance) C4'-P energy: -114.274 bonds (distance) P-C4' energy: -142.983 flat angles C4'-P-C4' energy: -140.015 flat angles P-C4'-P energy: -83.279 tors. eta vs tors. theta energy: -146.635 Dist. restrs. and SS energy: 0.000 (S_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: 332 Temperature: 0.900000 Total energy: -2707.021229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.021229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.021229 (E_RNA) where: Base-Base interactions energy: -1917.599 where: short stacking energy: -763.253 Base-Backbone interact. energy: -1.346 local terms energy: -788.076748 where: bonds (distance) C4'-P energy: -118.462 bonds (distance) P-C4' energy: -166.051 flat angles C4'-P-C4' energy: -162.059 flat angles P-C4'-P energy: -115.807 tors. eta vs tors. theta energy: -225.697 Dist. restrs. and SS energy: 0.000 (S_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: 332 Temperature: 0.950000 Total energy: -2680.408450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.408450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.408450 (E_RNA) where: Base-Base interactions energy: -1913.879 where: short stacking energy: -752.612 Base-Backbone interact. energy: -2.828 local terms energy: -763.701079 where: bonds (distance) C4'-P energy: -122.358 bonds (distance) P-C4' energy: -149.962 flat angles C4'-P-C4' energy: -154.525 flat angles P-C4'-P energy: -116.677 tors. eta vs tors. theta energy: -220.179 Dist. restrs. and SS energy: 0.000 (S_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: 332 Temperature: 1.000000 Total energy: -2614.492485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.492485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.492485 (E_RNA) where: Base-Base interactions energy: -1849.707 where: short stacking energy: -738.907 Base-Backbone interact. energy: -1.151 local terms energy: -763.634833 where: bonds (distance) C4'-P energy: -126.573 bonds (distance) P-C4' energy: -147.954 flat angles C4'-P-C4' energy: -154.850 flat angles P-C4'-P energy: -109.057 tors. eta vs tors. theta energy: -225.201 Dist. restrs. and SS energy: 0.000 (S_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: 332 Temperature: 1.050000 Total energy: -2539.251695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.251695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.251695 (E_RNA) where: Base-Base interactions energy: -1812.836 where: short stacking energy: -736.450 Base-Backbone interact. energy: -0.891 local terms energy: -725.524779 where: bonds (distance) C4'-P energy: -110.203 bonds (distance) P-C4' energy: -138.627 flat angles C4'-P-C4' energy: -153.357 flat angles P-C4'-P energy: -101.752 tors. eta vs tors. theta energy: -221.586 Dist. restrs. and SS energy: 0.000 (S_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: 332 Temperature: 1.100000 Total energy: -2470.021781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.021781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.021781 (E_RNA) where: Base-Base interactions energy: -1744.672 where: short stacking energy: -708.791 Base-Backbone interact. energy: -0.661 local terms energy: -724.689265 where: bonds (distance) C4'-P energy: -102.186 bonds (distance) P-C4' energy: -141.510 flat angles C4'-P-C4' energy: -158.632 flat angles P-C4'-P energy: -109.908 tors. eta vs tors. theta energy: -212.453 Dist. restrs. and SS energy: 0.000 (S_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: 332 Temperature: 1.150000 Total energy: -2475.897861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.897861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.897861 (E_RNA) where: Base-Base interactions energy: -1736.446 where: short stacking energy: -704.658 Base-Backbone interact. energy: -1.642 local terms energy: -737.810131 where: bonds (distance) C4'-P energy: -120.899 bonds (distance) P-C4' energy: -148.107 flat angles C4'-P-C4' energy: -152.659 flat angles P-C4'-P energy: -100.780 tors. eta vs tors. theta energy: -215.365 Dist. restrs. and SS energy: 0.000 (S_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: 332 Temperature: 1.200000 Total energy: -2376.005882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.005882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.005882 (E_RNA) where: Base-Base interactions energy: -1666.613 where: short stacking energy: -656.141 Base-Backbone interact. energy: -1.952 local terms energy: -707.440434 where: bonds (distance) C4'-P energy: -125.673 bonds (distance) P-C4' energy: -132.065 flat angles C4'-P-C4' energy: -145.348 flat angles P-C4'-P energy: -103.411 tors. eta vs tors. theta energy: -200.942 Dist. restrs. and SS energy: 0.000 (S_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: 332 Temperature: 1.250000 Total energy: -2239.166095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.166095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.166095 (E_RNA) where: Base-Base interactions energy: -1566.248 where: short stacking energy: -648.003 Base-Backbone interact. energy: 0.967 local terms energy: -673.884356 where: bonds (distance) C4'-P energy: -113.891 bonds (distance) P-C4' energy: -135.635 flat angles C4'-P-C4' energy: -146.305 flat angles P-C4'-P energy: -89.284 tors. eta vs tors. theta energy: -188.769 Dist. restrs. and SS energy: 0.000 (S_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: 332 Temperature: 1.300000 Total energy: -2196.549868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.549868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.549868 (E_RNA) where: Base-Base interactions energy: -1539.731 where: short stacking energy: -632.457 Base-Backbone interact. energy: -0.988 local terms energy: -655.831690 where: bonds (distance) C4'-P energy: -102.016 bonds (distance) P-C4' energy: -139.369 flat angles C4'-P-C4' energy: -143.062 flat angles P-C4'-P energy: -97.868 tors. eta vs tors. theta energy: -173.517 Dist. restrs. and SS energy: 0.000 (S_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: 332 Temperature: 1.350000 Total energy: -2075.879937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.879937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.879937 (E_RNA) where: Base-Base interactions energy: -1448.687 where: short stacking energy: -609.445 Base-Backbone interact. energy: -1.044 local terms energy: -626.149472 where: bonds (distance) C4'-P energy: -91.702 bonds (distance) P-C4' energy: -125.062 flat angles C4'-P-C4' energy: -148.327 flat angles P-C4'-P energy: -94.308 tors. eta vs tors. theta energy: -166.750 Dist. restrs. and SS energy: 0.000 (S_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: 333 Temperature: 0.900000 Total energy: -2718.185563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.185563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.185563 (E_RNA) where: Base-Base interactions energy: -1930.532 where: short stacking energy: -777.843 Base-Backbone interact. energy: -2.760 local terms energy: -784.893326 where: bonds (distance) C4'-P energy: -124.332 bonds (distance) P-C4' energy: -153.052 flat angles C4'-P-C4' energy: -166.370 flat angles P-C4'-P energy: -108.219 tors. eta vs tors. theta energy: -232.921 Dist. restrs. and SS energy: 0.000 (S_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: 333 Temperature: 0.950000 Total energy: -2677.792604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.792604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.792604 (E_RNA) where: Base-Base interactions energy: -1909.555 where: short stacking energy: -761.097 Base-Backbone interact. energy: -4.206 local terms energy: -764.031500 where: bonds (distance) C4'-P energy: -117.248 bonds (distance) P-C4' energy: -150.283 flat angles C4'-P-C4' energy: -166.934 flat angles P-C4'-P energy: -109.531 tors. eta vs tors. theta energy: -220.035 Dist. restrs. and SS energy: 0.000 (S_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: 333 Temperature: 1.000000 Total energy: -2649.584625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.584625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.584625 (E_RNA) where: Base-Base interactions energy: -1886.277 where: short stacking energy: -742.696 Base-Backbone interact. energy: -1.735 local terms energy: -761.572405 where: bonds (distance) C4'-P energy: -118.022 bonds (distance) P-C4' energy: -155.817 flat angles C4'-P-C4' energy: -160.880 flat angles P-C4'-P energy: -104.884 tors. eta vs tors. theta energy: -221.969 Dist. restrs. and SS energy: 0.000 (S_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: 333 Temperature: 1.050000 Total energy: -2556.117790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.117790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.117790 (E_RNA) where: Base-Base interactions energy: -1806.464 where: short stacking energy: -715.195 Base-Backbone interact. energy: -1.876 local terms energy: -747.777784 where: bonds (distance) C4'-P energy: -115.553 bonds (distance) P-C4' energy: -149.986 flat angles C4'-P-C4' energy: -159.134 flat angles P-C4'-P energy: -103.159 tors. eta vs tors. theta energy: -219.946 Dist. restrs. and SS energy: 0.000 (S_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: 333 Temperature: 1.100000 Total energy: -2476.481126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.481126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.481126 (E_RNA) where: Base-Base interactions energy: -1747.324 where: short stacking energy: -705.760 Base-Backbone interact. energy: -1.548 local terms energy: -727.608416 where: bonds (distance) C4'-P energy: -115.702 bonds (distance) P-C4' energy: -155.219 flat angles C4'-P-C4' energy: -148.007 flat angles P-C4'-P energy: -98.111 tors. eta vs tors. theta energy: -210.568 Dist. restrs. and SS energy: 0.000 (S_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: -2469.862472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.862472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.862472 (E_RNA) where: Base-Base interactions energy: -1744.464 where: short stacking energy: -713.498 Base-Backbone interact. energy: -2.527 local terms energy: -722.872005 where: bonds (distance) C4'-P energy: -121.757 bonds (distance) P-C4' energy: -136.054 flat angles C4'-P-C4' energy: -142.673 flat angles P-C4'-P energy: -104.338 tors. eta vs tors. theta energy: -218.050 Dist. restrs. and SS energy: 0.000 (S_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: 333 Temperature: 1.200000 Total energy: -2375.072788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.072788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.072788 (E_RNA) where: Base-Base interactions energy: -1696.436 where: short stacking energy: -687.530 Base-Backbone interact. energy: 0.292 local terms energy: -678.929019 where: bonds (distance) C4'-P energy: -94.602 bonds (distance) P-C4' energy: -147.647 flat angles C4'-P-C4' energy: -149.547 flat angles P-C4'-P energy: -91.415 tors. eta vs tors. theta energy: -195.718 Dist. restrs. and SS energy: 0.000 (S_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: 333 Temperature: 1.250000 Total energy: -2255.164214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.164214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.164214 (E_RNA) where: Base-Base interactions energy: -1575.553 where: short stacking energy: -643.964 Base-Backbone interact. energy: 0.438 local terms energy: -680.049603 where: bonds (distance) C4'-P energy: -104.377 bonds (distance) P-C4' energy: -147.365 flat angles C4'-P-C4' energy: -151.400 flat angles P-C4'-P energy: -88.557 tors. eta vs tors. theta energy: -188.351 Dist. restrs. and SS energy: 0.000 (S_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: 333 Temperature: 1.300000 Total energy: -2182.995719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.995719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.995719 (E_RNA) where: Base-Base interactions energy: -1511.551 where: short stacking energy: -637.314 Base-Backbone interact. energy: -1.272 local terms energy: -670.172869 where: bonds (distance) C4'-P energy: -96.141 bonds (distance) P-C4' energy: -141.488 flat angles C4'-P-C4' energy: -146.615 flat angles P-C4'-P energy: -99.970 tors. eta vs tors. theta energy: -185.958 Dist. restrs. and SS energy: 0.000 (S_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: 333 Temperature: 1.350000 Total energy: -2064.897282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.897282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.897282 (E_RNA) where: Base-Base interactions energy: -1436.672 where: short stacking energy: -588.202 Base-Backbone interact. energy: -0.107 local terms energy: -628.118147 where: bonds (distance) C4'-P energy: -102.187 bonds (distance) P-C4' energy: -131.785 flat angles C4'-P-C4' energy: -136.111 flat angles P-C4'-P energy: -89.528 tors. eta vs tors. theta energy: -168.508 Dist. restrs. and SS energy: 0.000 (S_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: 334 Temperature: 0.900000 Total energy: -2698.438632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.438632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.438632 (E_RNA) where: Base-Base interactions energy: -1923.655 where: short stacking energy: -747.751 Base-Backbone interact. energy: -3.760 local terms energy: -771.022891 where: bonds (distance) C4'-P energy: -119.794 bonds (distance) P-C4' energy: -157.209 flat angles C4'-P-C4' energy: -164.095 flat angles P-C4'-P energy: -108.116 tors. eta vs tors. theta energy: -221.808 Dist. restrs. and SS energy: 0.000 (S_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: 334 Temperature: 0.950000 Total energy: -2692.557587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.557587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.557587 (E_RNA) where: Base-Base interactions energy: -1916.379 where: short stacking energy: -763.328 Base-Backbone interact. energy: -2.807 local terms energy: -773.371653 where: bonds (distance) C4'-P energy: -119.940 bonds (distance) P-C4' energy: -145.428 flat angles C4'-P-C4' energy: -163.439 flat angles P-C4'-P energy: -114.270 tors. eta vs tors. theta energy: -230.294 Dist. restrs. and SS energy: 0.000 (S_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: 334 Temperature: 1.000000 Total energy: -2621.401129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.401129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.401129 (E_RNA) where: Base-Base interactions energy: -1859.767 where: short stacking energy: -740.810 Base-Backbone interact. energy: -1.387 local terms energy: -760.247134 where: bonds (distance) C4'-P energy: -116.655 bonds (distance) P-C4' energy: -150.651 flat angles C4'-P-C4' energy: -159.932 flat angles P-C4'-P energy: -109.042 tors. eta vs tors. theta energy: -223.966 Dist. restrs. and SS energy: 0.000 (S_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: 334 Temperature: 1.050000 Total energy: -2554.277325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.277325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.277325 (E_RNA) where: Base-Base interactions energy: -1792.154 where: short stacking energy: -722.134 Base-Backbone interact. energy: -0.432 local terms energy: -761.691790 where: bonds (distance) C4'-P energy: -118.802 bonds (distance) P-C4' energy: -151.272 flat angles C4'-P-C4' energy: -158.402 flat angles P-C4'-P energy: -113.951 tors. eta vs tors. theta energy: -219.265 Dist. restrs. and SS energy: 0.000 (S_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: -2510.613009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.613009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.613009 (E_RNA) where: Base-Base interactions energy: -1771.768 where: short stacking energy: -716.758 Base-Backbone interact. energy: -2.758 local terms energy: -736.086737 where: bonds (distance) C4'-P energy: -108.586 bonds (distance) P-C4' energy: -137.715 flat angles C4'-P-C4' energy: -161.990 flat angles P-C4'-P energy: -111.910 tors. eta vs tors. theta energy: -215.885 Dist. restrs. and SS energy: 0.000 (S_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: 334 Temperature: 1.150000 Total energy: -2454.656483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.656483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.656483 (E_RNA) where: Base-Base interactions energy: -1732.598 where: short stacking energy: -682.645 Base-Backbone interact. energy: -2.670 local terms energy: -719.388255 where: bonds (distance) C4'-P energy: -107.488 bonds (distance) P-C4' energy: -143.124 flat angles C4'-P-C4' energy: -161.878 flat angles P-C4'-P energy: -99.210 tors. eta vs tors. theta energy: -207.687 Dist. restrs. and SS energy: 0.000 (S_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: 334 Temperature: 1.200000 Total energy: -2393.933112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.933112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.933112 (E_RNA) where: Base-Base interactions energy: -1692.181 where: short stacking energy: -697.227 Base-Backbone interact. energy: -0.786 local terms energy: -700.965722 where: bonds (distance) C4'-P energy: -103.748 bonds (distance) P-C4' energy: -132.845 flat angles C4'-P-C4' energy: -144.554 flat angles P-C4'-P energy: -110.478 tors. eta vs tors. theta energy: -209.341 Dist. restrs. and SS energy: 0.000 (S_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: 334 Temperature: 1.250000 Total energy: -2284.806981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.806981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.806981 (E_RNA) where: Base-Base interactions energy: -1593.021 where: short stacking energy: -652.698 Base-Backbone interact. energy: 0.676 local terms energy: -692.462921 where: bonds (distance) C4'-P energy: -108.558 bonds (distance) P-C4' energy: -145.126 flat angles C4'-P-C4' energy: -139.052 flat angles P-C4'-P energy: -105.538 tors. eta vs tors. theta energy: -194.189 Dist. restrs. and SS energy: 0.000 (S_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: 334 Temperature: 1.300000 Total energy: -2178.654271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.654271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.654271 (E_RNA) where: Base-Base interactions energy: -1502.852 where: short stacking energy: -601.260 Base-Backbone interact. energy: -1.515 local terms energy: -674.286661 where: bonds (distance) C4'-P energy: -120.229 bonds (distance) P-C4' energy: -141.587 flat angles C4'-P-C4' energy: -155.051 flat angles P-C4'-P energy: -83.307 tors. eta vs tors. theta energy: -174.112 Dist. restrs. and SS energy: 0.000 (S_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: 334 Temperature: 1.350000 Total energy: -2046.975338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.975338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.975338 (E_RNA) where: Base-Base interactions energy: -1422.115 where: short stacking energy: -586.518 Base-Backbone interact. energy: 2.643 local terms energy: -627.503196 where: bonds (distance) C4'-P energy: -98.998 bonds (distance) P-C4' energy: -139.888 flat angles C4'-P-C4' energy: -131.740 flat angles P-C4'-P energy: -95.047 tors. eta vs tors. theta energy: -161.831 Dist. restrs. and SS energy: 0.000 (S_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: 335 Temperature: 0.900000 Total energy: -2700.121591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.121591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.121591 (E_RNA) where: Base-Base interactions energy: -1924.807 where: short stacking energy: -769.379 Base-Backbone interact. energy: -1.837 local terms energy: -773.477328 where: bonds (distance) C4'-P energy: -126.437 bonds (distance) P-C4' energy: -159.368 flat angles C4'-P-C4' energy: -155.329 flat angles P-C4'-P energy: -108.031 tors. eta vs tors. theta energy: -224.312 Dist. restrs. and SS energy: 0.000 (S_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: 335 Temperature: 0.950000 Total energy: -2672.863825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.863825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.863825 (E_RNA) where: Base-Base interactions energy: -1910.227 where: short stacking energy: -761.606 Base-Backbone interact. energy: -3.788 local terms energy: -758.848689 where: bonds (distance) C4'-P energy: -115.129 bonds (distance) P-C4' energy: -150.868 flat angles C4'-P-C4' energy: -154.066 flat angles P-C4'-P energy: -113.323 tors. eta vs tors. theta energy: -225.463 Dist. restrs. and SS energy: 0.000 (S_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: 335 Temperature: 1.000000 Total energy: -2620.009622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.009622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.009622 (E_RNA) where: Base-Base interactions energy: -1861.991 where: short stacking energy: -738.117 Base-Backbone interact. energy: -1.529 local terms energy: -756.490037 where: bonds (distance) C4'-P energy: -119.597 bonds (distance) P-C4' energy: -145.508 flat angles C4'-P-C4' energy: -155.605 flat angles P-C4'-P energy: -108.145 tors. eta vs tors. theta energy: -227.635 Dist. restrs. and SS energy: 0.000 (S_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: 335 Temperature: 1.050000 Total energy: -2544.132146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.132146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.132146 (E_RNA) where: Base-Base interactions energy: -1803.607 where: short stacking energy: -717.313 Base-Backbone interact. energy: -1.816 local terms energy: -738.709763 where: bonds (distance) C4'-P energy: -115.379 bonds (distance) P-C4' energy: -141.002 flat angles C4'-P-C4' energy: -158.141 flat angles P-C4'-P energy: -103.572 tors. eta vs tors. theta energy: -220.617 Dist. restrs. and SS energy: 0.000 (S_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: 335 Temperature: 1.100000 Total energy: -2485.072861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.072861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.072861 (E_RNA) where: Base-Base interactions energy: -1771.474 where: short stacking energy: -721.709 Base-Backbone interact. energy: -2.944 local terms energy: -710.655482 where: bonds (distance) C4'-P energy: -112.547 bonds (distance) P-C4' energy: -136.771 flat angles C4'-P-C4' energy: -158.270 flat angles P-C4'-P energy: -100.636 tors. eta vs tors. theta energy: -202.431 Dist. restrs. and SS energy: 0.000 (S_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: -2487.442518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.442518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.442518 (E_RNA) where: Base-Base interactions energy: -1765.197 where: short stacking energy: -708.921 Base-Backbone interact. energy: -2.475 local terms energy: -719.769866 where: bonds (distance) C4'-P energy: -119.359 bonds (distance) P-C4' energy: -139.669 flat angles C4'-P-C4' energy: -151.892 flat angles P-C4'-P energy: -96.860 tors. eta vs tors. theta energy: -211.990 Dist. restrs. and SS energy: 0.000 (S_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: 335 Temperature: 1.200000 Total energy: -2394.153778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.153778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.153778 (E_RNA) where: Base-Base interactions energy: -1696.340 where: short stacking energy: -690.536 Base-Backbone interact. energy: -1.013 local terms energy: -696.801243 where: bonds (distance) C4'-P energy: -103.142 bonds (distance) P-C4' energy: -136.690 flat angles C4'-P-C4' energy: -148.391 flat angles P-C4'-P energy: -101.404 tors. eta vs tors. theta energy: -207.175 Dist. restrs. and SS energy: 0.000 (S_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: 335 Temperature: 1.250000 Total energy: -2248.390252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.390252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.390252 (E_RNA) where: Base-Base interactions energy: -1562.655 where: short stacking energy: -634.210 Base-Backbone interact. energy: -0.939 local terms energy: -684.796631 where: bonds (distance) C4'-P energy: -116.313 bonds (distance) P-C4' energy: -150.637 flat angles C4'-P-C4' energy: -144.746 flat angles P-C4'-P energy: -94.244 tors. eta vs tors. theta energy: -178.856 Dist. restrs. and SS energy: 0.000 (S_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: 335 Temperature: 1.300000 Total energy: -2244.745892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.745892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.745892 (E_RNA) where: Base-Base interactions energy: -1573.959 where: short stacking energy: -640.244 Base-Backbone interact. energy: -1.633 local terms energy: -669.154392 where: bonds (distance) C4'-P energy: -106.841 bonds (distance) P-C4' energy: -135.320 flat angles C4'-P-C4' energy: -140.413 flat angles P-C4'-P energy: -100.995 tors. eta vs tors. theta energy: -185.585 Dist. restrs. and SS energy: 0.000 (S_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: 335 Temperature: 1.350000 Total energy: -2007.797709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.797709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.797709 (E_RNA) where: Base-Base interactions energy: -1388.121 where: short stacking energy: -576.825 Base-Backbone interact. energy: -2.970 local terms energy: -616.707047 where: bonds (distance) C4'-P energy: -120.057 bonds (distance) P-C4' energy: -119.924 flat angles C4'-P-C4' energy: -130.350 flat angles P-C4'-P energy: -91.858 tors. eta vs tors. theta energy: -154.518 Dist. restrs. and SS energy: 0.000 (S_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: 336 Temperature: 0.900000 Total energy: -2707.714679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.714679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.714679 (E_RNA) where: Base-Base interactions energy: -1935.010 where: short stacking energy: -760.004 Base-Backbone interact. energy: -1.628 local terms energy: -771.076302 where: bonds (distance) C4'-P energy: -119.173 bonds (distance) P-C4' energy: -162.934 flat angles C4'-P-C4' energy: -157.004 flat angles P-C4'-P energy: -107.341 tors. eta vs tors. theta energy: -224.624 Dist. restrs. and SS energy: 0.000 (S_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: 336 Temperature: 0.950000 Total energy: -2676.264645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.264645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.264645 (E_RNA) where: Base-Base interactions energy: -1903.594 where: short stacking energy: -760.644 Base-Backbone interact. energy: -1.486 local terms energy: -771.184564 where: bonds (distance) C4'-P energy: -125.505 bonds (distance) P-C4' energy: -152.385 flat angles C4'-P-C4' energy: -152.574 flat angles P-C4'-P energy: -111.655 tors. eta vs tors. theta energy: -229.066 Dist. restrs. and SS energy: 0.000 (S_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: 336 Temperature: 1.000000 Total energy: -2625.938398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.938398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.938398 (E_RNA) where: Base-Base interactions energy: -1883.364 where: short stacking energy: -746.127 Base-Backbone interact. energy: -1.650 local terms energy: -740.924414 where: bonds (distance) C4'-P energy: -107.484 bonds (distance) P-C4' energy: -149.649 flat angles C4'-P-C4' energy: -154.675 flat angles P-C4'-P energy: -112.746 tors. eta vs tors. theta energy: -216.370 Dist. restrs. and SS energy: 0.000 (S_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: -2555.059099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.059099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.059099 (E_RNA) where: Base-Base interactions energy: -1804.705 where: short stacking energy: -720.886 Base-Backbone interact. energy: -1.470 local terms energy: -748.883328 where: bonds (distance) C4'-P energy: -116.617 bonds (distance) P-C4' energy: -153.209 flat angles C4'-P-C4' energy: -155.836 flat angles P-C4'-P energy: -106.985 tors. eta vs tors. theta energy: -216.236 Dist. restrs. and SS energy: 0.000 (S_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: -2507.996671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.996671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.996671 (E_RNA) where: Base-Base interactions energy: -1773.335 where: short stacking energy: -716.307 Base-Backbone interact. energy: -1.401 local terms energy: -733.260299 where: bonds (distance) C4'-P energy: -119.763 bonds (distance) P-C4' energy: -128.656 flat angles C4'-P-C4' energy: -163.381 flat angles P-C4'-P energy: -101.465 tors. eta vs tors. theta energy: -219.995 Dist. restrs. and SS energy: 0.000 (S_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: 336 Temperature: 1.150000 Total energy: -2455.453213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.453213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.453213 (E_RNA) where: Base-Base interactions energy: -1734.784 where: short stacking energy: -708.962 Base-Backbone interact. energy: -0.863 local terms energy: -719.806498 where: bonds (distance) C4'-P energy: -108.762 bonds (distance) P-C4' energy: -146.138 flat angles C4'-P-C4' energy: -154.729 flat angles P-C4'-P energy: -96.107 tors. eta vs tors. theta energy: -214.070 Dist. restrs. and SS energy: 0.000 (S_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: 336 Temperature: 1.200000 Total energy: -2288.881506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.881506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.881506 (E_RNA) where: Base-Base interactions energy: -1628.580 where: short stacking energy: -661.732 Base-Backbone interact. energy: -2.982 local terms energy: -657.320079 where: bonds (distance) C4'-P energy: -99.495 bonds (distance) P-C4' energy: -129.547 flat angles C4'-P-C4' energy: -143.200 flat angles P-C4'-P energy: -101.204 tors. eta vs tors. theta energy: -183.874 Dist. restrs. and SS energy: 0.000 (S_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: 336 Temperature: 1.250000 Total energy: -2278.367097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.367097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.367097 (E_RNA) where: Base-Base interactions energy: -1589.206 where: short stacking energy: -644.858 Base-Backbone interact. energy: -1.060 local terms energy: -688.100436 where: bonds (distance) C4'-P energy: -117.846 bonds (distance) P-C4' energy: -139.986 flat angles C4'-P-C4' energy: -151.109 flat angles P-C4'-P energy: -87.954 tors. eta vs tors. theta energy: -191.207 Dist. restrs. and SS energy: 0.000 (S_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: 336 Temperature: 1.300000 Total energy: -2254.756367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.756367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.756367 (E_RNA) where: Base-Base interactions energy: -1555.102 where: short stacking energy: -634.335 Base-Backbone interact. energy: -2.133 local terms energy: -697.520836 where: bonds (distance) C4'-P energy: -115.770 bonds (distance) P-C4' energy: -156.136 flat angles C4'-P-C4' energy: -143.330 flat angles P-C4'-P energy: -91.915 tors. eta vs tors. theta energy: -190.370 Dist. restrs. and SS energy: 0.000 (S_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: 336 Temperature: 1.350000 Total energy: -2020.215009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.215009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.215009 (E_RNA) where: Base-Base interactions energy: -1391.822 where: short stacking energy: -581.991 Base-Backbone interact. energy: -2.071 local terms energy: -626.321984 where: bonds (distance) C4'-P energy: -110.363 bonds (distance) P-C4' energy: -140.617 flat angles C4'-P-C4' energy: -141.028 flat angles P-C4'-P energy: -82.697 tors. eta vs tors. theta energy: -151.618 Dist. restrs. and SS energy: 0.000 (S_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: 337 Temperature: 0.900000 Total energy: -2702.754507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.754507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.754507 (E_RNA) where: Base-Base interactions energy: -1923.460 where: short stacking energy: -751.519 Base-Backbone interact. energy: -1.954 local terms energy: -777.340918 where: bonds (distance) C4'-P energy: -114.277 bonds (distance) P-C4' energy: -155.963 flat angles C4'-P-C4' energy: -166.245 flat angles P-C4'-P energy: -118.381 tors. eta vs tors. theta energy: -222.475 Dist. restrs. and SS energy: 0.000 (S_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: 337 Temperature: 0.950000 Total energy: -2665.789161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.789161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.789161 (E_RNA) where: Base-Base interactions energy: -1910.055 where: short stacking energy: -748.331 Base-Backbone interact. energy: -2.069 local terms energy: -753.664989 where: bonds (distance) C4'-P energy: -116.504 bonds (distance) P-C4' energy: -143.212 flat angles C4'-P-C4' energy: -159.057 flat angles P-C4'-P energy: -113.765 tors. eta vs tors. theta energy: -221.126 Dist. restrs. and SS energy: 0.000 (S_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: 337 Temperature: 1.000000 Total energy: -2658.433250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.433250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.433250 (E_RNA) where: Base-Base interactions energy: -1903.749 where: short stacking energy: -763.759 Base-Backbone interact. energy: -2.266 local terms energy: -752.417419 where: bonds (distance) C4'-P energy: -109.563 bonds (distance) P-C4' energy: -156.877 flat angles C4'-P-C4' energy: -154.144 flat angles P-C4'-P energy: -106.198 tors. eta vs tors. theta energy: -225.635 Dist. restrs. and SS energy: 0.000 (S_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: -2535.952870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.952870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.952870 (E_RNA) where: Base-Base interactions energy: -1784.355 where: short stacking energy: -725.696 Base-Backbone interact. energy: -1.501 local terms energy: -750.097141 where: bonds (distance) C4'-P energy: -123.630 bonds (distance) P-C4' energy: -139.505 flat angles C4'-P-C4' energy: -161.087 flat angles P-C4'-P energy: -106.857 tors. eta vs tors. theta energy: -219.018 Dist. restrs. and SS energy: 0.000 (S_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: -2538.481906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.481906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.481906 (E_RNA) where: Base-Base interactions energy: -1779.974 where: short stacking energy: -712.703 Base-Backbone interact. energy: 2.874 local terms energy: -761.382180 where: bonds (distance) C4'-P energy: -118.842 bonds (distance) P-C4' energy: -153.504 flat angles C4'-P-C4' energy: -151.382 flat angles P-C4'-P energy: -114.995 tors. eta vs tors. theta energy: -222.660 Dist. restrs. and SS energy: 0.000 (S_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: 337 Temperature: 1.150000 Total energy: -2461.189842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.189842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.189842 (E_RNA) where: Base-Base interactions energy: -1725.733 where: short stacking energy: -709.514 Base-Backbone interact. energy: -1.110 local terms energy: -734.346917 where: bonds (distance) C4'-P energy: -126.217 bonds (distance) P-C4' energy: -152.990 flat angles C4'-P-C4' energy: -143.592 flat angles P-C4'-P energy: -105.133 tors. eta vs tors. theta energy: -206.416 Dist. restrs. and SS energy: 0.000 (S_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: 337 Temperature: 1.200000 Total energy: -2296.528731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.528731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.528731 (E_RNA) where: Base-Base interactions energy: -1609.123 where: short stacking energy: -673.310 Base-Backbone interact. energy: -2.448 local terms energy: -684.958021 where: bonds (distance) C4'-P energy: -111.170 bonds (distance) P-C4' energy: -140.708 flat angles C4'-P-C4' energy: -151.953 flat angles P-C4'-P energy: -94.490 tors. eta vs tors. theta energy: -186.637 Dist. restrs. and SS energy: 0.000 (S_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: 337 Temperature: 1.250000 Total energy: -2296.099944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.099944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.099944 (E_RNA) where: Base-Base interactions energy: -1595.637 where: short stacking energy: -656.642 Base-Backbone interact. energy: -2.115 local terms energy: -698.347548 where: bonds (distance) C4'-P energy: -116.502 bonds (distance) P-C4' energy: -147.367 flat angles C4'-P-C4' energy: -144.379 flat angles P-C4'-P energy: -103.577 tors. eta vs tors. theta energy: -186.523 Dist. restrs. and SS energy: 0.000 (S_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: 337 Temperature: 1.300000 Total energy: -2220.737749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.737749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.737749 (E_RNA) where: Base-Base interactions energy: -1565.577 where: short stacking energy: -644.749 Base-Backbone interact. energy: -1.917 local terms energy: -653.243730 where: bonds (distance) C4'-P energy: -97.618 bonds (distance) P-C4' energy: -141.096 flat angles C4'-P-C4' energy: -132.137 flat angles P-C4'-P energy: -86.101 tors. eta vs tors. theta energy: -196.292 Dist. restrs. and SS energy: 0.000 (S_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: 337 Temperature: 1.350000 Total energy: -1978.889407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.889407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.889407 (E_RNA) where: Base-Base interactions energy: -1347.221 where: short stacking energy: -554.129 Base-Backbone interact. energy: -1.144 local terms energy: -630.524786 where: bonds (distance) C4'-P energy: -105.064 bonds (distance) P-C4' energy: -148.937 flat angles C4'-P-C4' energy: -142.304 flat angles P-C4'-P energy: -81.421 tors. eta vs tors. theta energy: -152.799 Dist. restrs. and SS energy: 0.000 (S_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: 338 Temperature: 0.900000 Total energy: -2675.414306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.414306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.414306 (E_RNA) where: Base-Base interactions energy: -1906.260 where: short stacking energy: -749.916 Base-Backbone interact. energy: -2.362 local terms energy: -766.791623 where: bonds (distance) C4'-P energy: -118.661 bonds (distance) P-C4' energy: -156.621 flat angles C4'-P-C4' energy: -158.684 flat angles P-C4'-P energy: -116.136 tors. eta vs tors. theta energy: -216.689 Dist. restrs. and SS energy: 0.000 (S_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: 338 Temperature: 0.950000 Total energy: -2695.555716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.555716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.555716 (E_RNA) where: Base-Base interactions energy: -1925.291 where: short stacking energy: -757.842 Base-Backbone interact. energy: 0.073 local terms energy: -770.337709 where: bonds (distance) C4'-P energy: -113.615 bonds (distance) P-C4' energy: -150.593 flat angles C4'-P-C4' energy: -160.190 flat angles P-C4'-P energy: -114.685 tors. eta vs tors. theta energy: -231.254 Dist. restrs. and SS energy: 0.000 (S_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: 338 Temperature: 1.000000 Total energy: -2659.716045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.716045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.716045 (E_RNA) where: Base-Base interactions energy: -1893.734 where: short stacking energy: -749.112 Base-Backbone interact. energy: -1.326 local terms energy: -764.656161 where: bonds (distance) C4'-P energy: -121.979 bonds (distance) P-C4' energy: -152.362 flat angles C4'-P-C4' energy: -153.199 flat angles P-C4'-P energy: -112.933 tors. eta vs tors. theta energy: -224.183 Dist. restrs. and SS energy: 0.000 (S_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: 338 Temperature: 1.050000 Total energy: -2551.974366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.974366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.974366 (E_RNA) where: Base-Base interactions energy: -1810.657 where: short stacking energy: -723.399 Base-Backbone interact. energy: -0.879 local terms energy: -740.437611 where: bonds (distance) C4'-P energy: -109.046 bonds (distance) P-C4' energy: -149.797 flat angles C4'-P-C4' energy: -151.402 flat angles P-C4'-P energy: -110.349 tors. eta vs tors. theta energy: -219.844 Dist. restrs. and SS energy: 0.000 (S_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: 338 Temperature: 1.100000 Total energy: -2493.501765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.501765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.501765 (E_RNA) where: Base-Base interactions energy: -1766.115 where: short stacking energy: -723.552 Base-Backbone interact. energy: 1.282 local terms energy: -728.669002 where: bonds (distance) C4'-P energy: -119.975 bonds (distance) P-C4' energy: -143.764 flat angles C4'-P-C4' energy: -154.376 flat angles P-C4'-P energy: -97.748 tors. eta vs tors. theta energy: -212.806 Dist. restrs. and SS energy: 0.000 (S_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: -2504.191132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.191132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.191132 (E_RNA) where: Base-Base interactions energy: -1778.078 where: short stacking energy: -714.530 Base-Backbone interact. energy: 0.803 local terms energy: -726.916114 where: bonds (distance) C4'-P energy: -117.742 bonds (distance) P-C4' energy: -153.543 flat angles C4'-P-C4' energy: -149.623 flat angles P-C4'-P energy: -93.169 tors. eta vs tors. theta energy: -212.838 Dist. restrs. and SS energy: 0.000 (S_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: 338 Temperature: 1.200000 Total energy: -2367.625233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.625233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.625233 (E_RNA) where: Base-Base interactions energy: -1671.652 where: short stacking energy: -676.880 Base-Backbone interact. energy: 0.534 local terms energy: -696.507780 where: bonds (distance) C4'-P energy: -111.504 bonds (distance) P-C4' energy: -138.297 flat angles C4'-P-C4' energy: -152.419 flat angles P-C4'-P energy: -95.716 tors. eta vs tors. theta energy: -198.571 Dist. restrs. and SS energy: 0.000 (S_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: 338 Temperature: 1.250000 Total energy: -2297.252307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.252307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.252307 (E_RNA) where: Base-Base interactions energy: -1616.905 where: short stacking energy: -641.680 Base-Backbone interact. energy: -1.176 local terms energy: -679.171881 where: bonds (distance) C4'-P energy: -104.647 bonds (distance) P-C4' energy: -144.139 flat angles C4'-P-C4' energy: -150.532 flat angles P-C4'-P energy: -84.163 tors. eta vs tors. theta energy: -195.691 Dist. restrs. and SS energy: 0.000 (S_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: 338 Temperature: 1.300000 Total energy: -2230.554120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.554120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.554120 (E_RNA) where: Base-Base interactions energy: -1569.225 where: short stacking energy: -643.290 Base-Backbone interact. energy: -2.361 local terms energy: -658.968159 where: bonds (distance) C4'-P energy: -94.785 bonds (distance) P-C4' energy: -136.441 flat angles C4'-P-C4' energy: -140.114 flat angles P-C4'-P energy: -102.160 tors. eta vs tors. theta energy: -185.468 Dist. restrs. and SS energy: 0.000 (S_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: 338 Temperature: 1.350000 Total energy: -1976.838375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.838375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.838375 (E_RNA) where: Base-Base interactions energy: -1369.961 where: short stacking energy: -568.095 Base-Backbone interact. energy: -2.389 local terms energy: -604.488694 where: bonds (distance) C4'-P energy: -95.815 bonds (distance) P-C4' energy: -135.541 flat angles C4'-P-C4' energy: -129.794 flat angles P-C4'-P energy: -94.246 tors. eta vs tors. theta energy: -149.092 Dist. restrs. and SS energy: 0.000 (S_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: 339 Temperature: 0.900000 Total energy: -2679.586978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.586978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.586978 (E_RNA) where: Base-Base interactions energy: -1911.932 where: short stacking energy: -755.299 Base-Backbone interact. energy: -2.066 local terms energy: -765.589098 where: bonds (distance) C4'-P energy: -117.063 bonds (distance) P-C4' energy: -146.820 flat angles C4'-P-C4' energy: -164.861 flat angles P-C4'-P energy: -113.364 tors. eta vs tors. theta energy: -223.481 Dist. restrs. and SS energy: 0.000 (S_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: 339 Temperature: 0.950000 Total energy: -2676.321567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.321567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.321567 (E_RNA) where: Base-Base interactions energy: -1915.376 where: short stacking energy: -757.374 Base-Backbone interact. energy: -4.053 local terms energy: -756.892382 where: bonds (distance) C4'-P energy: -118.933 bonds (distance) P-C4' energy: -140.982 flat angles C4'-P-C4' energy: -162.950 flat angles P-C4'-P energy: -109.614 tors. eta vs tors. theta energy: -224.413 Dist. restrs. and SS energy: 0.000 (S_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: 339 Temperature: 1.000000 Total energy: -2661.803499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.803499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.803499 (E_RNA) where: Base-Base interactions energy: -1904.844 where: short stacking energy: -748.926 Base-Backbone interact. energy: -3.184 local terms energy: -753.775662 where: bonds (distance) C4'-P energy: -112.279 bonds (distance) P-C4' energy: -141.358 flat angles C4'-P-C4' energy: -167.015 flat angles P-C4'-P energy: -114.367 tors. eta vs tors. theta energy: -218.757 Dist. restrs. and SS energy: 0.000 (S_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: 339 Temperature: 1.050000 Total energy: -2545.849509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.849509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.849509 (E_RNA) where: Base-Base interactions energy: -1820.207 where: short stacking energy: -734.059 Base-Backbone interact. energy: -1.986 local terms energy: -723.656321 where: bonds (distance) C4'-P energy: -109.298 bonds (distance) P-C4' energy: -136.399 flat angles C4'-P-C4' energy: -154.632 flat angles P-C4'-P energy: -101.558 tors. eta vs tors. theta energy: -221.770 Dist. restrs. and SS energy: 0.000 (S_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: 339 Temperature: 1.100000 Total energy: -2485.371692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.371692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.371692 (E_RNA) where: Base-Base interactions energy: -1771.903 where: short stacking energy: -717.699 Base-Backbone interact. energy: -2.055 local terms energy: -711.413354 where: bonds (distance) C4'-P energy: -103.727 bonds (distance) P-C4' energy: -135.264 flat angles C4'-P-C4' energy: -152.466 flat angles P-C4'-P energy: -107.282 tors. eta vs tors. theta energy: -212.675 Dist. restrs. and SS energy: 0.000 (S_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: 339 Temperature: 1.150000 Total energy: -2486.805037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.805037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.805037 (E_RNA) where: Base-Base interactions energy: -1764.946 where: short stacking energy: -714.242 Base-Backbone interact. energy: -2.912 local terms energy: -718.947310 where: bonds (distance) C4'-P energy: -111.395 bonds (distance) P-C4' energy: -135.904 flat angles C4'-P-C4' energy: -147.723 flat angles P-C4'-P energy: -105.445 tors. eta vs tors. theta energy: -218.481 Dist. restrs. and SS energy: 0.000 (S_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: 339 Temperature: 1.200000 Total energy: -2390.045501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.045501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.045501 (E_RNA) where: Base-Base interactions energy: -1675.551 where: short stacking energy: -681.444 Base-Backbone interact. energy: -2.147 local terms energy: -712.347626 where: bonds (distance) C4'-P energy: -104.515 bonds (distance) P-C4' energy: -148.660 flat angles C4'-P-C4' energy: -158.192 flat angles P-C4'-P energy: -100.340 tors. eta vs tors. theta energy: -200.641 Dist. restrs. and SS energy: 0.000 (S_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: 339 Temperature: 1.250000 Total energy: -2285.019102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.019102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.019102 (E_RNA) where: Base-Base interactions energy: -1586.013 where: short stacking energy: -651.693 Base-Backbone interact. energy: -0.120 local terms energy: -698.886090 where: bonds (distance) C4'-P energy: -114.444 bonds (distance) P-C4' energy: -142.671 flat angles C4'-P-C4' energy: -151.846 flat angles P-C4'-P energy: -95.594 tors. eta vs tors. theta energy: -194.331 Dist. restrs. and SS energy: 0.000 (S_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: 339 Temperature: 1.300000 Total energy: -2254.121258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.121258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.121258 (E_RNA) where: Base-Base interactions energy: -1587.132 where: short stacking energy: -648.094 Base-Backbone interact. energy: -0.421 local terms energy: -666.567703 where: bonds (distance) C4'-P energy: -112.814 bonds (distance) P-C4' energy: -129.268 flat angles C4'-P-C4' energy: -136.774 flat angles P-C4'-P energy: -96.017 tors. eta vs tors. theta energy: -191.696 Dist. restrs. and SS energy: 0.000 (S_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: 339 Temperature: 1.350000 Total energy: -2010.421842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.421842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.421842 (E_RNA) where: Base-Base interactions energy: -1396.729 where: short stacking energy: -593.962 Base-Backbone interact. energy: -0.072 local terms energy: -613.620337 where: bonds (distance) C4'-P energy: -97.125 bonds (distance) P-C4' energy: -119.379 flat angles C4'-P-C4' energy: -149.111 flat angles P-C4'-P energy: -92.157 tors. eta vs tors. theta energy: -155.848 Dist. restrs. and SS energy: 0.000 (S_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: 340 Temperature: 0.900000 Total energy: -2708.031061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.031061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.031061 (E_RNA) where: Base-Base interactions energy: -1935.405 where: short stacking energy: -765.805 Base-Backbone interact. energy: -2.114 local terms energy: -770.511728 where: bonds (distance) C4'-P energy: -108.768 bonds (distance) P-C4' energy: -155.242 flat angles C4'-P-C4' energy: -163.402 flat angles P-C4'-P energy: -118.600 tors. eta vs tors. theta energy: -224.500 Dist. restrs. and SS energy: 0.000 (S_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: 340 Temperature: 0.950000 Total energy: -2672.994690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.994690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.994690 (E_RNA) where: Base-Base interactions energy: -1903.407 where: short stacking energy: -755.881 Base-Backbone interact. energy: -3.116 local terms energy: -766.472104 where: bonds (distance) C4'-P energy: -115.171 bonds (distance) P-C4' energy: -146.692 flat angles C4'-P-C4' energy: -167.610 flat angles P-C4'-P energy: -108.163 tors. eta vs tors. theta energy: -228.836 Dist. restrs. and SS energy: 0.000 (S_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: -2649.587564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.587564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.587564 (E_RNA) where: Base-Base interactions energy: -1894.688 where: short stacking energy: -757.680 Base-Backbone interact. energy: -4.992 local terms energy: -749.908342 where: bonds (distance) C4'-P energy: -110.483 bonds (distance) P-C4' energy: -137.987 flat angles C4'-P-C4' energy: -160.591 flat angles P-C4'-P energy: -116.294 tors. eta vs tors. theta energy: -224.554 Dist. restrs. and SS energy: 0.000 (S_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: 340 Temperature: 1.050000 Total energy: -2539.221731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.221731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.221731 (E_RNA) where: Base-Base interactions energy: -1815.648 where: short stacking energy: -733.796 Base-Backbone interact. energy: -0.821 local terms energy: -722.752576 where: bonds (distance) C4'-P energy: -110.112 bonds (distance) P-C4' energy: -136.963 flat angles C4'-P-C4' energy: -153.302 flat angles P-C4'-P energy: -98.836 tors. eta vs tors. theta energy: -223.540 Dist. restrs. and SS energy: 0.000 (S_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: 340 Temperature: 1.100000 Total energy: -2476.015292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.015292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.015292 (E_RNA) where: Base-Base interactions energy: -1751.907 where: short stacking energy: -715.773 Base-Backbone interact. energy: -1.182 local terms energy: -722.926868 where: bonds (distance) C4'-P energy: -125.730 bonds (distance) P-C4' energy: -129.434 flat angles C4'-P-C4' energy: -153.052 flat angles P-C4'-P energy: -104.860 tors. eta vs tors. theta energy: -209.851 Dist. restrs. and SS energy: 0.000 (S_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: 340 Temperature: 1.150000 Total energy: -2501.828372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.828372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.828372 (E_RNA) where: Base-Base interactions energy: -1779.392 where: short stacking energy: -704.077 Base-Backbone interact. energy: -0.144 local terms energy: -722.292588 where: bonds (distance) C4'-P energy: -111.952 bonds (distance) P-C4' energy: -143.812 flat angles C4'-P-C4' energy: -140.067 flat angles P-C4'-P energy: -106.660 tors. eta vs tors. theta energy: -219.801 Dist. restrs. and SS energy: 0.000 (S_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: 340 Temperature: 1.200000 Total energy: -2371.931701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.931701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.931701 (E_RNA) where: Base-Base interactions energy: -1673.781 where: short stacking energy: -693.278 Base-Backbone interact. energy: -1.571 local terms energy: -696.579869 where: bonds (distance) C4'-P energy: -117.275 bonds (distance) P-C4' energy: -138.454 flat angles C4'-P-C4' energy: -142.147 flat angles P-C4'-P energy: -100.703 tors. eta vs tors. theta energy: -198.001 Dist. restrs. and SS energy: 0.000 (S_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: 340 Temperature: 1.250000 Total energy: -2239.165315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.165315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.165315 (E_RNA) where: Base-Base interactions energy: -1548.618 where: short stacking energy: -625.997 Base-Backbone interact. energy: -0.413 local terms energy: -690.134492 where: bonds (distance) C4'-P energy: -114.033 bonds (distance) P-C4' energy: -146.762 flat angles C4'-P-C4' energy: -139.088 flat angles P-C4'-P energy: -105.467 tors. eta vs tors. theta energy: -184.785 Dist. restrs. and SS energy: 0.000 (S_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: 340 Temperature: 1.300000 Total energy: -2265.853829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.853829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.853829 (E_RNA) where: Base-Base interactions energy: -1590.591 where: short stacking energy: -658.294 Base-Backbone interact. energy: -1.396 local terms energy: -673.867055 where: bonds (distance) C4'-P energy: -98.020 bonds (distance) P-C4' energy: -138.020 flat angles C4'-P-C4' energy: -148.136 flat angles P-C4'-P energy: -101.535 tors. eta vs tors. theta energy: -188.156 Dist. restrs. and SS energy: 0.000 (S_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: -1998.474833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.474833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.474833 (E_RNA) where: Base-Base interactions energy: -1374.447 where: short stacking energy: -572.268 Base-Backbone interact. energy: 2.753 local terms energy: -626.780815 where: bonds (distance) C4'-P energy: -116.075 bonds (distance) P-C4' energy: -134.253 flat angles C4'-P-C4' energy: -120.589 flat angles P-C4'-P energy: -102.238 tors. eta vs tors. theta energy: -153.625 Dist. restrs. and SS energy: 0.000 (S_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: 341 Temperature: 0.900000 Total energy: -2685.793622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.793622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.793622 (E_RNA) where: Base-Base interactions energy: -1914.830 where: short stacking energy: -754.530 Base-Backbone interact. energy: -3.130 local terms energy: -767.833850 where: bonds (distance) C4'-P energy: -126.475 bonds (distance) P-C4' energy: -149.649 flat angles C4'-P-C4' energy: -156.782 flat angles P-C4'-P energy: -114.637 tors. eta vs tors. theta energy: -220.291 Dist. restrs. and SS energy: 0.000 (S_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: 341 Temperature: 0.950000 Total energy: -2684.904354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.904354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.904354 (E_RNA) where: Base-Base interactions energy: -1915.422 where: short stacking energy: -767.383 Base-Backbone interact. energy: -3.987 local terms energy: -765.495562 where: bonds (distance) C4'-P energy: -129.252 bonds (distance) P-C4' energy: -148.412 flat angles C4'-P-C4' energy: -157.481 flat angles P-C4'-P energy: -106.259 tors. eta vs tors. theta energy: -224.092 Dist. restrs. and SS energy: 0.000 (S_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: 341 Temperature: 1.000000 Total energy: -2639.188312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.188312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.188312 (E_RNA) where: Base-Base interactions energy: -1881.662 where: short stacking energy: -747.527 Base-Backbone interact. energy: -5.293 local terms energy: -752.234199 where: bonds (distance) C4'-P energy: -121.798 bonds (distance) P-C4' energy: -136.590 flat angles C4'-P-C4' energy: -159.426 flat angles P-C4'-P energy: -110.286 tors. eta vs tors. theta energy: -224.135 Dist. restrs. and SS energy: 0.000 (S_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: 341 Temperature: 1.050000 Total energy: -2553.189667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.189667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.189667 (E_RNA) where: Base-Base interactions energy: -1791.299 where: short stacking energy: -726.341 Base-Backbone interact. energy: -1.978 local terms energy: -759.912916 where: bonds (distance) C4'-P energy: -114.778 bonds (distance) P-C4' energy: -151.606 flat angles C4'-P-C4' energy: -157.220 flat angles P-C4'-P energy: -115.816 tors. eta vs tors. theta energy: -220.493 Dist. restrs. and SS energy: 0.000 (S_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: 341 Temperature: 1.100000 Total energy: -2498.234120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.234120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.234120 (E_RNA) where: Base-Base interactions energy: -1752.443 where: short stacking energy: -733.007 Base-Backbone interact. energy: -1.286 local terms energy: -744.504249 where: bonds (distance) C4'-P energy: -106.271 bonds (distance) P-C4' energy: -145.763 flat angles C4'-P-C4' energy: -156.595 flat angles P-C4'-P energy: -115.105 tors. eta vs tors. theta energy: -220.771 Dist. restrs. and SS energy: 0.000 (S_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: 341 Temperature: 1.150000 Total energy: -2493.748931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.748931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.748931 (E_RNA) where: Base-Base interactions energy: -1773.245 where: short stacking energy: -725.649 Base-Backbone interact. energy: -0.460 local terms energy: -720.043671 where: bonds (distance) C4'-P energy: -109.070 bonds (distance) P-C4' energy: -144.748 flat angles C4'-P-C4' energy: -146.166 flat angles P-C4'-P energy: -98.680 tors. eta vs tors. theta energy: -221.379 Dist. restrs. and SS energy: 0.000 (S_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: -2371.292466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.292466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.292466 (E_RNA) where: Base-Base interactions energy: -1682.790 where: short stacking energy: -670.352 Base-Backbone interact. energy: -2.090 local terms energy: -686.413111 where: bonds (distance) C4'-P energy: -104.427 bonds (distance) P-C4' energy: -132.731 flat angles C4'-P-C4' energy: -145.206 flat angles P-C4'-P energy: -102.023 tors. eta vs tors. theta energy: -202.027 Dist. restrs. and SS energy: 0.000 (S_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: 341 Temperature: 1.250000 Total energy: -2274.779546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.779546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.779546 (E_RNA) where: Base-Base interactions energy: -1600.021 where: short stacking energy: -655.304 Base-Backbone interact. energy: -1.516 local terms energy: -673.242224 where: bonds (distance) C4'-P energy: -111.771 bonds (distance) P-C4' energy: -129.227 flat angles C4'-P-C4' energy: -140.280 flat angles P-C4'-P energy: -100.779 tors. eta vs tors. theta energy: -191.184 Dist. restrs. and SS energy: 0.000 (S_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: 341 Temperature: 1.300000 Total energy: -2168.690736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.690736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.690736 (E_RNA) where: Base-Base interactions energy: -1537.315 where: short stacking energy: -626.023 Base-Backbone interact. energy: -2.642 local terms energy: -628.734316 where: bonds (distance) C4'-P energy: -107.773 bonds (distance) P-C4' energy: -134.005 flat angles C4'-P-C4' energy: -134.045 flat angles P-C4'-P energy: -86.327 tors. eta vs tors. theta energy: -166.583 Dist. restrs. and SS energy: 0.000 (S_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: -2000.100534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.100534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.100534 (E_RNA) where: Base-Base interactions energy: -1382.757 where: short stacking energy: -568.258 Base-Backbone interact. energy: 3.768 local terms energy: -621.111893 where: bonds (distance) C4'-P energy: -115.127 bonds (distance) P-C4' energy: -141.253 flat angles C4'-P-C4' energy: -122.781 flat angles P-C4'-P energy: -88.958 tors. eta vs tors. theta energy: -152.993 Dist. restrs. and SS energy: 0.000 (S_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: 342 Temperature: 0.900000 Total energy: -2695.920551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.920551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.920551 (E_RNA) where: Base-Base interactions energy: -1912.728 where: short stacking energy: -769.453 Base-Backbone interact. energy: -3.826 local terms energy: -779.367287 where: bonds (distance) C4'-P energy: -117.277 bonds (distance) P-C4' energy: -160.286 flat angles C4'-P-C4' energy: -161.957 flat angles P-C4'-P energy: -109.148 tors. eta vs tors. theta energy: -230.699 Dist. restrs. and SS energy: 0.000 (S_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: 342 Temperature: 0.950000 Total energy: -2679.200638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.200638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.200638 (E_RNA) where: Base-Base interactions energy: -1921.363 where: short stacking energy: -745.406 Base-Backbone interact. energy: -1.922 local terms energy: -755.916194 where: bonds (distance) C4'-P energy: -123.303 bonds (distance) P-C4' energy: -153.771 flat angles C4'-P-C4' energy: -155.880 flat angles P-C4'-P energy: -104.641 tors. eta vs tors. theta energy: -218.321 Dist. restrs. and SS energy: 0.000 (S_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: 342 Temperature: 1.000000 Total energy: -2626.820589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.820589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.820589 (E_RNA) where: Base-Base interactions energy: -1883.536 where: short stacking energy: -753.100 Base-Backbone interact. energy: -2.566 local terms energy: -740.718755 where: bonds (distance) C4'-P energy: -107.511 bonds (distance) P-C4' energy: -151.611 flat angles C4'-P-C4' energy: -153.893 flat angles P-C4'-P energy: -110.836 tors. eta vs tors. theta energy: -216.868 Dist. restrs. and SS energy: 0.000 (S_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: 342 Temperature: 1.050000 Total energy: -2532.836608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.836608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.836608 (E_RNA) where: Base-Base interactions energy: -1784.986 where: short stacking energy: -730.959 Base-Backbone interact. energy: -1.883 local terms energy: -745.967184 where: bonds (distance) C4'-P energy: -113.029 bonds (distance) P-C4' energy: -148.900 flat angles C4'-P-C4' energy: -159.347 flat angles P-C4'-P energy: -104.693 tors. eta vs tors. theta energy: -219.999 Dist. restrs. and SS energy: 0.000 (S_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: 342 Temperature: 1.100000 Total energy: -2524.768758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.768758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.768758 (E_RNA) where: Base-Base interactions energy: -1791.289 where: short stacking energy: -723.412 Base-Backbone interact. energy: -2.341 local terms energy: -731.139016 where: bonds (distance) C4'-P energy: -121.733 bonds (distance) P-C4' energy: -138.992 flat angles C4'-P-C4' energy: -147.513 flat angles P-C4'-P energy: -101.097 tors. eta vs tors. theta energy: -221.804 Dist. restrs. and SS energy: 0.000 (S_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: 342 Temperature: 1.150000 Total energy: -2489.836411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.836411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.836411 (E_RNA) where: Base-Base interactions energy: -1768.596 where: short stacking energy: -717.683 Base-Backbone interact. energy: -0.681 local terms energy: -720.559242 where: bonds (distance) C4'-P energy: -122.655 bonds (distance) P-C4' energy: -133.228 flat angles C4'-P-C4' energy: -141.128 flat angles P-C4'-P energy: -107.421 tors. eta vs tors. theta energy: -216.128 Dist. restrs. and SS energy: 0.000 (S_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: 342 Temperature: 1.200000 Total energy: -2372.037917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.037917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.037917 (E_RNA) where: Base-Base interactions energy: -1664.096 where: short stacking energy: -670.483 Base-Backbone interact. energy: -2.565 local terms energy: -705.376870 where: bonds (distance) C4'-P energy: -116.185 bonds (distance) P-C4' energy: -148.053 flat angles C4'-P-C4' energy: -148.378 flat angles P-C4'-P energy: -99.075 tors. eta vs tors. theta energy: -193.686 Dist. restrs. and SS energy: 0.000 (S_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: 342 Temperature: 1.250000 Total energy: -2280.204627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.204627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.204627 (E_RNA) where: Base-Base interactions energy: -1605.198 where: short stacking energy: -661.036 Base-Backbone interact. energy: -0.501 local terms energy: -674.505990 where: bonds (distance) C4'-P energy: -112.262 bonds (distance) P-C4' energy: -122.588 flat angles C4'-P-C4' energy: -145.357 flat angles P-C4'-P energy: -103.857 tors. eta vs tors. theta energy: -190.440 Dist. restrs. and SS energy: 0.000 (S_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: 342 Temperature: 1.300000 Total energy: -2214.720998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.720998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.720998 (E_RNA) where: Base-Base interactions energy: -1557.595 where: short stacking energy: -642.039 Base-Backbone interact. energy: -0.405 local terms energy: -656.721639 where: bonds (distance) C4'-P energy: -109.331 bonds (distance) P-C4' energy: -131.302 flat angles C4'-P-C4' energy: -145.178 flat angles P-C4'-P energy: -87.215 tors. eta vs tors. theta energy: -183.695 Dist. restrs. and SS energy: 0.000 (S_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: 342 Temperature: 1.350000 Total energy: -1982.806885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.806885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.806885 (E_RNA) where: Base-Base interactions energy: -1397.883 where: short stacking energy: -578.940 Base-Backbone interact. energy: 0.445 local terms energy: -585.369692 where: bonds (distance) C4'-P energy: -86.604 bonds (distance) P-C4' energy: -123.430 flat angles C4'-P-C4' energy: -142.278 flat angles P-C4'-P energy: -84.483 tors. eta vs tors. theta energy: -148.575 Dist. restrs. and SS energy: 0.000 (S_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: 343 Temperature: 0.900000 Total energy: -2696.836445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.836445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.836445 (E_RNA) where: Base-Base interactions energy: -1914.867 where: short stacking energy: -768.134 Base-Backbone interact. energy: -2.362 local terms energy: -779.606934 where: bonds (distance) C4'-P energy: -129.460 bonds (distance) P-C4' energy: -147.444 flat angles C4'-P-C4' energy: -162.678 flat angles P-C4'-P energy: -109.680 tors. eta vs tors. theta energy: -230.345 Dist. restrs. and SS energy: 0.000 (S_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: 343 Temperature: 0.950000 Total energy: -2668.530057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.530057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.530057 (E_RNA) where: Base-Base interactions energy: -1908.097 where: short stacking energy: -766.470 Base-Backbone interact. energy: -1.414 local terms energy: -759.019137 where: bonds (distance) C4'-P energy: -117.687 bonds (distance) P-C4' energy: -152.589 flat angles C4'-P-C4' energy: -151.394 flat angles P-C4'-P energy: -111.514 tors. eta vs tors. theta energy: -225.835 Dist. restrs. and SS energy: 0.000 (S_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: 343 Temperature: 1.000000 Total energy: -2638.970631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.970631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.970631 (E_RNA) where: Base-Base interactions energy: -1885.330 where: short stacking energy: -749.474 Base-Backbone interact. energy: -2.166 local terms energy: -751.474436 where: bonds (distance) C4'-P energy: -114.543 bonds (distance) P-C4' energy: -147.937 flat angles C4'-P-C4' energy: -160.162 flat angles P-C4'-P energy: -107.213 tors. eta vs tors. theta energy: -221.620 Dist. restrs. and SS energy: 0.000 (S_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: 343 Temperature: 1.050000 Total energy: -2559.205150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.205150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.205150 (E_RNA) where: Base-Base interactions energy: -1817.262 where: short stacking energy: -727.853 Base-Backbone interact. energy: -1.535 local terms energy: -740.408341 where: bonds (distance) C4'-P energy: -103.657 bonds (distance) P-C4' energy: -154.191 flat angles C4'-P-C4' energy: -157.190 flat angles P-C4'-P energy: -101.939 tors. eta vs tors. theta energy: -223.431 Dist. restrs. and SS energy: 0.000 (S_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: 343 Temperature: 1.100000 Total energy: -2537.097765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.097765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.097765 (E_RNA) where: Base-Base interactions energy: -1802.262 where: short stacking energy: -731.799 Base-Backbone interact. energy: -1.726 local terms energy: -733.109920 where: bonds (distance) C4'-P energy: -106.925 bonds (distance) P-C4' energy: -150.560 flat angles C4'-P-C4' energy: -157.980 flat angles P-C4'-P energy: -100.968 tors. eta vs tors. theta energy: -216.678 Dist. restrs. and SS energy: 0.000 (S_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: 343 Temperature: 1.150000 Total energy: -2433.555618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.555618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.555618 (E_RNA) where: Base-Base interactions energy: -1717.030 where: short stacking energy: -705.755 Base-Backbone interact. energy: -2.365 local terms energy: -714.160213 where: bonds (distance) C4'-P energy: -120.665 bonds (distance) P-C4' energy: -136.572 flat angles C4'-P-C4' energy: -151.675 flat angles P-C4'-P energy: -99.587 tors. eta vs tors. theta energy: -205.661 Dist. restrs. and SS energy: 0.000 (S_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: 343 Temperature: 1.200000 Total energy: -2428.722242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.722242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.722242 (E_RNA) where: Base-Base interactions energy: -1727.001 where: short stacking energy: -690.875 Base-Backbone interact. energy: -1.175 local terms energy: -700.545414 where: bonds (distance) C4'-P energy: -102.943 bonds (distance) P-C4' energy: -143.989 flat angles C4'-P-C4' energy: -151.340 flat angles P-C4'-P energy: -103.545 tors. eta vs tors. theta energy: -198.729 Dist. restrs. and SS energy: 0.000 (S_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: 343 Temperature: 1.250000 Total energy: -2321.020278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.020278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.020278 (E_RNA) where: Base-Base interactions energy: -1641.382 where: short stacking energy: -672.003 Base-Backbone interact. energy: -2.143 local terms energy: -677.495215 where: bonds (distance) C4'-P energy: -105.637 bonds (distance) P-C4' energy: -143.000 flat angles C4'-P-C4' energy: -147.790 flat angles P-C4'-P energy: -91.558 tors. eta vs tors. theta energy: -189.511 Dist. restrs. and SS energy: 0.000 (S_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: 343 Temperature: 1.300000 Total energy: -2195.602312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.602312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.602312 (E_RNA) where: Base-Base interactions energy: -1541.986 where: short stacking energy: -617.231 Base-Backbone interact. energy: -1.961 local terms energy: -651.655323 where: bonds (distance) C4'-P energy: -93.789 bonds (distance) P-C4' energy: -140.307 flat angles C4'-P-C4' energy: -140.854 flat angles P-C4'-P energy: -99.184 tors. eta vs tors. theta energy: -177.521 Dist. restrs. and SS energy: 0.000 (S_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: 343 Temperature: 1.350000 Total energy: -1991.587671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.587671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.587671 (E_RNA) where: Base-Base interactions energy: -1380.472 where: short stacking energy: -572.072 Base-Backbone interact. energy: -2.418 local terms energy: -608.697819 where: bonds (distance) C4'-P energy: -89.977 bonds (distance) P-C4' energy: -142.864 flat angles C4'-P-C4' energy: -133.110 flat angles P-C4'-P energy: -91.321 tors. eta vs tors. theta energy: -151.427 Dist. restrs. and SS energy: 0.000 (S_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: 344 Temperature: 0.900000 Total energy: -2705.982583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.982583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.982583 (E_RNA) where: Base-Base interactions energy: -1936.965 where: short stacking energy: -762.680 Base-Backbone interact. energy: -2.808 local terms energy: -766.208912 where: bonds (distance) C4'-P energy: -119.059 bonds (distance) P-C4' energy: -162.765 flat angles C4'-P-C4' energy: -154.719 flat angles P-C4'-P energy: -102.338 tors. eta vs tors. theta energy: -227.328 Dist. restrs. and SS energy: 0.000 (S_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: 344 Temperature: 0.950000 Total energy: -2678.264140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.264140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.264140 (E_RNA) where: Base-Base interactions energy: -1889.881 where: short stacking energy: -764.935 Base-Backbone interact. energy: -1.796 local terms energy: -786.586734 where: bonds (distance) C4'-P energy: -130.627 bonds (distance) P-C4' energy: -154.668 flat angles C4'-P-C4' energy: -159.185 flat angles P-C4'-P energy: -111.222 tors. eta vs tors. theta energy: -230.885 Dist. restrs. and SS energy: 0.000 (S_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: 344 Temperature: 1.000000 Total energy: -2611.765344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.765344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.765344 (E_RNA) where: Base-Base interactions energy: -1842.652 where: short stacking energy: -743.265 Base-Backbone interact. energy: -2.795 local terms energy: -766.317726 where: bonds (distance) C4'-P energy: -118.938 bonds (distance) P-C4' energy: -151.438 flat angles C4'-P-C4' energy: -161.521 flat angles P-C4'-P energy: -111.475 tors. eta vs tors. theta energy: -222.946 Dist. restrs. and SS energy: 0.000 (S_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: 344 Temperature: 1.050000 Total energy: -2600.571030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.571030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.571030 (E_RNA) where: Base-Base interactions energy: -1849.356 where: short stacking energy: -743.802 Base-Backbone interact. energy: -1.875 local terms energy: -749.340073 where: bonds (distance) C4'-P energy: -118.671 bonds (distance) P-C4' energy: -152.358 flat angles C4'-P-C4' energy: -150.019 flat angles P-C4'-P energy: -104.871 tors. eta vs tors. theta energy: -223.421 Dist. restrs. and SS energy: 0.000 (S_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: 344 Temperature: 1.100000 Total energy: -2510.313737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.313737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.313737 (E_RNA) where: Base-Base interactions energy: -1790.426 where: short stacking energy: -744.667 Base-Backbone interact. energy: -1.295 local terms energy: -718.592594 where: bonds (distance) C4'-P energy: -120.799 bonds (distance) P-C4' energy: -140.345 flat angles C4'-P-C4' energy: -142.128 flat angles P-C4'-P energy: -90.820 tors. eta vs tors. theta energy: -224.501 Dist. restrs. and SS energy: 0.000 (S_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: 344 Temperature: 1.150000 Total energy: -2427.244235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.244235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.244235 (E_RNA) where: Base-Base interactions energy: -1708.384 where: short stacking energy: -692.326 Base-Backbone interact. energy: 0.846 local terms energy: -719.706114 where: bonds (distance) C4'-P energy: -109.826 bonds (distance) P-C4' energy: -151.992 flat angles C4'-P-C4' energy: -149.853 flat angles P-C4'-P energy: -102.868 tors. eta vs tors. theta energy: -205.167 Dist. restrs. and SS energy: 0.000 (S_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: 344 Temperature: 1.200000 Total energy: -2432.481259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.481259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.481259 (E_RNA) where: Base-Base interactions energy: -1723.165 where: short stacking energy: -698.381 Base-Backbone interact. energy: 0.604 local terms energy: -709.920549 where: bonds (distance) C4'-P energy: -109.845 bonds (distance) P-C4' energy: -128.686 flat angles C4'-P-C4' energy: -161.275 flat angles P-C4'-P energy: -98.677 tors. eta vs tors. theta energy: -211.437 Dist. restrs. and SS energy: 0.000 (S_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: -2287.251194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.251194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.251194 (E_RNA) where: Base-Base interactions energy: -1618.364 where: short stacking energy: -660.771 Base-Backbone interact. energy: -2.503 local terms energy: -666.383968 where: bonds (distance) C4'-P energy: -100.404 bonds (distance) P-C4' energy: -133.789 flat angles C4'-P-C4' energy: -143.869 flat angles P-C4'-P energy: -99.245 tors. eta vs tors. theta energy: -189.078 Dist. restrs. and SS energy: 0.000 (S_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: 344 Temperature: 1.300000 Total energy: -2191.690822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.690822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.690822 (E_RNA) where: Base-Base interactions energy: -1544.217 where: short stacking energy: -625.232 Base-Backbone interact. energy: -2.020 local terms energy: -645.453462 where: bonds (distance) C4'-P energy: -99.739 bonds (distance) P-C4' energy: -133.264 flat angles C4'-P-C4' energy: -150.285 flat angles P-C4'-P energy: -86.995 tors. eta vs tors. theta energy: -175.170 Dist. restrs. and SS energy: 0.000 (S_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: 344 Temperature: 1.350000 Total energy: -1986.022432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.022432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.022432 (E_RNA) where: Base-Base interactions energy: -1356.767 where: short stacking energy: -569.189 Base-Backbone interact. energy: 2.565 local terms energy: -631.820728 where: bonds (distance) C4'-P energy: -102.678 bonds (distance) P-C4' energy: -135.963 flat angles C4'-P-C4' energy: -137.575 flat angles P-C4'-P energy: -95.082 tors. eta vs tors. theta energy: -160.523 Dist. restrs. and SS energy: 0.000 (S_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: 345 Temperature: 0.900000 Total energy: -2703.332713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.332713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.332713 (E_RNA) where: Base-Base interactions energy: -1921.656 where: short stacking energy: -765.328 Base-Backbone interact. energy: -2.561 local terms energy: -779.115639 where: bonds (distance) C4'-P energy: -125.350 bonds (distance) P-C4' energy: -149.226 flat angles C4'-P-C4' energy: -162.599 flat angles P-C4'-P energy: -118.046 tors. eta vs tors. theta energy: -223.895 Dist. restrs. and SS energy: 0.000 (S_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: 345 Temperature: 0.950000 Total energy: -2615.122891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.122891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.122891 (E_RNA) where: Base-Base interactions energy: -1851.322 where: short stacking energy: -740.190 Base-Backbone interact. energy: -2.590 local terms energy: -761.210805 where: bonds (distance) C4'-P energy: -118.264 bonds (distance) P-C4' energy: -147.273 flat angles C4'-P-C4' energy: -158.236 flat angles P-C4'-P energy: -117.977 tors. eta vs tors. theta energy: -219.460 Dist. restrs. and SS energy: 0.000 (S_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: 345 Temperature: 1.000000 Total energy: -2658.427851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.427851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.427851 (E_RNA) where: Base-Base interactions energy: -1895.340 where: short stacking energy: -762.265 Base-Backbone interact. energy: -2.394 local terms energy: -760.693875 where: bonds (distance) C4'-P energy: -118.038 bonds (distance) P-C4' energy: -139.819 flat angles C4'-P-C4' energy: -163.538 flat angles P-C4'-P energy: -105.169 tors. eta vs tors. theta energy: -234.131 Dist. restrs. and SS energy: 0.000 (S_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: 345 Temperature: 1.050000 Total energy: -2606.815917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.815917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.815917 (E_RNA) where: Base-Base interactions energy: -1861.785 where: short stacking energy: -739.340 Base-Backbone interact. energy: -1.560 local terms energy: -743.470625 where: bonds (distance) C4'-P energy: -118.139 bonds (distance) P-C4' energy: -146.301 flat angles C4'-P-C4' energy: -148.937 flat angles P-C4'-P energy: -110.358 tors. eta vs tors. theta energy: -219.736 Dist. restrs. and SS energy: 0.000 (S_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: -2511.920924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.920924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.920924 (E_RNA) where: Base-Base interactions energy: -1801.789 where: short stacking energy: -731.826 Base-Backbone interact. energy: -2.725 local terms energy: -707.407026 where: bonds (distance) C4'-P energy: -92.354 bonds (distance) P-C4' energy: -147.299 flat angles C4'-P-C4' energy: -151.574 flat angles P-C4'-P energy: -100.783 tors. eta vs tors. theta energy: -215.398 Dist. restrs. and SS energy: 0.000 (S_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: 345 Temperature: 1.150000 Total energy: -2438.923795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.923795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.923795 (E_RNA) where: Base-Base interactions energy: -1710.755 where: short stacking energy: -692.089 Base-Backbone interact. energy: -0.997 local terms energy: -727.171232 where: bonds (distance) C4'-P energy: -110.689 bonds (distance) P-C4' energy: -140.098 flat angles C4'-P-C4' energy: -155.483 flat angles P-C4'-P energy: -109.586 tors. eta vs tors. theta energy: -211.315 Dist. restrs. and SS energy: 0.000 (S_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: -2403.119172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.119172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.119172 (E_RNA) where: Base-Base interactions energy: -1717.642 where: short stacking energy: -688.764 Base-Backbone interact. energy: -1.668 local terms energy: -683.809254 where: bonds (distance) C4'-P energy: -106.513 bonds (distance) P-C4' energy: -135.806 flat angles C4'-P-C4' energy: -148.010 flat angles P-C4'-P energy: -92.088 tors. eta vs tors. theta energy: -201.392 Dist. restrs. and SS energy: 0.000 (S_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: 345 Temperature: 1.250000 Total energy: -2295.790222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.790222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.790222 (E_RNA) where: Base-Base interactions energy: -1590.176 where: short stacking energy: -672.538 Base-Backbone interact. energy: -0.949 local terms energy: -704.664971 where: bonds (distance) C4'-P energy: -112.297 bonds (distance) P-C4' energy: -137.531 flat angles C4'-P-C4' energy: -155.953 flat angles P-C4'-P energy: -102.019 tors. eta vs tors. theta energy: -196.866 Dist. restrs. and SS energy: 0.000 (S_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: 345 Temperature: 1.300000 Total energy: -2166.968793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.968793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.968793 (E_RNA) where: Base-Base interactions energy: -1532.901 where: short stacking energy: -621.443 Base-Backbone interact. energy: -0.355 local terms energy: -633.713015 where: bonds (distance) C4'-P energy: -99.376 bonds (distance) P-C4' energy: -138.664 flat angles C4'-P-C4' energy: -133.637 flat angles P-C4'-P energy: -95.157 tors. eta vs tors. theta energy: -166.880 Dist. restrs. and SS energy: 0.000 (S_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: 345 Temperature: 1.350000 Total energy: -2011.750057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.750057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.750057 (E_RNA) where: Base-Base interactions energy: -1363.570 where: short stacking energy: -568.954 Base-Backbone interact. energy: -0.052 local terms energy: -648.127678 where: bonds (distance) C4'-P energy: -118.198 bonds (distance) P-C4' energy: -131.526 flat angles C4'-P-C4' energy: -144.458 flat angles P-C4'-P energy: -88.136 tors. eta vs tors. theta energy: -165.810 Dist. restrs. and SS energy: 0.000 (S_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: 346 Temperature: 0.900000 Total energy: -2701.426659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.426659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.426659 (E_RNA) where: Base-Base interactions energy: -1924.508 where: short stacking energy: -756.940 Base-Backbone interact. energy: -1.428 local terms energy: -775.490641 where: bonds (distance) C4'-P energy: -120.397 bonds (distance) P-C4' energy: -156.533 flat angles C4'-P-C4' energy: -160.204 flat angles P-C4'-P energy: -113.255 tors. eta vs tors. theta energy: -225.100 Dist. restrs. and SS energy: 0.000 (S_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: 346 Temperature: 0.950000 Total energy: -2632.035802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.035802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.035802 (E_RNA) where: Base-Base interactions energy: -1850.330 where: short stacking energy: -763.756 Base-Backbone interact. energy: -1.000 local terms energy: -780.706357 where: bonds (distance) C4'-P energy: -124.806 bonds (distance) P-C4' energy: -154.889 flat angles C4'-P-C4' energy: -166.309 flat angles P-C4'-P energy: -104.566 tors. eta vs tors. theta energy: -230.136 Dist. restrs. and SS energy: 0.000 (S_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: 346 Temperature: 1.000000 Total energy: -2668.952661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.952661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.952661 (E_RNA) where: Base-Base interactions energy: -1899.167 where: short stacking energy: -741.587 Base-Backbone interact. energy: -3.577 local terms energy: -766.208420 where: bonds (distance) C4'-P energy: -119.261 bonds (distance) P-C4' energy: -145.488 flat angles C4'-P-C4' energy: -158.695 flat angles P-C4'-P energy: -113.596 tors. eta vs tors. theta energy: -229.169 Dist. restrs. and SS energy: 0.000 (S_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: -2614.947506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.947506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.947506 (E_RNA) where: Base-Base interactions energy: -1881.788 where: short stacking energy: -743.266 Base-Backbone interact. energy: -1.616 local terms energy: -731.543583 where: bonds (distance) C4'-P energy: -105.246 bonds (distance) P-C4' energy: -148.440 flat angles C4'-P-C4' energy: -156.254 flat angles P-C4'-P energy: -104.041 tors. eta vs tors. theta energy: -217.562 Dist. restrs. and SS energy: 0.000 (S_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: 346 Temperature: 1.100000 Total energy: -2515.903680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.903680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.903680 (E_RNA) where: Base-Base interactions energy: -1783.303 where: short stacking energy: -734.400 Base-Backbone interact. energy: -2.183 local terms energy: -730.417373 where: bonds (distance) C4'-P energy: -111.793 bonds (distance) P-C4' energy: -129.248 flat angles C4'-P-C4' energy: -156.661 flat angles P-C4'-P energy: -107.077 tors. eta vs tors. theta energy: -225.638 Dist. restrs. and SS energy: 0.000 (S_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: 346 Temperature: 1.150000 Total energy: -2417.232536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.232536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.232536 (E_RNA) where: Base-Base interactions energy: -1713.495 where: short stacking energy: -697.535 Base-Backbone interact. energy: -1.486 local terms energy: -702.251755 where: bonds (distance) C4'-P energy: -111.046 bonds (distance) P-C4' energy: -147.083 flat angles C4'-P-C4' energy: -134.986 flat angles P-C4'-P energy: -103.047 tors. eta vs tors. theta energy: -206.089 Dist. restrs. and SS energy: 0.000 (S_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: 346 Temperature: 1.200000 Total energy: -2411.995466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.995466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.995466 (E_RNA) where: Base-Base interactions energy: -1722.482 where: short stacking energy: -693.790 Base-Backbone interact. energy: -1.642 local terms energy: -687.871411 where: bonds (distance) C4'-P energy: -102.423 bonds (distance) P-C4' energy: -138.663 flat angles C4'-P-C4' energy: -139.266 flat angles P-C4'-P energy: -104.171 tors. eta vs tors. theta energy: -203.348 Dist. restrs. and SS energy: 0.000 (S_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: 346 Temperature: 1.250000 Total energy: -2285.491581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.491581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.491581 (E_RNA) where: Base-Base interactions energy: -1610.991 where: short stacking energy: -681.068 Base-Backbone interact. energy: 0.323 local terms energy: -674.823703 where: bonds (distance) C4'-P energy: -90.385 bonds (distance) P-C4' energy: -138.765 flat angles C4'-P-C4' energy: -144.022 flat angles P-C4'-P energy: -102.404 tors. eta vs tors. theta energy: -199.248 Dist. restrs. and SS energy: 0.000 (S_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: 346 Temperature: 1.300000 Total energy: -2158.329129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.329129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.329129 (E_RNA) where: Base-Base interactions energy: -1528.975 where: short stacking energy: -620.240 Base-Backbone interact. energy: 1.839 local terms energy: -631.193256 where: bonds (distance) C4'-P energy: -100.046 bonds (distance) P-C4' energy: -125.015 flat angles C4'-P-C4' energy: -147.646 flat angles P-C4'-P energy: -82.549 tors. eta vs tors. theta energy: -175.938 Dist. restrs. and SS energy: 0.000 (S_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: 346 Temperature: 1.350000 Total energy: -1960.202698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.202698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.202698 (E_RNA) where: Base-Base interactions energy: -1339.911 where: short stacking energy: -548.841 Base-Backbone interact. energy: -0.253 local terms energy: -620.038975 where: bonds (distance) C4'-P energy: -100.497 bonds (distance) P-C4' energy: -147.966 flat angles C4'-P-C4' energy: -133.162 flat angles P-C4'-P energy: -95.823 tors. eta vs tors. theta energy: -142.590 Dist. restrs. and SS energy: 0.000 (S_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: 347 Temperature: 0.900000 Total energy: -2698.375842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.375842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.375842 (E_RNA) where: Base-Base interactions energy: -1908.111 where: short stacking energy: -747.692 Base-Backbone interact. energy: -2.169 local terms energy: -788.095975 where: bonds (distance) C4'-P energy: -127.360 bonds (distance) P-C4' energy: -156.577 flat angles C4'-P-C4' energy: -159.256 flat angles P-C4'-P energy: -117.634 tors. eta vs tors. theta energy: -227.269 Dist. restrs. and SS energy: 0.000 (S_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: 347 Temperature: 0.950000 Total energy: -2683.801370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.801370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.801370 (E_RNA) where: Base-Base interactions energy: -1916.620 where: short stacking energy: -757.978 Base-Backbone interact. energy: -3.194 local terms energy: -763.987682 where: bonds (distance) C4'-P energy: -120.644 bonds (distance) P-C4' energy: -147.112 flat angles C4'-P-C4' energy: -160.756 flat angles P-C4'-P energy: -110.239 tors. eta vs tors. theta energy: -225.237 Dist. restrs. and SS energy: 0.000 (S_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: 347 Temperature: 1.000000 Total energy: -2588.174736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.174736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.174736 (E_RNA) where: Base-Base interactions energy: -1832.531 where: short stacking energy: -744.278 Base-Backbone interact. energy: -3.925 local terms energy: -751.719488 where: bonds (distance) C4'-P energy: -101.164 bonds (distance) P-C4' energy: -157.843 flat angles C4'-P-C4' energy: -156.581 flat angles P-C4'-P energy: -113.091 tors. eta vs tors. theta energy: -223.041 Dist. restrs. and SS energy: 0.000 (S_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: 347 Temperature: 1.050000 Total energy: -2605.449696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.449696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.449696 (E_RNA) where: Base-Base interactions energy: -1866.552 where: short stacking energy: -736.209 Base-Backbone interact. energy: -1.511 local terms energy: -737.386724 where: bonds (distance) C4'-P energy: -102.466 bonds (distance) P-C4' energy: -147.272 flat angles C4'-P-C4' energy: -154.093 flat angles P-C4'-P energy: -107.598 tors. eta vs tors. theta energy: -225.958 Dist. restrs. and SS energy: 0.000 (S_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: 347 Temperature: 1.100000 Total energy: -2519.704012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.704012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.704012 (E_RNA) where: Base-Base interactions energy: -1787.385 where: short stacking energy: -720.716 Base-Backbone interact. energy: -1.421 local terms energy: -730.897442 where: bonds (distance) C4'-P energy: -106.538 bonds (distance) P-C4' energy: -150.478 flat angles C4'-P-C4' energy: -150.019 flat angles P-C4'-P energy: -108.625 tors. eta vs tors. theta energy: -215.238 Dist. restrs. and SS energy: 0.000 (S_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: 347 Temperature: 1.150000 Total energy: -2445.996809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.996809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.996809 (E_RNA) where: Base-Base interactions energy: -1750.327 where: short stacking energy: -702.494 Base-Backbone interact. energy: -2.738 local terms energy: -692.932202 where: bonds (distance) C4'-P energy: -97.299 bonds (distance) P-C4' energy: -138.808 flat angles C4'-P-C4' energy: -153.951 flat angles P-C4'-P energy: -100.304 tors. eta vs tors. theta energy: -202.570 Dist. restrs. and SS energy: 0.000 (S_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: 347 Temperature: 1.200000 Total energy: -2359.082173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.082173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.082173 (E_RNA) where: Base-Base interactions energy: -1657.293 where: short stacking energy: -673.385 Base-Backbone interact. energy: -1.235 local terms energy: -700.554404 where: bonds (distance) C4'-P energy: -117.175 bonds (distance) P-C4' energy: -142.675 flat angles C4'-P-C4' energy: -146.814 flat angles P-C4'-P energy: -99.028 tors. eta vs tors. theta energy: -194.862 Dist. restrs. and SS energy: 0.000 (S_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: 347 Temperature: 1.250000 Total energy: -2267.483484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.483484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.483484 (E_RNA) where: Base-Base interactions energy: -1601.315 where: short stacking energy: -642.994 Base-Backbone interact. energy: -0.926 local terms energy: -665.242750 where: bonds (distance) C4'-P energy: -111.555 bonds (distance) P-C4' energy: -139.743 flat angles C4'-P-C4' energy: -127.321 flat angles P-C4'-P energy: -97.584 tors. eta vs tors. theta energy: -189.039 Dist. restrs. and SS energy: 0.000 (S_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: 347 Temperature: 1.300000 Total energy: -2189.518726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.518726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.518726 (E_RNA) where: Base-Base interactions energy: -1529.939 where: short stacking energy: -627.241 Base-Backbone interact. energy: -1.603 local terms energy: -657.975911 where: bonds (distance) C4'-P energy: -102.596 bonds (distance) P-C4' energy: -131.592 flat angles C4'-P-C4' energy: -153.494 flat angles P-C4'-P energy: -90.225 tors. eta vs tors. theta energy: -180.068 Dist. restrs. and SS energy: 0.000 (S_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: 347 Temperature: 1.350000 Total energy: -1985.525963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.525963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.525963 (E_RNA) where: Base-Base interactions energy: -1368.113 where: short stacking energy: -554.725 Base-Backbone interact. energy: -1.410 local terms energy: -616.002981 where: bonds (distance) C4'-P energy: -100.299 bonds (distance) P-C4' energy: -143.001 flat angles C4'-P-C4' energy: -142.683 flat angles P-C4'-P energy: -79.022 tors. eta vs tors. theta energy: -150.999 Dist. restrs. and SS energy: 0.000 (S_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: -2688.344890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.344890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.344890 (E_RNA) where: Base-Base interactions energy: -1911.047 where: short stacking energy: -745.404 Base-Backbone interact. energy: -4.091 local terms energy: -773.207055 where: bonds (distance) C4'-P energy: -130.213 bonds (distance) P-C4' energy: -154.731 flat angles C4'-P-C4' energy: -161.957 flat angles P-C4'-P energy: -102.131 tors. eta vs tors. theta energy: -224.175 Dist. restrs. and SS energy: 0.000 (S_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: -2658.392980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.392980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.392980 (E_RNA) where: Base-Base interactions energy: -1891.389 where: short stacking energy: -748.567 Base-Backbone interact. energy: -2.709 local terms energy: -764.294982 where: bonds (distance) C4'-P energy: -122.452 bonds (distance) P-C4' energy: -148.360 flat angles C4'-P-C4' energy: -159.852 flat angles P-C4'-P energy: -109.959 tors. eta vs tors. theta energy: -223.672 Dist. restrs. and SS energy: 0.000 (S_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: 348 Temperature: 1.000000 Total energy: -2652.693856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.693856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.693856 (E_RNA) where: Base-Base interactions energy: -1880.004 where: short stacking energy: -755.051 Base-Backbone interact. energy: -1.321 local terms energy: -771.368968 where: bonds (distance) C4'-P energy: -130.782 bonds (distance) P-C4' energy: -149.510 flat angles C4'-P-C4' energy: -156.754 flat angles P-C4'-P energy: -110.163 tors. eta vs tors. theta energy: -224.160 Dist. restrs. and SS energy: 0.000 (S_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: 348 Temperature: 1.050000 Total energy: -2578.202772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.202772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.202772 (E_RNA) where: Base-Base interactions energy: -1824.673 where: short stacking energy: -739.046 Base-Backbone interact. energy: -1.693 local terms energy: -751.836831 where: bonds (distance) C4'-P energy: -128.000 bonds (distance) P-C4' energy: -144.551 flat angles C4'-P-C4' energy: -151.877 flat angles P-C4'-P energy: -109.208 tors. eta vs tors. theta energy: -218.200 Dist. restrs. and SS energy: 0.000 (S_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: 348 Temperature: 1.100000 Total energy: -2530.489641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.489641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.489641 (E_RNA) where: Base-Base interactions energy: -1783.357 where: short stacking energy: -720.464 Base-Backbone interact. energy: -2.114 local terms energy: -745.018582 where: bonds (distance) C4'-P energy: -118.309 bonds (distance) P-C4' energy: -138.492 flat angles C4'-P-C4' energy: -158.607 flat angles P-C4'-P energy: -107.402 tors. eta vs tors. theta energy: -222.208 Dist. restrs. and SS energy: 0.000 (S_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: 348 Temperature: 1.150000 Total energy: -2428.078739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.078739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.078739 (E_RNA) where: Base-Base interactions energy: -1739.084 where: short stacking energy: -708.470 Base-Backbone interact. energy: -0.996 local terms energy: -687.998742 where: bonds (distance) C4'-P energy: -99.095 bonds (distance) P-C4' energy: -145.840 flat angles C4'-P-C4' energy: -140.793 flat angles P-C4'-P energy: -100.510 tors. eta vs tors. theta energy: -201.761 Dist. restrs. and SS energy: 0.000 (S_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: -2375.863184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.863184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.863184 (E_RNA) where: Base-Base interactions energy: -1677.318 where: short stacking energy: -687.639 Base-Backbone interact. energy: 1.622 local terms energy: -700.166593 where: bonds (distance) C4'-P energy: -112.625 bonds (distance) P-C4' energy: -149.477 flat angles C4'-P-C4' energy: -145.668 flat angles P-C4'-P energy: -100.755 tors. eta vs tors. theta energy: -191.641 Dist. restrs. and SS energy: 0.000 (S_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: 348 Temperature: 1.250000 Total energy: -2253.399435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.399435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.399435 (E_RNA) where: Base-Base interactions energy: -1575.536 where: short stacking energy: -656.697 Base-Backbone interact. energy: -2.140 local terms energy: -675.723478 where: bonds (distance) C4'-P energy: -112.278 bonds (distance) P-C4' energy: -139.828 flat angles C4'-P-C4' energy: -138.712 flat angles P-C4'-P energy: -96.995 tors. eta vs tors. theta energy: -187.910 Dist. restrs. and SS energy: 0.000 (S_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: 348 Temperature: 1.300000 Total energy: -2218.904549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.904549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.904549 (E_RNA) where: Base-Base interactions energy: -1547.006 where: short stacking energy: -621.253 Base-Backbone interact. energy: -3.443 local terms energy: -668.455281 where: bonds (distance) C4'-P energy: -119.233 bonds (distance) P-C4' energy: -148.281 flat angles C4'-P-C4' energy: -138.904 flat angles P-C4'-P energy: -81.788 tors. eta vs tors. theta energy: -180.250 Dist. restrs. and SS energy: 0.000 (S_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: 348 Temperature: 1.350000 Total energy: -1935.079514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.079514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.079514 (E_RNA) where: Base-Base interactions energy: -1291.647 where: short stacking energy: -556.826 Base-Backbone interact. energy: 1.012 local terms energy: -644.443597 where: bonds (distance) C4'-P energy: -98.497 bonds (distance) P-C4' energy: -148.340 flat angles C4'-P-C4' energy: -138.611 flat angles P-C4'-P energy: -106.892 tors. eta vs tors. theta energy: -152.105 Dist. restrs. and SS energy: 0.000 (S_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: -2701.003562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.003562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.003562 (E_RNA) where: Base-Base interactions energy: -1914.768 where: short stacking energy: -759.664 Base-Backbone interact. energy: -1.636 local terms energy: -784.599398 where: bonds (distance) C4'-P energy: -124.909 bonds (distance) P-C4' energy: -162.353 flat angles C4'-P-C4' energy: -160.433 flat angles P-C4'-P energy: -115.999 tors. eta vs tors. theta energy: -220.905 Dist. restrs. and SS energy: 0.000 (S_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: 349 Temperature: 0.950000 Total energy: -2669.279500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.279500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.279500 (E_RNA) where: Base-Base interactions energy: -1911.323 where: short stacking energy: -764.192 Base-Backbone interact. energy: -3.074 local terms energy: -754.882841 where: bonds (distance) C4'-P energy: -114.923 bonds (distance) P-C4' energy: -153.180 flat angles C4'-P-C4' energy: -156.992 flat angles P-C4'-P energy: -102.704 tors. eta vs tors. theta energy: -227.083 Dist. restrs. and SS energy: 0.000 (S_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: 349 Temperature: 1.000000 Total energy: -2637.878499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.878499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.878499 (E_RNA) where: Base-Base interactions energy: -1879.098 where: short stacking energy: -742.772 Base-Backbone interact. energy: -0.676 local terms energy: -758.104676 where: bonds (distance) C4'-P energy: -123.665 bonds (distance) P-C4' energy: -149.176 flat angles C4'-P-C4' energy: -153.747 flat angles P-C4'-P energy: -109.597 tors. eta vs tors. theta energy: -221.919 Dist. restrs. and SS energy: 0.000 (S_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: -2576.622057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.622057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.622057 (E_RNA) where: Base-Base interactions energy: -1811.242 where: short stacking energy: -742.746 Base-Backbone interact. energy: -2.510 local terms energy: -762.870169 where: bonds (distance) C4'-P energy: -129.005 bonds (distance) P-C4' energy: -139.741 flat angles C4'-P-C4' energy: -162.357 flat angles P-C4'-P energy: -110.116 tors. eta vs tors. theta energy: -221.651 Dist. restrs. and SS energy: 0.000 (S_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: 349 Temperature: 1.100000 Total energy: -2508.822737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.822737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.822737 (E_RNA) where: Base-Base interactions energy: -1790.190 where: short stacking energy: -711.207 Base-Backbone interact. energy: -2.421 local terms energy: -716.212453 where: bonds (distance) C4'-P energy: -104.548 bonds (distance) P-C4' energy: -142.138 flat angles C4'-P-C4' energy: -154.901 flat angles P-C4'-P energy: -103.884 tors. eta vs tors. theta energy: -210.742 Dist. restrs. and SS energy: 0.000 (S_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: -2428.448944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.448944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.448944 (E_RNA) where: Base-Base interactions energy: -1679.380 where: short stacking energy: -677.089 Base-Backbone interact. energy: -0.932 local terms energy: -748.137049 where: bonds (distance) C4'-P energy: -121.387 bonds (distance) P-C4' energy: -159.193 flat angles C4'-P-C4' energy: -157.354 flat angles P-C4'-P energy: -109.789 tors. eta vs tors. theta energy: -200.414 Dist. restrs. and SS energy: 0.000 (S_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: 349 Temperature: 1.200000 Total energy: -2404.904206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.904206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.904206 (E_RNA) where: Base-Base interactions energy: -1678.812 where: short stacking energy: -686.051 Base-Backbone interact. energy: -0.854 local terms energy: -725.238217 where: bonds (distance) C4'-P energy: -121.985 bonds (distance) P-C4' energy: -141.041 flat angles C4'-P-C4' energy: -153.880 flat angles P-C4'-P energy: -100.860 tors. eta vs tors. theta energy: -207.472 Dist. restrs. and SS energy: 0.000 (S_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: 349 Temperature: 1.250000 Total energy: -2279.946565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.946565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.946565 (E_RNA) where: Base-Base interactions energy: -1589.266 where: short stacking energy: -661.654 Base-Backbone interact. energy: -1.028 local terms energy: -689.652136 where: bonds (distance) C4'-P energy: -112.848 bonds (distance) P-C4' energy: -133.093 flat angles C4'-P-C4' energy: -147.387 flat angles P-C4'-P energy: -104.154 tors. eta vs tors. theta energy: -192.171 Dist. restrs. and SS energy: 0.000 (S_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: 349 Temperature: 1.300000 Total energy: -2207.331964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.331964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.331964 (E_RNA) where: Base-Base interactions energy: -1544.855 where: short stacking energy: -614.537 Base-Backbone interact. energy: -3.112 local terms energy: -659.365020 where: bonds (distance) C4'-P energy: -109.959 bonds (distance) P-C4' energy: -138.695 flat angles C4'-P-C4' energy: -135.721 flat angles P-C4'-P energy: -99.206 tors. eta vs tors. theta energy: -175.784 Dist. restrs. and SS energy: 0.000 (S_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: 349 Temperature: 1.350000 Total energy: -1925.543392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.543392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.543392 (E_RNA) where: Base-Base interactions energy: -1300.027 where: short stacking energy: -550.393 Base-Backbone interact. energy: -0.835 local terms energy: -624.681566 where: bonds (distance) C4'-P energy: -109.175 bonds (distance) P-C4' energy: -133.249 flat angles C4'-P-C4' energy: -139.535 flat angles P-C4'-P energy: -86.437 tors. eta vs tors. theta energy: -156.286 Dist. restrs. and SS energy: 0.000 (S_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: 350 Temperature: 0.900000 Total energy: -2696.854041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.854041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.854041 (E_RNA) where: Base-Base interactions energy: -1915.022 where: short stacking energy: -765.766 Base-Backbone interact. energy: -4.795 local terms energy: -777.037500 where: bonds (distance) C4'-P energy: -115.094 bonds (distance) P-C4' energy: -152.522 flat angles C4'-P-C4' energy: -164.191 flat angles P-C4'-P energy: -120.242 tors. eta vs tors. theta energy: -224.988 Dist. restrs. and SS energy: 0.000 (S_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: -2652.045412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.045412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.045412 (E_RNA) where: Base-Base interactions energy: -1907.733 where: short stacking energy: -762.755 Base-Backbone interact. energy: -1.388 local terms energy: -742.924670 where: bonds (distance) C4'-P energy: -111.796 bonds (distance) P-C4' energy: -146.029 flat angles C4'-P-C4' energy: -154.690 flat angles P-C4'-P energy: -103.067 tors. eta vs tors. theta energy: -227.343 Dist. restrs. and SS energy: 0.000 (S_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: 350 Temperature: 1.000000 Total energy: -2662.230516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.230516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.230516 (E_RNA) where: Base-Base interactions energy: -1915.915 where: short stacking energy: -756.942 Base-Backbone interact. energy: -0.648 local terms energy: -745.667081 where: bonds (distance) C4'-P energy: -122.151 bonds (distance) P-C4' energy: -139.747 flat angles C4'-P-C4' energy: -149.201 flat angles P-C4'-P energy: -113.386 tors. eta vs tors. theta energy: -221.181 Dist. restrs. and SS energy: 0.000 (S_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: 350 Temperature: 1.050000 Total energy: -2555.027635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.027635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.027635 (E_RNA) where: Base-Base interactions energy: -1814.972 where: short stacking energy: -728.419 Base-Backbone interact. energy: 2.703 local terms energy: -742.758378 where: bonds (distance) C4'-P energy: -113.884 bonds (distance) P-C4' energy: -150.743 flat angles C4'-P-C4' energy: -153.214 flat angles P-C4'-P energy: -101.562 tors. eta vs tors. theta energy: -223.356 Dist. restrs. and SS energy: 0.000 (S_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: 350 Temperature: 1.100000 Total energy: -2481.647463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.647463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.647463 (E_RNA) where: Base-Base interactions energy: -1759.010 where: short stacking energy: -710.125 Base-Backbone interact. energy: -0.639 local terms energy: -721.997588 where: bonds (distance) C4'-P energy: -108.691 bonds (distance) P-C4' energy: -141.359 flat angles C4'-P-C4' energy: -159.381 flat angles P-C4'-P energy: -103.393 tors. eta vs tors. theta energy: -209.174 Dist. restrs. and SS energy: 0.000 (S_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: 350 Temperature: 1.150000 Total energy: -2407.320004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.320004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.320004 (E_RNA) where: Base-Base interactions energy: -1699.512 where: short stacking energy: -698.255 Base-Backbone interact. energy: 1.918 local terms energy: -709.726847 where: bonds (distance) C4'-P energy: -110.966 bonds (distance) P-C4' energy: -140.583 flat angles C4'-P-C4' energy: -155.455 flat angles P-C4'-P energy: -106.343 tors. eta vs tors. theta energy: -196.380 Dist. restrs. and SS energy: 0.000 (S_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: 350 Temperature: 1.200000 Total energy: -2385.282491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.282491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.282491 (E_RNA) where: Base-Base interactions energy: -1675.324 where: short stacking energy: -686.163 Base-Backbone interact. energy: -1.382 local terms energy: -708.576273 where: bonds (distance) C4'-P energy: -111.278 bonds (distance) P-C4' energy: -137.681 flat angles C4'-P-C4' energy: -147.901 flat angles P-C4'-P energy: -101.581 tors. eta vs tors. theta energy: -210.136 Dist. restrs. and SS energy: 0.000 (S_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: 350 Temperature: 1.250000 Total energy: -2271.569924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.569924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.569924 (E_RNA) where: Base-Base interactions energy: -1577.903 where: short stacking energy: -657.273 Base-Backbone interact. energy: -0.863 local terms energy: -692.803662 where: bonds (distance) C4'-P energy: -107.166 bonds (distance) P-C4' energy: -138.405 flat angles C4'-P-C4' energy: -152.400 flat angles P-C4'-P energy: -105.167 tors. eta vs tors. theta energy: -189.665 Dist. restrs. and SS energy: 0.000 (S_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: 350 Temperature: 1.300000 Total energy: -2182.433921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.433921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.433921 (E_RNA) where: Base-Base interactions energy: -1525.002 where: short stacking energy: -614.124 Base-Backbone interact. energy: -1.530 local terms energy: -655.901659 where: bonds (distance) C4'-P energy: -103.961 bonds (distance) P-C4' energy: -148.009 flat angles C4'-P-C4' energy: -136.076 flat angles P-C4'-P energy: -88.346 tors. eta vs tors. theta energy: -179.510 Dist. restrs. and SS energy: 0.000 (S_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: 350 Temperature: 1.350000 Total energy: -1966.107535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.107535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.107535 (E_RNA) where: Base-Base interactions energy: -1342.532 where: short stacking energy: -573.238 Base-Backbone interact. energy: 0.308 local terms energy: -623.883377 where: bonds (distance) C4'-P energy: -105.239 bonds (distance) P-C4' energy: -140.894 flat angles C4'-P-C4' energy: -133.468 flat angles P-C4'-P energy: -87.632 tors. eta vs tors. theta energy: -156.649 Dist. restrs. and SS energy: 0.000 (S_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: 351 Temperature: 0.900000 Total energy: -2697.191753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.191753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.191753 (E_RNA) where: Base-Base interactions energy: -1905.830 where: short stacking energy: -763.885 Base-Backbone interact. energy: -2.492 local terms energy: -788.869240 where: bonds (distance) C4'-P energy: -118.903 bonds (distance) P-C4' energy: -156.289 flat angles C4'-P-C4' energy: -166.963 flat angles P-C4'-P energy: -115.583 tors. eta vs tors. theta energy: -231.131 Dist. restrs. and SS energy: 0.000 (S_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: 351 Temperature: 0.950000 Total energy: -2657.233058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.233058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.233058 (E_RNA) where: Base-Base interactions energy: -1899.492 where: short stacking energy: -758.332 Base-Backbone interact. energy: -0.442 local terms energy: -757.299110 where: bonds (distance) C4'-P energy: -107.981 bonds (distance) P-C4' energy: -153.587 flat angles C4'-P-C4' energy: -156.384 flat angles P-C4'-P energy: -116.028 tors. eta vs tors. theta energy: -223.318 Dist. restrs. and SS energy: 0.000 (S_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: 351 Temperature: 1.000000 Total energy: -2661.752465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.752465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.752465 (E_RNA) where: Base-Base interactions energy: -1896.271 where: short stacking energy: -762.114 Base-Backbone interact. energy: -4.557 local terms energy: -760.924594 where: bonds (distance) C4'-P energy: -125.845 bonds (distance) P-C4' energy: -145.582 flat angles C4'-P-C4' energy: -152.904 flat angles P-C4'-P energy: -111.168 tors. eta vs tors. theta energy: -225.425 Dist. restrs. and SS energy: 0.000 (S_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: 351 Temperature: 1.050000 Total energy: -2534.738891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.738891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.738891 (E_RNA) where: Base-Base interactions energy: -1792.513 where: short stacking energy: -734.733 Base-Backbone interact. energy: -0.570 local terms energy: -741.656253 where: bonds (distance) C4'-P energy: -121.205 bonds (distance) P-C4' energy: -137.567 flat angles C4'-P-C4' energy: -160.794 flat angles P-C4'-P energy: -106.007 tors. eta vs tors. theta energy: -216.084 Dist. restrs. and SS energy: 0.000 (S_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: 351 Temperature: 1.100000 Total energy: -2526.461108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.461108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.461108 (E_RNA) where: Base-Base interactions energy: -1785.750 where: short stacking energy: -694.532 Base-Backbone interact. energy: -3.310 local terms energy: -737.400673 where: bonds (distance) C4'-P energy: -115.599 bonds (distance) P-C4' energy: -144.692 flat angles C4'-P-C4' energy: -156.457 flat angles P-C4'-P energy: -108.125 tors. eta vs tors. theta energy: -212.528 Dist. restrs. and SS energy: 0.000 (S_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: 351 Temperature: 1.150000 Total energy: -2429.364029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.364029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.364029 (E_RNA) where: Base-Base interactions energy: -1702.890 where: short stacking energy: -694.792 Base-Backbone interact. energy: -0.486 local terms energy: -725.988589 where: bonds (distance) C4'-P energy: -112.157 bonds (distance) P-C4' energy: -149.685 flat angles C4'-P-C4' energy: -153.008 flat angles P-C4'-P energy: -101.691 tors. eta vs tors. theta energy: -209.447 Dist. restrs. and SS energy: 0.000 (S_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: 351 Temperature: 1.200000 Total energy: -2409.573482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.573482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.573482 (E_RNA) where: Base-Base interactions energy: -1723.224 where: short stacking energy: -695.916 Base-Backbone interact. energy: -2.396 local terms energy: -683.954016 where: bonds (distance) C4'-P energy: -99.115 bonds (distance) P-C4' energy: -138.381 flat angles C4'-P-C4' energy: -138.972 flat angles P-C4'-P energy: -101.238 tors. eta vs tors. theta energy: -206.248 Dist. restrs. and SS energy: 0.000 (S_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: 351 Temperature: 1.250000 Total energy: -2299.178382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.178382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.178382 (E_RNA) where: Base-Base interactions energy: -1615.998 where: short stacking energy: -654.866 Base-Backbone interact. energy: -1.547 local terms energy: -681.633191 where: bonds (distance) C4'-P energy: -98.683 bonds (distance) P-C4' energy: -153.301 flat angles C4'-P-C4' energy: -142.842 flat angles P-C4'-P energy: -99.093 tors. eta vs tors. theta energy: -187.714 Dist. restrs. and SS energy: 0.000 (S_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: 351 Temperature: 1.300000 Total energy: -2222.266439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.266439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.266439 (E_RNA) where: Base-Base interactions energy: -1555.100 where: short stacking energy: -625.994 Base-Backbone interact. energy: -2.114 local terms energy: -665.052440 where: bonds (distance) C4'-P energy: -115.874 bonds (distance) P-C4' energy: -138.008 flat angles C4'-P-C4' energy: -133.935 flat angles P-C4'-P energy: -95.786 tors. eta vs tors. theta energy: -181.451 Dist. restrs. and SS energy: 0.000 (S_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: 351 Temperature: 1.350000 Total energy: -1932.988815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.988815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.988815 (E_RNA) where: Base-Base interactions energy: -1316.933 where: short stacking energy: -557.468 Base-Backbone interact. energy: -3.466 local terms energy: -612.589877 where: bonds (distance) C4'-P energy: -100.677 bonds (distance) P-C4' energy: -120.943 flat angles C4'-P-C4' energy: -148.856 flat angles P-C4'-P energy: -93.769 tors. eta vs tors. theta energy: -148.345 Dist. restrs. and SS energy: 0.000 (S_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: 352 Temperature: 0.900000 Total energy: -2685.908198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.908198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.908198 (E_RNA) where: Base-Base interactions energy: -1919.797 where: short stacking energy: -758.816 Base-Backbone interact. energy: -2.752 local terms energy: -763.359109 where: bonds (distance) C4'-P energy: -117.272 bonds (distance) P-C4' energy: -156.265 flat angles C4'-P-C4' energy: -158.546 flat angles P-C4'-P energy: -102.713 tors. eta vs tors. theta energy: -228.563 Dist. restrs. and SS energy: 0.000 (S_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: 352 Temperature: 0.950000 Total energy: -2651.749381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.749381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.749381 (E_RNA) where: Base-Base interactions energy: -1886.953 where: short stacking energy: -744.108 Base-Backbone interact. energy: -3.226 local terms energy: -761.570653 where: bonds (distance) C4'-P energy: -126.255 bonds (distance) P-C4' energy: -144.955 flat angles C4'-P-C4' energy: -157.449 flat angles P-C4'-P energy: -115.377 tors. eta vs tors. theta energy: -217.535 Dist. restrs. and SS energy: 0.000 (S_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: 352 Temperature: 1.000000 Total energy: -2650.852899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.852899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.852899 (E_RNA) where: Base-Base interactions energy: -1899.649 where: short stacking energy: -736.830 Base-Backbone interact. energy: -2.296 local terms energy: -748.907849 where: bonds (distance) C4'-P energy: -112.723 bonds (distance) P-C4' energy: -143.057 flat angles C4'-P-C4' energy: -159.567 flat angles P-C4'-P energy: -111.235 tors. eta vs tors. theta energy: -222.326 Dist. restrs. and SS energy: 0.000 (S_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: 352 Temperature: 1.050000 Total energy: -2502.529607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.529607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.529607 (E_RNA) where: Base-Base interactions energy: -1759.961 where: short stacking energy: -705.888 Base-Backbone interact. energy: -0.672 local terms energy: -741.896524 where: bonds (distance) C4'-P energy: -113.772 bonds (distance) P-C4' energy: -144.778 flat angles C4'-P-C4' energy: -161.004 flat angles P-C4'-P energy: -107.258 tors. eta vs tors. theta energy: -215.085 Dist. restrs. and SS energy: 0.000 (S_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: 352 Temperature: 1.100000 Total energy: -2542.290754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.290754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.290754 (E_RNA) where: Base-Base interactions energy: -1785.785 where: short stacking energy: -724.687 Base-Backbone interact. energy: -3.866 local terms energy: -752.639971 where: bonds (distance) C4'-P energy: -122.906 bonds (distance) P-C4' energy: -144.480 flat angles C4'-P-C4' energy: -151.888 flat angles P-C4'-P energy: -110.366 tors. eta vs tors. theta energy: -222.999 Dist. restrs. and SS energy: 0.000 (S_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: 352 Temperature: 1.150000 Total energy: -2455.560963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.560963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.560963 (E_RNA) where: Base-Base interactions energy: -1733.385 where: short stacking energy: -705.712 Base-Backbone interact. energy: -2.013 local terms energy: -720.162028 where: bonds (distance) C4'-P energy: -109.621 bonds (distance) P-C4' energy: -138.569 flat angles C4'-P-C4' energy: -161.223 flat angles P-C4'-P energy: -107.039 tors. eta vs tors. theta energy: -203.710 Dist. restrs. and SS energy: 0.000 (S_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: 352 Temperature: 1.200000 Total energy: -2400.332822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.332822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.332822 (E_RNA) where: Base-Base interactions energy: -1708.264 where: short stacking energy: -690.156 Base-Backbone interact. energy: -1.679 local terms energy: -690.390628 where: bonds (distance) C4'-P energy: -110.074 bonds (distance) P-C4' energy: -140.904 flat angles C4'-P-C4' energy: -151.504 flat angles P-C4'-P energy: -87.565 tors. eta vs tors. theta energy: -200.344 Dist. restrs. and SS energy: 0.000 (S_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: -2276.670964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.670964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.670964 (E_RNA) where: Base-Base interactions energy: -1589.795 where: short stacking energy: -664.661 Base-Backbone interact. energy: -0.807 local terms energy: -686.069412 where: bonds (distance) C4'-P energy: -112.649 bonds (distance) P-C4' energy: -141.483 flat angles C4'-P-C4' energy: -146.426 flat angles P-C4'-P energy: -90.774 tors. eta vs tors. theta energy: -194.738 Dist. restrs. and SS energy: 0.000 (S_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: 352 Temperature: 1.300000 Total energy: -2173.900735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.900735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.900735 (E_RNA) where: Base-Base interactions energy: -1516.525 where: short stacking energy: -628.516 Base-Backbone interact. energy: -0.405 local terms energy: -656.970658 where: bonds (distance) C4'-P energy: -95.612 bonds (distance) P-C4' energy: -138.356 flat angles C4'-P-C4' energy: -145.079 flat angles P-C4'-P energy: -99.549 tors. eta vs tors. theta energy: -178.374 Dist. restrs. and SS energy: 0.000 (S_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: 352 Temperature: 1.350000 Total energy: -1934.768781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.768781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.768781 (E_RNA) where: Base-Base interactions energy: -1320.730 where: short stacking energy: -557.322 Base-Backbone interact. energy: -0.526 local terms energy: -613.512571 where: bonds (distance) C4'-P energy: -111.679 bonds (distance) P-C4' energy: -132.770 flat angles C4'-P-C4' energy: -132.833 flat angles P-C4'-P energy: -84.207 tors. eta vs tors. theta energy: -152.023 Dist. restrs. and SS energy: 0.000 (S_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: 353 Temperature: 0.900000 Total energy: -2689.011406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.011406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.011406 (E_RNA) where: Base-Base interactions energy: -1921.430 where: short stacking energy: -767.169 Base-Backbone interact. energy: -1.505 local terms energy: -766.076359 where: bonds (distance) C4'-P energy: -124.215 bonds (distance) P-C4' energy: -146.376 flat angles C4'-P-C4' energy: -161.248 flat angles P-C4'-P energy: -105.685 tors. eta vs tors. theta energy: -228.553 Dist. restrs. and SS energy: 0.000 (S_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: 353 Temperature: 0.950000 Total energy: -2682.666472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.666472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.666472 (E_RNA) where: Base-Base interactions energy: -1912.453 where: short stacking energy: -748.364 Base-Backbone interact. energy: 1.388 local terms energy: -771.601046 where: bonds (distance) C4'-P energy: -123.398 bonds (distance) P-C4' energy: -149.269 flat angles C4'-P-C4' energy: -159.476 flat angles P-C4'-P energy: -115.666 tors. eta vs tors. theta energy: -223.792 Dist. restrs. and SS energy: 0.000 (S_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: 353 Temperature: 1.000000 Total energy: -2640.228830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.228830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.228830 (E_RNA) where: Base-Base interactions energy: -1879.783 where: short stacking energy: -756.024 Base-Backbone interact. energy: -3.435 local terms energy: -757.010383 where: bonds (distance) C4'-P energy: -120.637 bonds (distance) P-C4' energy: -144.354 flat angles C4'-P-C4' energy: -154.871 flat angles P-C4'-P energy: -109.845 tors. eta vs tors. theta energy: -227.303 Dist. restrs. and SS energy: 0.000 (S_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: 353 Temperature: 1.050000 Total energy: -2554.493220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.493220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.493220 (E_RNA) where: Base-Base interactions energy: -1819.810 where: short stacking energy: -736.309 Base-Backbone interact. energy: -2.707 local terms energy: -731.976714 where: bonds (distance) C4'-P energy: -104.796 bonds (distance) P-C4' energy: -146.448 flat angles C4'-P-C4' energy: -155.528 flat angles P-C4'-P energy: -102.917 tors. eta vs tors. theta energy: -222.288 Dist. restrs. and SS energy: 0.000 (S_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: 353 Temperature: 1.100000 Total energy: -2461.861386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.861386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.861386 (E_RNA) where: Base-Base interactions energy: -1729.261 where: short stacking energy: -720.055 Base-Backbone interact. energy: -2.090 local terms energy: -730.510158 where: bonds (distance) C4'-P energy: -117.283 bonds (distance) P-C4' energy: -147.938 flat angles C4'-P-C4' energy: -162.736 flat angles P-C4'-P energy: -96.565 tors. eta vs tors. theta energy: -205.988 Dist. restrs. and SS energy: 0.000 (S_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: -2410.254037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.254037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.254037 (E_RNA) where: Base-Base interactions energy: -1666.503 where: short stacking energy: -692.228 Base-Backbone interact. energy: -1.892 local terms energy: -741.859270 where: bonds (distance) C4'-P energy: -121.620 bonds (distance) P-C4' energy: -148.569 flat angles C4'-P-C4' energy: -156.359 flat angles P-C4'-P energy: -102.887 tors. eta vs tors. theta energy: -212.424 Dist. restrs. and SS energy: 0.000 (S_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: 353 Temperature: 1.200000 Total energy: -2377.729533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.729533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.729533 (E_RNA) where: Base-Base interactions energy: -1690.498 where: short stacking energy: -687.307 Base-Backbone interact. energy: 3.963 local terms energy: -691.194406 where: bonds (distance) C4'-P energy: -103.026 bonds (distance) P-C4' energy: -141.016 flat angles C4'-P-C4' energy: -146.800 flat angles P-C4'-P energy: -96.770 tors. eta vs tors. theta energy: -203.583 Dist. restrs. and SS energy: 0.000 (S_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: 353 Temperature: 1.250000 Total energy: -2239.986001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.986001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.986001 (E_RNA) where: Base-Base interactions energy: -1569.961 where: short stacking energy: -628.856 Base-Backbone interact. energy: -2.110 local terms energy: -667.914913 where: bonds (distance) C4'-P energy: -106.725 bonds (distance) P-C4' energy: -149.323 flat angles C4'-P-C4' energy: -139.903 flat angles P-C4'-P energy: -91.478 tors. eta vs tors. theta energy: -180.485 Dist. restrs. and SS energy: 0.000 (S_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: 353 Temperature: 1.300000 Total energy: -2171.033215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.033215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.033215 (E_RNA) where: Base-Base interactions energy: -1483.926 where: short stacking energy: -617.481 Base-Backbone interact. energy: -1.435 local terms energy: -685.673133 where: bonds (distance) C4'-P energy: -125.183 bonds (distance) P-C4' energy: -130.609 flat angles C4'-P-C4' energy: -156.291 flat angles P-C4'-P energy: -95.816 tors. eta vs tors. theta energy: -177.775 Dist. restrs. and SS energy: 0.000 (S_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: 353 Temperature: 1.350000 Total energy: -1960.712589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.712589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.712589 (E_RNA) where: Base-Base interactions energy: -1370.285 where: short stacking energy: -575.381 Base-Backbone interact. energy: -1.983 local terms energy: -588.443945 where: bonds (distance) C4'-P energy: -93.512 bonds (distance) P-C4' energy: -128.141 flat angles C4'-P-C4' energy: -127.197 flat angles P-C4'-P energy: -81.196 tors. eta vs tors. theta energy: -158.397 Dist. restrs. and SS energy: 0.000 (S_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: 354 Temperature: 0.900000 Total energy: -2697.240274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.240274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.240274 (E_RNA) where: Base-Base interactions energy: -1919.195 where: short stacking energy: -765.649 Base-Backbone interact. energy: 0.908 local terms energy: -778.953725 where: bonds (distance) C4'-P energy: -126.613 bonds (distance) P-C4' energy: -158.877 flat angles C4'-P-C4' energy: -161.076 flat angles P-C4'-P energy: -104.960 tors. eta vs tors. theta energy: -227.428 Dist. restrs. and SS energy: 0.000 (S_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: 354 Temperature: 0.950000 Total energy: -2666.927719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.927719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.927719 (E_RNA) where: Base-Base interactions energy: -1896.190 where: short stacking energy: -753.788 Base-Backbone interact. energy: -1.525 local terms energy: -769.212650 where: bonds (distance) C4'-P energy: -114.572 bonds (distance) P-C4' energy: -155.962 flat angles C4'-P-C4' energy: -160.059 flat angles P-C4'-P energy: -112.576 tors. eta vs tors. theta energy: -226.043 Dist. restrs. and SS energy: 0.000 (S_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: 354 Temperature: 1.000000 Total energy: -2638.421334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.421334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.421334 (E_RNA) where: Base-Base interactions energy: -1874.951 where: short stacking energy: -737.652 Base-Backbone interact. energy: -2.900 local terms energy: -760.569795 where: bonds (distance) C4'-P energy: -121.573 bonds (distance) P-C4' energy: -141.897 flat angles C4'-P-C4' energy: -153.909 flat angles P-C4'-P energy: -120.415 tors. eta vs tors. theta energy: -222.775 Dist. restrs. and SS energy: 0.000 (S_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: 354 Temperature: 1.050000 Total energy: -2580.179235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.179235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.179235 (E_RNA) where: Base-Base interactions energy: -1822.717 where: short stacking energy: -732.089 Base-Backbone interact. energy: -1.652 local terms energy: -755.810953 where: bonds (distance) C4'-P energy: -109.882 bonds (distance) P-C4' energy: -151.910 flat angles C4'-P-C4' energy: -154.050 flat angles P-C4'-P energy: -113.050 tors. eta vs tors. theta energy: -226.919 Dist. restrs. and SS energy: 0.000 (S_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: 354 Temperature: 1.100000 Total energy: -2478.372254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.372254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.372254 (E_RNA) where: Base-Base interactions energy: -1765.887 where: short stacking energy: -713.706 Base-Backbone interact. energy: -2.029 local terms energy: -710.456240 where: bonds (distance) C4'-P energy: -106.789 bonds (distance) P-C4' energy: -141.263 flat angles C4'-P-C4' energy: -150.290 flat angles P-C4'-P energy: -102.196 tors. eta vs tors. theta energy: -209.918 Dist. restrs. and SS energy: 0.000 (S_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: 354 Temperature: 1.150000 Total energy: -2430.016453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.016453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.016453 (E_RNA) where: Base-Base interactions energy: -1716.110 where: short stacking energy: -714.774 Base-Backbone interact. energy: -0.935 local terms energy: -712.971705 where: bonds (distance) C4'-P energy: -105.497 bonds (distance) P-C4' energy: -139.106 flat angles C4'-P-C4' energy: -157.532 flat angles P-C4'-P energy: -105.479 tors. eta vs tors. theta energy: -205.357 Dist. restrs. and SS energy: 0.000 (S_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: 354 Temperature: 1.200000 Total energy: -2374.879876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.879876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.879876 (E_RNA) where: Base-Base interactions energy: -1656.542 where: short stacking energy: -683.503 Base-Backbone interact. energy: -0.933 local terms energy: -717.404564 where: bonds (distance) C4'-P energy: -105.881 bonds (distance) P-C4' energy: -147.894 flat angles C4'-P-C4' energy: -150.584 flat angles P-C4'-P energy: -102.916 tors. eta vs tors. theta energy: -210.130 Dist. restrs. and SS energy: 0.000 (S_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: 354 Temperature: 1.250000 Total energy: -2274.976541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.976541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.976541 (E_RNA) where: Base-Base interactions energy: -1579.468 where: short stacking energy: -636.285 Base-Backbone interact. energy: -1.419 local terms energy: -694.088708 where: bonds (distance) C4'-P energy: -110.391 bonds (distance) P-C4' energy: -152.836 flat angles C4'-P-C4' energy: -142.965 flat angles P-C4'-P energy: -102.469 tors. eta vs tors. theta energy: -185.428 Dist. restrs. and SS energy: 0.000 (S_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: 354 Temperature: 1.300000 Total energy: -2201.151880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.151880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.151880 (E_RNA) where: Base-Base interactions energy: -1523.723 where: short stacking energy: -632.595 Base-Backbone interact. energy: -1.820 local terms energy: -675.608172 where: bonds (distance) C4'-P energy: -106.677 bonds (distance) P-C4' energy: -138.377 flat angles C4'-P-C4' energy: -148.715 flat angles P-C4'-P energy: -102.581 tors. eta vs tors. theta energy: -179.258 Dist. restrs. and SS energy: 0.000 (S_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: 354 Temperature: 1.350000 Total energy: -2040.042157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.042157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.042157 (E_RNA) where: Base-Base interactions energy: -1419.976 where: short stacking energy: -576.114 Base-Backbone interact. energy: -1.442 local terms energy: -618.624732 where: bonds (distance) C4'-P energy: -96.661 bonds (distance) P-C4' energy: -139.218 flat angles C4'-P-C4' energy: -129.502 flat angles P-C4'-P energy: -100.564 tors. eta vs tors. theta energy: -152.679 Dist. restrs. and SS energy: 0.000 (S_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: 355 Temperature: 0.900000 Total energy: -2693.520420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.520420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.520420 (E_RNA) where: Base-Base interactions energy: -1911.527 where: short stacking energy: -764.117 Base-Backbone interact. energy: -2.991 local terms energy: -779.002261 where: bonds (distance) C4'-P energy: -122.894 bonds (distance) P-C4' energy: -155.428 flat angles C4'-P-C4' energy: -159.888 flat angles P-C4'-P energy: -117.170 tors. eta vs tors. theta energy: -223.622 Dist. restrs. and SS energy: 0.000 (S_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: 355 Temperature: 0.950000 Total energy: -2682.276090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.276090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.276090 (E_RNA) where: Base-Base interactions energy: -1905.107 where: short stacking energy: -757.433 Base-Backbone interact. energy: -2.678 local terms energy: -774.491190 where: bonds (distance) C4'-P energy: -129.136 bonds (distance) P-C4' energy: -150.835 flat angles C4'-P-C4' energy: -158.309 flat angles P-C4'-P energy: -119.170 tors. eta vs tors. theta energy: -217.042 Dist. restrs. and SS energy: 0.000 (S_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: 355 Temperature: 1.000000 Total energy: -2608.964039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.964039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.964039 (E_RNA) where: Base-Base interactions energy: -1872.554 where: short stacking energy: -729.319 Base-Backbone interact. energy: -2.237 local terms energy: -734.173234 where: bonds (distance) C4'-P energy: -112.123 bonds (distance) P-C4' energy: -135.237 flat angles C4'-P-C4' energy: -152.824 flat angles P-C4'-P energy: -112.485 tors. eta vs tors. theta energy: -221.504 Dist. restrs. and SS energy: 0.000 (S_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: 355 Temperature: 1.050000 Total energy: -2549.292451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.292451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.292451 (E_RNA) where: Base-Base interactions energy: -1796.607 where: short stacking energy: -743.128 Base-Backbone interact. energy: -2.278 local terms energy: -750.406683 where: bonds (distance) C4'-P energy: -117.489 bonds (distance) P-C4' energy: -138.523 flat angles C4'-P-C4' energy: -151.081 flat angles P-C4'-P energy: -113.953 tors. eta vs tors. theta energy: -229.361 Dist. restrs. and SS energy: 0.000 (S_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: 355 Temperature: 1.100000 Total energy: -2523.563584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.563584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.563584 (E_RNA) where: Base-Base interactions energy: -1779.209 where: short stacking energy: -716.618 Base-Backbone interact. energy: -2.194 local terms energy: -742.160233 where: bonds (distance) C4'-P energy: -119.305 bonds (distance) P-C4' energy: -145.088 flat angles C4'-P-C4' energy: -152.668 flat angles P-C4'-P energy: -105.715 tors. eta vs tors. theta energy: -219.384 Dist. restrs. and SS energy: 0.000 (S_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: 355 Temperature: 1.150000 Total energy: -2446.820004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.820004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.820004 (E_RNA) where: Base-Base interactions energy: -1727.721 where: short stacking energy: -689.937 Base-Backbone interact. energy: -1.427 local terms energy: -717.671348 where: bonds (distance) C4'-P energy: -113.383 bonds (distance) P-C4' energy: -138.121 flat angles C4'-P-C4' energy: -155.660 flat angles P-C4'-P energy: -105.696 tors. eta vs tors. theta energy: -204.811 Dist. restrs. and SS energy: 0.000 (S_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: 355 Temperature: 1.200000 Total energy: -2362.149436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.149436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.149436 (E_RNA) where: Base-Base interactions energy: -1654.262 where: short stacking energy: -678.613 Base-Backbone interact. energy: -2.531 local terms energy: -705.356673 where: bonds (distance) C4'-P energy: -110.636 bonds (distance) P-C4' energy: -139.395 flat angles C4'-P-C4' energy: -151.380 flat angles P-C4'-P energy: -102.410 tors. eta vs tors. theta energy: -201.535 Dist. restrs. and SS energy: 0.000 (S_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: 355 Temperature: 1.250000 Total energy: -2293.187297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.187297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.187297 (E_RNA) where: Base-Base interactions energy: -1600.830 where: short stacking energy: -639.815 Base-Backbone interact. energy: -1.093 local terms energy: -691.264281 where: bonds (distance) C4'-P energy: -101.471 bonds (distance) P-C4' energy: -142.476 flat angles C4'-P-C4' energy: -148.374 flat angles P-C4'-P energy: -106.362 tors. eta vs tors. theta energy: -192.582 Dist. restrs. and SS energy: 0.000 (S_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: 355 Temperature: 1.300000 Total energy: -2200.164699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.164699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.164699 (E_RNA) where: Base-Base interactions energy: -1539.079 where: short stacking energy: -646.912 Base-Backbone interact. energy: -1.511 local terms energy: -659.574119 where: bonds (distance) C4'-P energy: -98.097 bonds (distance) P-C4' energy: -125.964 flat angles C4'-P-C4' energy: -146.682 flat angles P-C4'-P energy: -100.229 tors. eta vs tors. theta energy: -188.603 Dist. restrs. and SS energy: 0.000 (S_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: 355 Temperature: 1.350000 Total energy: -2013.974346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.974346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.974346 (E_RNA) where: Base-Base interactions energy: -1393.278 where: short stacking energy: -572.511 Base-Backbone interact. energy: 2.128 local terms energy: -622.824925 where: bonds (distance) C4'-P energy: -102.837 bonds (distance) P-C4' energy: -138.626 flat angles C4'-P-C4' energy: -134.828 flat angles P-C4'-P energy: -92.522 tors. eta vs tors. theta energy: -154.012 Dist. restrs. and SS energy: 0.000 (S_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: 356 Temperature: 0.900000 Total energy: -2695.497112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.497112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.497112 (E_RNA) where: Base-Base interactions energy: -1916.500 where: short stacking energy: -764.455 Base-Backbone interact. energy: -1.934 local terms energy: -777.063327 where: bonds (distance) C4'-P energy: -119.827 bonds (distance) P-C4' energy: -159.553 flat angles C4'-P-C4' energy: -156.264 flat angles P-C4'-P energy: -117.851 tors. eta vs tors. theta energy: -223.568 Dist. restrs. and SS energy: 0.000 (S_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: 356 Temperature: 0.950000 Total energy: -2669.658684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.658684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.658684 (E_RNA) where: Base-Base interactions energy: -1896.784 where: short stacking energy: -744.209 Base-Backbone interact. energy: -2.033 local terms energy: -770.841793 where: bonds (distance) C4'-P energy: -124.699 bonds (distance) P-C4' energy: -153.302 flat angles C4'-P-C4' energy: -159.874 flat angles P-C4'-P energy: -110.347 tors. eta vs tors. theta energy: -222.621 Dist. restrs. and SS energy: 0.000 (S_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: 356 Temperature: 1.000000 Total energy: -2632.988709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.988709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.988709 (E_RNA) where: Base-Base interactions energy: -1883.981 where: short stacking energy: -738.624 Base-Backbone interact. energy: -3.153 local terms energy: -745.854351 where: bonds (distance) C4'-P energy: -112.296 bonds (distance) P-C4' energy: -154.157 flat angles C4'-P-C4' energy: -159.321 flat angles P-C4'-P energy: -107.094 tors. eta vs tors. theta energy: -212.986 Dist. restrs. and SS energy: 0.000 (S_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: -2573.934013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.934013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.934013 (E_RNA) where: Base-Base interactions energy: -1822.227 where: short stacking energy: -736.245 Base-Backbone interact. energy: -0.537 local terms energy: -751.169702 where: bonds (distance) C4'-P energy: -114.906 bonds (distance) P-C4' energy: -152.353 flat angles C4'-P-C4' energy: -154.179 flat angles P-C4'-P energy: -110.204 tors. eta vs tors. theta energy: -219.527 Dist. restrs. and SS energy: 0.000 (S_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: -2548.838143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.838143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.838143 (E_RNA) where: Base-Base interactions energy: -1805.815 where: short stacking energy: -728.799 Base-Backbone interact. energy: -1.255 local terms energy: -741.768430 where: bonds (distance) C4'-P energy: -120.982 bonds (distance) P-C4' energy: -147.821 flat angles C4'-P-C4' energy: -155.617 flat angles P-C4'-P energy: -104.106 tors. eta vs tors. theta energy: -213.242 Dist. restrs. and SS energy: 0.000 (S_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: 356 Temperature: 1.150000 Total energy: -2429.017501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.017501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.017501 (E_RNA) where: Base-Base interactions energy: -1719.755 where: short stacking energy: -702.523 Base-Backbone interact. energy: -1.344 local terms energy: -707.917835 where: bonds (distance) C4'-P energy: -119.230 bonds (distance) P-C4' energy: -145.978 flat angles C4'-P-C4' energy: -148.390 flat angles P-C4'-P energy: -94.433 tors. eta vs tors. theta energy: -199.887 Dist. restrs. and SS energy: 0.000 (S_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: 356 Temperature: 1.200000 Total energy: -2393.242064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.242064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.242064 (E_RNA) where: Base-Base interactions energy: -1687.682 where: short stacking energy: -672.327 Base-Backbone interact. energy: -4.216 local terms energy: -701.344350 where: bonds (distance) C4'-P energy: -101.581 bonds (distance) P-C4' energy: -156.924 flat angles C4'-P-C4' energy: -148.291 flat angles P-C4'-P energy: -97.558 tors. eta vs tors. theta energy: -196.991 Dist. restrs. and SS energy: 0.000 (S_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: 356 Temperature: 1.250000 Total energy: -2231.079422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.079422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.079422 (E_RNA) where: Base-Base interactions energy: -1555.938 where: short stacking energy: -636.650 Base-Backbone interact. energy: -1.931 local terms energy: -673.210462 where: bonds (distance) C4'-P energy: -114.769 bonds (distance) P-C4' energy: -148.378 flat angles C4'-P-C4' energy: -127.806 flat angles P-C4'-P energy: -96.374 tors. eta vs tors. theta energy: -185.884 Dist. restrs. and SS energy: 0.000 (S_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: 356 Temperature: 1.300000 Total energy: -2195.645043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.645043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.645043 (E_RNA) where: Base-Base interactions energy: -1544.191 where: short stacking energy: -634.288 Base-Backbone interact. energy: -1.651 local terms energy: -649.802681 where: bonds (distance) C4'-P energy: -100.920 bonds (distance) P-C4' energy: -126.428 flat angles C4'-P-C4' energy: -140.294 flat angles P-C4'-P energy: -99.322 tors. eta vs tors. theta energy: -182.839 Dist. restrs. and SS energy: 0.000 (S_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: 356 Temperature: 1.350000 Total energy: -2049.473669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.473669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.473669 (E_RNA) where: Base-Base interactions energy: -1415.937 where: short stacking energy: -580.083 Base-Backbone interact. energy: -3.251 local terms energy: -630.285632 where: bonds (distance) C4'-P energy: -103.773 bonds (distance) P-C4' energy: -145.141 flat angles C4'-P-C4' energy: -133.532 flat angles P-C4'-P energy: -88.626 tors. eta vs tors. theta energy: -159.213 Dist. restrs. and SS energy: 0.000 (S_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: 357 Temperature: 0.900000 Total energy: -2706.682697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.682697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.682697 (E_RNA) where: Base-Base interactions energy: -1925.389 where: short stacking energy: -777.723 Base-Backbone interact. energy: -2.802 local terms energy: -778.491932 where: bonds (distance) C4'-P energy: -118.422 bonds (distance) P-C4' energy: -154.344 flat angles C4'-P-C4' energy: -165.541 flat angles P-C4'-P energy: -116.164 tors. eta vs tors. theta energy: -224.021 Dist. restrs. and SS energy: 0.000 (S_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: 357 Temperature: 0.950000 Total energy: -2662.961527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.961527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.961527 (E_RNA) where: Base-Base interactions energy: -1896.348 where: short stacking energy: -764.221 Base-Backbone interact. energy: -2.855 local terms energy: -763.758940 where: bonds (distance) C4'-P energy: -115.700 bonds (distance) P-C4' energy: -153.556 flat angles C4'-P-C4' energy: -159.739 flat angles P-C4'-P energy: -102.877 tors. eta vs tors. theta energy: -231.885 Dist. restrs. and SS energy: 0.000 (S_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: 357 Temperature: 1.000000 Total energy: -2610.255490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.255490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.255490 (E_RNA) where: Base-Base interactions energy: -1865.294 where: short stacking energy: -748.223 Base-Backbone interact. energy: -1.682 local terms energy: -743.279964 where: bonds (distance) C4'-P energy: -112.248 bonds (distance) P-C4' energy: -145.189 flat angles C4'-P-C4' energy: -146.244 flat angles P-C4'-P energy: -114.643 tors. eta vs tors. theta energy: -224.955 Dist. restrs. and SS energy: 0.000 (S_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: 357 Temperature: 1.050000 Total energy: -2580.347743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.347743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.347743 (E_RNA) where: Base-Base interactions energy: -1824.569 where: short stacking energy: -729.862 Base-Backbone interact. energy: -0.841 local terms energy: -754.937788 where: bonds (distance) C4'-P energy: -127.752 bonds (distance) P-C4' energy: -144.692 flat angles C4'-P-C4' energy: -154.434 flat angles P-C4'-P energy: -100.963 tors. eta vs tors. theta energy: -227.097 Dist. restrs. and SS energy: 0.000 (S_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: 357 Temperature: 1.100000 Total energy: -2545.079847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.079847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.079847 (E_RNA) where: Base-Base interactions energy: -1811.418 where: short stacking energy: -732.374 Base-Backbone interact. energy: -2.209 local terms energy: -731.452964 where: bonds (distance) C4'-P energy: -117.560 bonds (distance) P-C4' energy: -144.169 flat angles C4'-P-C4' energy: -145.810 flat angles P-C4'-P energy: -99.511 tors. eta vs tors. theta energy: -224.403 Dist. restrs. and SS energy: 0.000 (S_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: 357 Temperature: 1.150000 Total energy: -2406.074014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.074014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.074014 (E_RNA) where: Base-Base interactions energy: -1701.698 where: short stacking energy: -681.649 Base-Backbone interact. energy: -1.537 local terms energy: -702.839462 where: bonds (distance) C4'-P energy: -110.137 bonds (distance) P-C4' energy: -146.835 flat angles C4'-P-C4' energy: -144.640 flat angles P-C4'-P energy: -105.633 tors. eta vs tors. theta energy: -195.595 Dist. restrs. and SS energy: 0.000 (S_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: 357 Temperature: 1.200000 Total energy: -2391.606683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.606683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.606683 (E_RNA) where: Base-Base interactions energy: -1694.204 where: short stacking energy: -673.668 Base-Backbone interact. energy: -1.845 local terms energy: -695.557150 where: bonds (distance) C4'-P energy: -103.762 bonds (distance) P-C4' energy: -135.633 flat angles C4'-P-C4' energy: -157.222 flat angles P-C4'-P energy: -99.207 tors. eta vs tors. theta energy: -199.732 Dist. restrs. and SS energy: 0.000 (S_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: -2306.874685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.874685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.874685 (E_RNA) where: Base-Base interactions energy: -1602.718 where: short stacking energy: -639.146 Base-Backbone interact. energy: -2.064 local terms energy: -702.092142 where: bonds (distance) C4'-P energy: -126.072 bonds (distance) P-C4' energy: -146.137 flat angles C4'-P-C4' energy: -134.838 flat angles P-C4'-P energy: -95.149 tors. eta vs tors. theta energy: -199.897 Dist. restrs. and SS energy: 0.000 (S_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: 357 Temperature: 1.300000 Total energy: -2169.699141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.699141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.699141 (E_RNA) where: Base-Base interactions energy: -1529.979 where: short stacking energy: -624.682 Base-Backbone interact. energy: 2.621 local terms energy: -642.340962 where: bonds (distance) C4'-P energy: -88.417 bonds (distance) P-C4' energy: -142.625 flat angles C4'-P-C4' energy: -141.036 flat angles P-C4'-P energy: -97.648 tors. eta vs tors. theta energy: -172.615 Dist. restrs. and SS energy: 0.000 (S_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: 357 Temperature: 1.350000 Total energy: -1999.450007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.450007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.450007 (E_RNA) where: Base-Base interactions energy: -1386.337 where: short stacking energy: -564.959 Base-Backbone interact. energy: 0.702 local terms energy: -613.815494 where: bonds (distance) C4'-P energy: -113.688 bonds (distance) P-C4' energy: -129.522 flat angles C4'-P-C4' energy: -141.504 flat angles P-C4'-P energy: -81.339 tors. eta vs tors. theta energy: -147.763 Dist. restrs. and SS energy: 0.000 (S_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: 358 Temperature: 0.900000 Total energy: -2700.066140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.066140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.066140 (E_RNA) where: Base-Base interactions energy: -1928.141 where: short stacking energy: -769.938 Base-Backbone interact. energy: -1.876 local terms energy: -770.048975 where: bonds (distance) C4'-P energy: -129.088 bonds (distance) P-C4' energy: -151.866 flat angles C4'-P-C4' energy: -161.827 flat angles P-C4'-P energy: -103.659 tors. eta vs tors. theta energy: -223.609 Dist. restrs. and SS energy: 0.000 (S_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: 358 Temperature: 0.950000 Total energy: -2677.627337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.627337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.627337 (E_RNA) where: Base-Base interactions energy: -1909.311 where: short stacking energy: -759.509 Base-Backbone interact. energy: -1.909 local terms energy: -766.407447 where: bonds (distance) C4'-P energy: -106.735 bonds (distance) P-C4' energy: -147.868 flat angles C4'-P-C4' energy: -165.070 flat angles P-C4'-P energy: -117.036 tors. eta vs tors. theta energy: -229.699 Dist. restrs. and SS energy: 0.000 (S_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: 358 Temperature: 1.000000 Total energy: -2580.209004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.209004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.209004 (E_RNA) where: Base-Base interactions energy: -1834.406 where: short stacking energy: -732.749 Base-Backbone interact. energy: -2.602 local terms energy: -743.201200 where: bonds (distance) C4'-P energy: -124.723 bonds (distance) P-C4' energy: -154.640 flat angles C4'-P-C4' energy: -150.595 flat angles P-C4'-P energy: -99.501 tors. eta vs tors. theta energy: -213.742 Dist. restrs. and SS energy: 0.000 (S_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: 358 Temperature: 1.050000 Total energy: -2587.478362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.478362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.478362 (E_RNA) where: Base-Base interactions energy: -1835.817 where: short stacking energy: -737.020 Base-Backbone interact. energy: -2.150 local terms energy: -749.510697 where: bonds (distance) C4'-P energy: -112.123 bonds (distance) P-C4' energy: -143.977 flat angles C4'-P-C4' energy: -154.661 flat angles P-C4'-P energy: -110.918 tors. eta vs tors. theta energy: -227.832 Dist. restrs. and SS energy: 0.000 (S_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: 358 Temperature: 1.100000 Total energy: -2532.699644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.699644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.699644 (E_RNA) where: Base-Base interactions energy: -1788.009 where: short stacking energy: -700.184 Base-Backbone interact. energy: -1.827 local terms energy: -742.863273 where: bonds (distance) C4'-P energy: -119.928 bonds (distance) P-C4' energy: -151.506 flat angles C4'-P-C4' energy: -154.240 flat angles P-C4'-P energy: -106.837 tors. eta vs tors. theta energy: -210.352 Dist. restrs. and SS energy: 0.000 (S_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: 358 Temperature: 1.150000 Total energy: -2438.472416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.472416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.472416 (E_RNA) where: Base-Base interactions energy: -1745.374 where: short stacking energy: -707.755 Base-Backbone interact. energy: -0.011 local terms energy: -693.087186 where: bonds (distance) C4'-P energy: -98.339 bonds (distance) P-C4' energy: -134.163 flat angles C4'-P-C4' energy: -149.940 flat angles P-C4'-P energy: -104.852 tors. eta vs tors. theta energy: -205.793 Dist. restrs. and SS energy: 0.000 (S_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: 358 Temperature: 1.200000 Total energy: -2381.802090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.802090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.802090 (E_RNA) where: Base-Base interactions energy: -1665.347 where: short stacking energy: -669.553 Base-Backbone interact. energy: -1.694 local terms energy: -714.761896 where: bonds (distance) C4'-P energy: -112.613 bonds (distance) P-C4' energy: -143.780 flat angles C4'-P-C4' energy: -148.158 flat angles P-C4'-P energy: -112.463 tors. eta vs tors. theta energy: -197.747 Dist. restrs. and SS energy: 0.000 (S_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: 358 Temperature: 1.250000 Total energy: -2323.931372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.931372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.931372 (E_RNA) where: Base-Base interactions energy: -1634.108 where: short stacking energy: -699.569 Base-Backbone interact. energy: 0.404 local terms energy: -690.227656 where: bonds (distance) C4'-P energy: -93.926 bonds (distance) P-C4' energy: -139.548 flat angles C4'-P-C4' energy: -153.750 flat angles P-C4'-P energy: -94.609 tors. eta vs tors. theta energy: -208.395 Dist. restrs. and SS energy: 0.000 (S_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: 358 Temperature: 1.300000 Total energy: -2264.705269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.705269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.705269 (E_RNA) where: Base-Base interactions energy: -1580.588 where: short stacking energy: -638.699 Base-Backbone interact. energy: -1.547 local terms energy: -682.570222 where: bonds (distance) C4'-P energy: -119.036 bonds (distance) P-C4' energy: -138.945 flat angles C4'-P-C4' energy: -139.615 flat angles P-C4'-P energy: -96.011 tors. eta vs tors. theta energy: -188.964 Dist. restrs. and SS energy: 0.000 (S_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: 358 Temperature: 1.350000 Total energy: -2027.889130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.889130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.889130 (E_RNA) where: Base-Base interactions energy: -1420.661 where: short stacking energy: -586.333 Base-Backbone interact. energy: -1.758 local terms energy: -605.470857 where: bonds (distance) C4'-P energy: -93.407 bonds (distance) P-C4' energy: -128.834 flat angles C4'-P-C4' energy: -141.022 flat angles P-C4'-P energy: -87.721 tors. eta vs tors. theta energy: -154.486 Dist. restrs. and SS energy: 0.000 (S_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: 359 Temperature: 0.900000 Total energy: -2699.545100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.545100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.545100 (E_RNA) where: Base-Base interactions energy: -1913.577 where: short stacking energy: -759.196 Base-Backbone interact. energy: -5.153 local terms energy: -780.814347 where: bonds (distance) C4'-P energy: -124.727 bonds (distance) P-C4' energy: -158.745 flat angles C4'-P-C4' energy: -160.051 flat angles P-C4'-P energy: -112.139 tors. eta vs tors. theta energy: -225.152 Dist. restrs. and SS energy: 0.000 (S_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: 359 Temperature: 0.950000 Total energy: -2667.950991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.950991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.950991 (E_RNA) where: Base-Base interactions energy: -1896.606 where: short stacking energy: -751.242 Base-Backbone interact. energy: -1.742 local terms energy: -769.602949 where: bonds (distance) C4'-P energy: -119.220 bonds (distance) P-C4' energy: -148.736 flat angles C4'-P-C4' energy: -166.888 flat angles P-C4'-P energy: -112.146 tors. eta vs tors. theta energy: -222.613 Dist. restrs. and SS energy: 0.000 (S_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: 359 Temperature: 1.000000 Total energy: -2613.432759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.432759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.432759 (E_RNA) where: Base-Base interactions energy: -1848.622 where: short stacking energy: -746.770 Base-Backbone interact. energy: -2.587 local terms energy: -762.223665 where: bonds (distance) C4'-P energy: -116.280 bonds (distance) P-C4' energy: -151.576 flat angles C4'-P-C4' energy: -159.559 flat angles P-C4'-P energy: -111.324 tors. eta vs tors. theta energy: -223.484 Dist. restrs. and SS energy: 0.000 (S_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: 359 Temperature: 1.050000 Total energy: -2589.474092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.474092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.474092 (E_RNA) where: Base-Base interactions energy: -1832.968 where: short stacking energy: -728.612 Base-Backbone interact. energy: -2.054 local terms energy: -754.452644 where: bonds (distance) C4'-P energy: -112.160 bonds (distance) P-C4' energy: -153.197 flat angles C4'-P-C4' energy: -156.107 flat angles P-C4'-P energy: -110.847 tors. eta vs tors. theta energy: -222.142 Dist. restrs. and SS energy: 0.000 (S_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: 359 Temperature: 1.100000 Total energy: -2495.071763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.071763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.071763 (E_RNA) where: Base-Base interactions energy: -1756.906 where: short stacking energy: -716.719 Base-Backbone interact. energy: -2.451 local terms energy: -735.715053 where: bonds (distance) C4'-P energy: -118.657 bonds (distance) P-C4' energy: -141.145 flat angles C4'-P-C4' energy: -150.719 flat angles P-C4'-P energy: -100.423 tors. eta vs tors. theta energy: -224.771 Dist. restrs. and SS energy: 0.000 (S_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: 359 Temperature: 1.150000 Total energy: -2483.568052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.568052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.568052 (E_RNA) where: Base-Base interactions energy: -1748.405 where: short stacking energy: -689.923 Base-Backbone interact. energy: -1.111 local terms energy: -734.051943 where: bonds (distance) C4'-P energy: -124.565 bonds (distance) P-C4' energy: -145.504 flat angles C4'-P-C4' energy: -153.871 flat angles P-C4'-P energy: -109.693 tors. eta vs tors. theta energy: -200.419 Dist. restrs. and SS energy: 0.000 (S_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: 359 Temperature: 1.200000 Total energy: -2385.816595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.816595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.816595 (E_RNA) where: Base-Base interactions energy: -1693.909 where: short stacking energy: -678.749 Base-Backbone interact. energy: -0.376 local terms energy: -691.532026 where: bonds (distance) C4'-P energy: -95.668 bonds (distance) P-C4' energy: -144.402 flat angles C4'-P-C4' energy: -150.400 flat angles P-C4'-P energy: -103.951 tors. eta vs tors. theta energy: -197.111 Dist. restrs. and SS energy: 0.000 (S_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: 359 Temperature: 1.250000 Total energy: -2310.196338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.196338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.196338 (E_RNA) where: Base-Base interactions energy: -1616.654 where: short stacking energy: -661.048 Base-Backbone interact. energy: 2.592 local terms energy: -696.133653 where: bonds (distance) C4'-P energy: -110.405 bonds (distance) P-C4' energy: -131.739 flat angles C4'-P-C4' energy: -152.009 flat angles P-C4'-P energy: -104.832 tors. eta vs tors. theta energy: -197.147 Dist. restrs. and SS energy: 0.000 (S_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: 359 Temperature: 1.300000 Total energy: -2229.693252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.693252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.693252 (E_RNA) where: Base-Base interactions energy: -1559.410 where: short stacking energy: -642.414 Base-Backbone interact. energy: -1.850 local terms energy: -668.433540 where: bonds (distance) C4'-P energy: -111.165 bonds (distance) P-C4' energy: -126.641 flat angles C4'-P-C4' energy: -150.176 flat angles P-C4'-P energy: -98.223 tors. eta vs tors. theta energy: -182.229 Dist. restrs. and SS energy: 0.000 (S_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: 359 Temperature: 1.350000 Total energy: -2029.065902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.065902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.065902 (E_RNA) where: Base-Base interactions energy: -1405.748 where: short stacking energy: -582.920 Base-Backbone interact. energy: 2.420 local terms energy: -625.737681 where: bonds (distance) C4'-P energy: -113.854 bonds (distance) P-C4' energy: -127.574 flat angles C4'-P-C4' energy: -134.255 flat angles P-C4'-P energy: -93.563 tors. eta vs tors. theta energy: -156.491 Dist. restrs. and SS energy: 0.000 (S_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: 360 Temperature: 0.900000 Total energy: -2693.932456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.932456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.932456 (E_RNA) where: Base-Base interactions energy: -1932.747 where: short stacking energy: -783.550 Base-Backbone interact. energy: -1.930 local terms energy: -759.256260 where: bonds (distance) C4'-P energy: -116.755 bonds (distance) P-C4' energy: -150.688 flat angles C4'-P-C4' energy: -154.824 flat angles P-C4'-P energy: -106.579 tors. eta vs tors. theta energy: -230.410 Dist. restrs. and SS energy: 0.000 (S_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: 360 Temperature: 0.950000 Total energy: -2677.821690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.821690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.821690 (E_RNA) where: Base-Base interactions energy: -1901.112 where: short stacking energy: -752.575 Base-Backbone interact. energy: -2.565 local terms energy: -774.144465 where: bonds (distance) C4'-P energy: -128.400 bonds (distance) P-C4' energy: -152.195 flat angles C4'-P-C4' energy: -165.027 flat angles P-C4'-P energy: -107.605 tors. eta vs tors. theta energy: -220.918 Dist. restrs. and SS energy: 0.000 (S_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: 360 Temperature: 1.000000 Total energy: -2632.020505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.020505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.020505 (E_RNA) where: Base-Base interactions energy: -1857.520 where: short stacking energy: -732.938 Base-Backbone interact. energy: -1.777 local terms energy: -772.724458 where: bonds (distance) C4'-P energy: -118.191 bonds (distance) P-C4' energy: -155.218 flat angles C4'-P-C4' energy: -166.442 flat angles P-C4'-P energy: -109.712 tors. eta vs tors. theta energy: -223.162 Dist. restrs. and SS energy: 0.000 (S_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: 360 Temperature: 1.050000 Total energy: -2550.874541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.874541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.874541 (E_RNA) where: Base-Base interactions energy: -1803.610 where: short stacking energy: -744.598 Base-Backbone interact. energy: -4.239 local terms energy: -743.025018 where: bonds (distance) C4'-P energy: -106.431 bonds (distance) P-C4' energy: -137.575 flat angles C4'-P-C4' energy: -159.794 flat angles P-C4'-P energy: -106.070 tors. eta vs tors. theta energy: -233.155 Dist. restrs. and SS energy: 0.000 (S_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: 360 Temperature: 1.100000 Total energy: -2492.374755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.374755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.374755 (E_RNA) where: Base-Base interactions energy: -1767.822 where: short stacking energy: -713.358 Base-Backbone interact. energy: -2.183 local terms energy: -722.369921 where: bonds (distance) C4'-P energy: -122.621 bonds (distance) P-C4' energy: -135.203 flat angles C4'-P-C4' energy: -146.469 flat angles P-C4'-P energy: -98.855 tors. eta vs tors. theta energy: -219.221 Dist. restrs. and SS energy: 0.000 (S_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: 360 Temperature: 1.150000 Total energy: -2426.838382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.838382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.838382 (E_RNA) where: Base-Base interactions energy: -1710.555 where: short stacking energy: -674.184 Base-Backbone interact. energy: -1.941 local terms energy: -714.342020 where: bonds (distance) C4'-P energy: -123.811 bonds (distance) P-C4' energy: -135.373 flat angles C4'-P-C4' energy: -150.526 flat angles P-C4'-P energy: -101.940 tors. eta vs tors. theta energy: -202.691 Dist. restrs. and SS energy: 0.000 (S_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: 360 Temperature: 1.200000 Total energy: -2414.423353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.423353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.423353 (E_RNA) where: Base-Base interactions energy: -1697.731 where: short stacking energy: -680.380 Base-Backbone interact. energy: -2.418 local terms energy: -714.273665 where: bonds (distance) C4'-P energy: -107.417 bonds (distance) P-C4' energy: -144.879 flat angles C4'-P-C4' energy: -151.790 flat angles P-C4'-P energy: -109.897 tors. eta vs tors. theta energy: -200.291 Dist. restrs. and SS energy: 0.000 (S_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: 360 Temperature: 1.250000 Total energy: -2276.751859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.751859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.751859 (E_RNA) where: Base-Base interactions energy: -1603.290 where: short stacking energy: -651.333 Base-Backbone interact. energy: -1.876 local terms energy: -671.585890 where: bonds (distance) C4'-P energy: -99.954 bonds (distance) P-C4' energy: -133.896 flat angles C4'-P-C4' energy: -150.963 flat angles P-C4'-P energy: -97.949 tors. eta vs tors. theta energy: -188.824 Dist. restrs. and SS energy: 0.000 (S_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: 360 Temperature: 1.300000 Total energy: -2204.793836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.793836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.793836 (E_RNA) where: Base-Base interactions energy: -1565.859 where: short stacking energy: -638.828 Base-Backbone interact. energy: 2.026 local terms energy: -640.960850 where: bonds (distance) C4'-P energy: -111.402 bonds (distance) P-C4' energy: -126.044 flat angles C4'-P-C4' energy: -137.284 flat angles P-C4'-P energy: -79.978 tors. eta vs tors. theta energy: -186.253 Dist. restrs. and SS energy: 0.000 (S_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: -2037.737580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.737580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.737580 (E_RNA) where: Base-Base interactions energy: -1410.337 where: short stacking energy: -600.057 Base-Backbone interact. energy: 1.329 local terms energy: -628.729491 where: bonds (distance) C4'-P energy: -106.370 bonds (distance) P-C4' energy: -139.630 flat angles C4'-P-C4' energy: -126.869 flat angles P-C4'-P energy: -90.742 tors. eta vs tors. theta energy: -165.118 Dist. restrs. and SS energy: 0.000 (S_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: 361 Temperature: 0.900000 Total energy: -2698.152909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.152909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.152909 (E_RNA) where: Base-Base interactions energy: -1926.980 where: short stacking energy: -766.680 Base-Backbone interact. energy: -0.975 local terms energy: -770.197758 where: bonds (distance) C4'-P energy: -114.308 bonds (distance) P-C4' energy: -155.018 flat angles C4'-P-C4' energy: -162.807 flat angles P-C4'-P energy: -111.838 tors. eta vs tors. theta energy: -226.227 Dist. restrs. and SS energy: 0.000 (S_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: -2663.455457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.455457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.455457 (E_RNA) where: Base-Base interactions energy: -1896.325 where: short stacking energy: -750.337 Base-Backbone interact. energy: -1.682 local terms energy: -765.448387 where: bonds (distance) C4'-P energy: -118.531 bonds (distance) P-C4' energy: -152.902 flat angles C4'-P-C4' energy: -154.076 flat angles P-C4'-P energy: -112.090 tors. eta vs tors. theta energy: -227.849 Dist. restrs. and SS energy: 0.000 (S_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: 361 Temperature: 1.000000 Total energy: -2618.825547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.825547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.825547 (E_RNA) where: Base-Base interactions energy: -1860.368 where: short stacking energy: -752.608 Base-Backbone interact. energy: -2.487 local terms energy: -755.970863 where: bonds (distance) C4'-P energy: -120.229 bonds (distance) P-C4' energy: -143.526 flat angles C4'-P-C4' energy: -157.819 flat angles P-C4'-P energy: -108.837 tors. eta vs tors. theta energy: -225.559 Dist. restrs. and SS energy: 0.000 (S_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: 361 Temperature: 1.050000 Total energy: -2550.910564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.910564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.910564 (E_RNA) where: Base-Base interactions energy: -1792.021 where: short stacking energy: -727.303 Base-Backbone interact. energy: -1.127 local terms energy: -757.762392 where: bonds (distance) C4'-P energy: -111.790 bonds (distance) P-C4' energy: -150.359 flat angles C4'-P-C4' energy: -164.865 flat angles P-C4'-P energy: -107.373 tors. eta vs tors. theta energy: -223.376 Dist. restrs. and SS energy: 0.000 (S_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: 361 Temperature: 1.100000 Total energy: -2515.712737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.712737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.712737 (E_RNA) where: Base-Base interactions energy: -1779.238 where: short stacking energy: -723.165 Base-Backbone interact. energy: -1.743 local terms energy: -734.731286 where: bonds (distance) C4'-P energy: -124.902 bonds (distance) P-C4' energy: -141.246 flat angles C4'-P-C4' energy: -148.578 flat angles P-C4'-P energy: -97.114 tors. eta vs tors. theta energy: -222.890 Dist. restrs. and SS energy: 0.000 (S_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: 361 Temperature: 1.150000 Total energy: -2471.239774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.239774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.239774 (E_RNA) where: Base-Base interactions energy: -1740.030 where: short stacking energy: -691.115 Base-Backbone interact. energy: -2.656 local terms energy: -728.553368 where: bonds (distance) C4'-P energy: -108.202 bonds (distance) P-C4' energy: -146.634 flat angles C4'-P-C4' energy: -150.037 flat angles P-C4'-P energy: -105.146 tors. eta vs tors. theta energy: -218.534 Dist. restrs. and SS energy: 0.000 (S_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: -2373.504503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.504503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.504503 (E_RNA) where: Base-Base interactions energy: -1677.099 where: short stacking energy: -661.147 Base-Backbone interact. energy: -2.821 local terms energy: -693.584493 where: bonds (distance) C4'-P energy: -115.174 bonds (distance) P-C4' energy: -136.245 flat angles C4'-P-C4' energy: -147.865 flat angles P-C4'-P energy: -96.549 tors. eta vs tors. theta energy: -197.752 Dist. restrs. and SS energy: 0.000 (S_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: 361 Temperature: 1.250000 Total energy: -2276.272531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.272531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.272531 (E_RNA) where: Base-Base interactions energy: -1566.150 where: short stacking energy: -631.368 Base-Backbone interact. energy: -0.811 local terms energy: -709.311188 where: bonds (distance) C4'-P energy: -103.215 bonds (distance) P-C4' energy: -150.786 flat angles C4'-P-C4' energy: -152.088 flat angles P-C4'-P energy: -108.369 tors. eta vs tors. theta energy: -194.854 Dist. restrs. and SS energy: 0.000 (S_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: 361 Temperature: 1.300000 Total energy: -2244.796357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.796357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.796357 (E_RNA) where: Base-Base interactions energy: -1587.144 where: short stacking energy: -651.168 Base-Backbone interact. energy: -2.593 local terms energy: -655.059239 where: bonds (distance) C4'-P energy: -97.045 bonds (distance) P-C4' energy: -135.545 flat angles C4'-P-C4' energy: -148.304 flat angles P-C4'-P energy: -88.583 tors. eta vs tors. theta energy: -185.582 Dist. restrs. and SS energy: 0.000 (S_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: -1997.071359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.071359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.071359 (E_RNA) where: Base-Base interactions energy: -1378.499 where: short stacking energy: -579.219 Base-Backbone interact. energy: 0.287 local terms energy: -618.858799 where: bonds (distance) C4'-P energy: -99.438 bonds (distance) P-C4' energy: -147.157 flat angles C4'-P-C4' energy: -137.673 flat angles P-C4'-P energy: -75.026 tors. eta vs tors. theta energy: -159.565 Dist. restrs. and SS energy: 0.000 (S_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: -2695.613063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.613063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.613063 (E_RNA) where: Base-Base interactions energy: -1922.401 where: short stacking energy: -763.617 Base-Backbone interact. energy: -4.637 local terms energy: -768.575070 where: bonds (distance) C4'-P energy: -118.175 bonds (distance) P-C4' energy: -151.292 flat angles C4'-P-C4' energy: -158.369 flat angles P-C4'-P energy: -120.294 tors. eta vs tors. theta energy: -220.445 Dist. restrs. and SS energy: 0.000 (S_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: 362 Temperature: 0.950000 Total energy: -2666.502601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.502601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.502601 (E_RNA) where: Base-Base interactions energy: -1897.285 where: short stacking energy: -754.864 Base-Backbone interact. energy: -2.973 local terms energy: -766.245293 where: bonds (distance) C4'-P energy: -121.684 bonds (distance) P-C4' energy: -154.312 flat angles C4'-P-C4' energy: -156.044 flat angles P-C4'-P energy: -111.391 tors. eta vs tors. theta energy: -222.814 Dist. restrs. and SS energy: 0.000 (S_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: 362 Temperature: 1.000000 Total energy: -2616.061280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.061280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.061280 (E_RNA) where: Base-Base interactions energy: -1867.217 where: short stacking energy: -746.862 Base-Backbone interact. energy: -6.804 local terms energy: -742.039976 where: bonds (distance) C4'-P energy: -106.089 bonds (distance) P-C4' energy: -144.983 flat angles C4'-P-C4' energy: -154.740 flat angles P-C4'-P energy: -109.984 tors. eta vs tors. theta energy: -226.244 Dist. restrs. and SS energy: 0.000 (S_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: 362 Temperature: 1.050000 Total energy: -2545.066199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.066199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.066199 (E_RNA) where: Base-Base interactions energy: -1781.450 where: short stacking energy: -725.713 Base-Backbone interact. energy: -1.510 local terms energy: -762.106732 where: bonds (distance) C4'-P energy: -109.925 bonds (distance) P-C4' energy: -155.700 flat angles C4'-P-C4' energy: -160.937 flat angles P-C4'-P energy: -108.691 tors. eta vs tors. theta energy: -226.854 Dist. restrs. and SS energy: 0.000 (S_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: 362 Temperature: 1.100000 Total energy: -2490.250951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.250951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.250951 (E_RNA) where: Base-Base interactions energy: -1762.871 where: short stacking energy: -703.270 Base-Backbone interact. energy: 1.610 local terms energy: -728.989625 where: bonds (distance) C4'-P energy: -127.012 bonds (distance) P-C4' energy: -134.424 flat angles C4'-P-C4' energy: -149.549 flat angles P-C4'-P energy: -104.871 tors. eta vs tors. theta energy: -213.133 Dist. restrs. and SS energy: 0.000 (S_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: 362 Temperature: 1.150000 Total energy: -2453.568318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.568318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.568318 (E_RNA) where: Base-Base interactions energy: -1723.384 where: short stacking energy: -699.580 Base-Backbone interact. energy: -2.544 local terms energy: -727.639698 where: bonds (distance) C4'-P energy: -115.567 bonds (distance) P-C4' energy: -136.547 flat angles C4'-P-C4' energy: -151.477 flat angles P-C4'-P energy: -106.044 tors. eta vs tors. theta energy: -218.005 Dist. restrs. and SS energy: 0.000 (S_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: 362 Temperature: 1.200000 Total energy: -2390.961091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.961091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.961091 (E_RNA) where: Base-Base interactions energy: -1699.499 where: short stacking energy: -690.328 Base-Backbone interact. energy: -2.820 local terms energy: -688.642097 where: bonds (distance) C4'-P energy: -102.750 bonds (distance) P-C4' energy: -135.620 flat angles C4'-P-C4' energy: -145.709 flat angles P-C4'-P energy: -94.347 tors. eta vs tors. theta energy: -210.216 Dist. restrs. and SS energy: 0.000 (S_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: 362 Temperature: 1.250000 Total energy: -2292.860500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.860500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.860500 (E_RNA) where: Base-Base interactions energy: -1595.773 where: short stacking energy: -656.913 Base-Backbone interact. energy: 1.507 local terms energy: -698.594744 where: bonds (distance) C4'-P energy: -109.459 bonds (distance) P-C4' energy: -144.281 flat angles C4'-P-C4' energy: -144.359 flat angles P-C4'-P energy: -101.110 tors. eta vs tors. theta energy: -199.386 Dist. restrs. and SS energy: 0.000 (S_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: 362 Temperature: 1.300000 Total energy: -2267.893589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.893589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.893589 (E_RNA) where: Base-Base interactions energy: -1584.340 where: short stacking energy: -641.586 Base-Backbone interact. energy: -0.139 local terms energy: -683.414983 where: bonds (distance) C4'-P energy: -109.281 bonds (distance) P-C4' energy: -150.615 flat angles C4'-P-C4' energy: -139.298 flat angles P-C4'-P energy: -89.800 tors. eta vs tors. theta energy: -194.422 Dist. restrs. and SS energy: 0.000 (S_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: 362 Temperature: 1.350000 Total energy: -2016.746794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.746794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.746794 (E_RNA) where: Base-Base interactions energy: -1407.962 where: short stacking energy: -580.248 Base-Backbone interact. energy: -2.342 local terms energy: -606.442719 where: bonds (distance) C4'-P energy: -106.048 bonds (distance) P-C4' energy: -121.980 flat angles C4'-P-C4' energy: -138.011 flat angles P-C4'-P energy: -85.927 tors. eta vs tors. theta energy: -154.477 Dist. restrs. and SS energy: 0.000 (S_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: -2696.295278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.295278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.295278 (E_RNA) where: Base-Base interactions energy: -1898.429 where: short stacking energy: -748.085 Base-Backbone interact. energy: -7.690 local terms energy: -790.176041 where: bonds (distance) C4'-P energy: -126.367 bonds (distance) P-C4' energy: -155.739 flat angles C4'-P-C4' energy: -165.307 flat angles P-C4'-P energy: -114.936 tors. eta vs tors. theta energy: -227.828 Dist. restrs. and SS energy: 0.000 (S_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: 363 Temperature: 0.950000 Total energy: -2674.354718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.354718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.354718 (E_RNA) where: Base-Base interactions energy: -1907.452 where: short stacking energy: -756.557 Base-Backbone interact. energy: -3.864 local terms energy: -763.038259 where: bonds (distance) C4'-P energy: -111.603 bonds (distance) P-C4' energy: -152.332 flat angles C4'-P-C4' energy: -160.608 flat angles P-C4'-P energy: -113.186 tors. eta vs tors. theta energy: -225.309 Dist. restrs. and SS energy: 0.000 (S_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: 363 Temperature: 1.000000 Total energy: -2618.498141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.498141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.498141 (E_RNA) where: Base-Base interactions energy: -1855.824 where: short stacking energy: -762.504 Base-Backbone interact. energy: -3.070 local terms energy: -759.605027 where: bonds (distance) C4'-P energy: -116.129 bonds (distance) P-C4' energy: -139.203 flat angles C4'-P-C4' energy: -155.373 flat angles P-C4'-P energy: -116.220 tors. eta vs tors. theta energy: -232.680 Dist. restrs. and SS energy: 0.000 (S_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: 363 Temperature: 1.050000 Total energy: -2560.046766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.046766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.046766 (E_RNA) where: Base-Base interactions energy: -1803.453 where: short stacking energy: -745.505 Base-Backbone interact. energy: -2.340 local terms energy: -754.253964 where: bonds (distance) C4'-P energy: -116.876 bonds (distance) P-C4' energy: -146.985 flat angles C4'-P-C4' energy: -153.557 flat angles P-C4'-P energy: -105.068 tors. eta vs tors. theta energy: -231.768 Dist. restrs. and SS energy: 0.000 (S_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: -2467.844375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.844375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.844375 (E_RNA) where: Base-Base interactions energy: -1770.545 where: short stacking energy: -707.579 Base-Backbone interact. energy: -1.945 local terms energy: -695.354970 where: bonds (distance) C4'-P energy: -105.458 bonds (distance) P-C4' energy: -143.656 flat angles C4'-P-C4' energy: -144.938 flat angles P-C4'-P energy: -96.401 tors. eta vs tors. theta energy: -204.903 Dist. restrs. and SS energy: 0.000 (S_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: 363 Temperature: 1.150000 Total energy: -2455.405790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.405790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.405790 (E_RNA) where: Base-Base interactions energy: -1730.377 where: short stacking energy: -688.477 Base-Backbone interact. energy: -1.549 local terms energy: -723.478948 where: bonds (distance) C4'-P energy: -114.280 bonds (distance) P-C4' energy: -140.111 flat angles C4'-P-C4' energy: -155.994 flat angles P-C4'-P energy: -103.569 tors. eta vs tors. theta energy: -209.525 Dist. restrs. and SS energy: 0.000 (S_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: 363 Temperature: 1.200000 Total energy: -2377.313564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.313564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.313564 (E_RNA) where: Base-Base interactions energy: -1673.313 where: short stacking energy: -673.048 Base-Backbone interact. energy: -1.162 local terms energy: -702.838400 where: bonds (distance) C4'-P energy: -118.605 bonds (distance) P-C4' energy: -144.862 flat angles C4'-P-C4' energy: -151.609 flat angles P-C4'-P energy: -95.735 tors. eta vs tors. theta energy: -192.027 Dist. restrs. and SS energy: 0.000 (S_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: 363 Temperature: 1.250000 Total energy: -2272.418991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.418991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.418991 (E_RNA) where: Base-Base interactions energy: -1600.999 where: short stacking energy: -648.765 Base-Backbone interact. energy: -1.962 local terms energy: -669.457262 where: bonds (distance) C4'-P energy: -106.335 bonds (distance) P-C4' energy: -144.128 flat angles C4'-P-C4' energy: -137.636 flat angles P-C4'-P energy: -95.562 tors. eta vs tors. theta energy: -185.798 Dist. restrs. and SS energy: 0.000 (S_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: 363 Temperature: 1.300000 Total energy: -2266.724944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.724944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.724944 (E_RNA) where: Base-Base interactions energy: -1590.342 where: short stacking energy: -636.041 Base-Backbone interact. energy: 3.136 local terms energy: -679.519564 where: bonds (distance) C4'-P energy: -114.244 bonds (distance) P-C4' energy: -134.425 flat angles C4'-P-C4' energy: -147.497 flat angles P-C4'-P energy: -87.201 tors. eta vs tors. theta energy: -196.153 Dist. restrs. and SS energy: 0.000 (S_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: 363 Temperature: 1.350000 Total energy: -2037.549755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.549755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.549755 (E_RNA) where: Base-Base interactions energy: -1412.190 where: short stacking energy: -569.051 Base-Backbone interact. energy: -1.297 local terms energy: -624.062540 where: bonds (distance) C4'-P energy: -111.754 bonds (distance) P-C4' energy: -125.220 flat angles C4'-P-C4' energy: -142.411 flat angles P-C4'-P energy: -86.678 tors. eta vs tors. theta energy: -158.000 Dist. restrs. and SS energy: 0.000 (S_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: 364 Temperature: 0.900000 Total energy: -2722.024070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.024070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.024070 (E_RNA) where: Base-Base interactions energy: -1920.144 where: short stacking energy: -771.841 Base-Backbone interact. energy: -1.777 local terms energy: -800.102568 where: bonds (distance) C4'-P energy: -129.158 bonds (distance) P-C4' energy: -155.094 flat angles C4'-P-C4' energy: -165.113 flat angles P-C4'-P energy: -122.330 tors. eta vs tors. theta energy: -228.408 Dist. restrs. and SS energy: 0.000 (S_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: 364 Temperature: 0.950000 Total energy: -2662.928734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.928734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.928734 (E_RNA) where: Base-Base interactions energy: -1900.702 where: short stacking energy: -748.985 Base-Backbone interact. energy: -2.687 local terms energy: -759.540393 where: bonds (distance) C4'-P energy: -115.082 bonds (distance) P-C4' energy: -155.931 flat angles C4'-P-C4' energy: -158.480 flat angles P-C4'-P energy: -112.116 tors. eta vs tors. theta energy: -217.932 Dist. restrs. and SS energy: 0.000 (S_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: 364 Temperature: 1.000000 Total energy: -2610.751759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.751759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.751759 (E_RNA) where: Base-Base interactions energy: -1848.048 where: short stacking energy: -747.178 Base-Backbone interact. energy: -1.543 local terms energy: -761.160721 where: bonds (distance) C4'-P energy: -115.291 bonds (distance) P-C4' energy: -149.007 flat angles C4'-P-C4' energy: -151.455 flat angles P-C4'-P energy: -113.574 tors. eta vs tors. theta energy: -231.835 Dist. restrs. and SS energy: 0.000 (S_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: 364 Temperature: 1.050000 Total energy: -2588.848704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.848704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.848704 (E_RNA) where: Base-Base interactions energy: -1840.750 where: short stacking energy: -740.611 Base-Backbone interact. energy: -2.959 local terms energy: -745.139856 where: bonds (distance) C4'-P energy: -116.776 bonds (distance) P-C4' energy: -134.153 flat angles C4'-P-C4' energy: -161.991 flat angles P-C4'-P energy: -109.337 tors. eta vs tors. theta energy: -222.882 Dist. restrs. and SS energy: 0.000 (S_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: 364 Temperature: 1.100000 Total energy: -2506.797458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.797458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.797458 (E_RNA) where: Base-Base interactions energy: -1767.198 where: short stacking energy: -719.107 Base-Backbone interact. energy: -1.397 local terms energy: -738.203227 where: bonds (distance) C4'-P energy: -114.823 bonds (distance) P-C4' energy: -145.427 flat angles C4'-P-C4' energy: -147.830 flat angles P-C4'-P energy: -113.766 tors. eta vs tors. theta energy: -216.358 Dist. restrs. and SS energy: 0.000 (S_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: -2425.283064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.283064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.283064 (E_RNA) where: Base-Base interactions energy: -1722.742 where: short stacking energy: -689.073 Base-Backbone interact. energy: -0.886 local terms energy: -701.654748 where: bonds (distance) C4'-P energy: -106.261 bonds (distance) P-C4' energy: -141.809 flat angles C4'-P-C4' energy: -152.028 flat angles P-C4'-P energy: -104.922 tors. eta vs tors. theta energy: -196.636 Dist. restrs. and SS energy: 0.000 (S_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: 364 Temperature: 1.200000 Total energy: -2420.921455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.921455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.921455 (E_RNA) where: Base-Base interactions energy: -1712.055 where: short stacking energy: -698.826 Base-Backbone interact. energy: -0.861 local terms energy: -708.005414 where: bonds (distance) C4'-P energy: -114.564 bonds (distance) P-C4' energy: -127.855 flat angles C4'-P-C4' energy: -151.781 flat angles P-C4'-P energy: -107.616 tors. eta vs tors. theta energy: -206.189 Dist. restrs. and SS energy: 0.000 (S_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: -2253.651626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.651626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.651626 (E_RNA) where: Base-Base interactions energy: -1579.271 where: short stacking energy: -659.477 Base-Backbone interact. energy: -1.253 local terms energy: -673.128534 where: bonds (distance) C4'-P energy: -103.963 bonds (distance) P-C4' energy: -129.802 flat angles C4'-P-C4' energy: -149.951 flat angles P-C4'-P energy: -94.889 tors. eta vs tors. theta energy: -194.522 Dist. restrs. and SS energy: 0.000 (S_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: 364 Temperature: 1.300000 Total energy: -2277.081893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.081893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.081893 (E_RNA) where: Base-Base interactions energy: -1599.913 where: short stacking energy: -638.493 Base-Backbone interact. energy: -2.036 local terms energy: -675.132806 where: bonds (distance) C4'-P energy: -95.385 bonds (distance) P-C4' energy: -146.331 flat angles C4'-P-C4' energy: -145.509 flat angles P-C4'-P energy: -89.139 tors. eta vs tors. theta energy: -198.770 Dist. restrs. and SS energy: 0.000 (S_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: 364 Temperature: 1.350000 Total energy: -2083.177113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.177113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.177113 (E_RNA) where: Base-Base interactions energy: -1445.456 where: short stacking energy: -584.867 Base-Backbone interact. energy: -2.287 local terms energy: -635.434297 where: bonds (distance) C4'-P energy: -105.320 bonds (distance) P-C4' energy: -140.910 flat angles C4'-P-C4' energy: -147.672 flat angles P-C4'-P energy: -86.386 tors. eta vs tors. theta energy: -155.147 Dist. restrs. and SS energy: 0.000 (S_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: 365 Temperature: 0.900000 Total energy: -2702.414749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.414749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.414749 (E_RNA) where: Base-Base interactions energy: -1912.272 where: short stacking energy: -764.504 Base-Backbone interact. energy: -1.345 local terms energy: -788.797300 where: bonds (distance) C4'-P energy: -129.718 bonds (distance) P-C4' energy: -164.626 flat angles C4'-P-C4' energy: -159.908 flat angles P-C4'-P energy: -104.733 tors. eta vs tors. theta energy: -229.813 Dist. restrs. and SS energy: 0.000 (S_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: -2655.548377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.548377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.548377 (E_RNA) where: Base-Base interactions energy: -1887.948 where: short stacking energy: -752.016 Base-Backbone interact. energy: -0.085 local terms energy: -767.515610 where: bonds (distance) C4'-P energy: -119.357 bonds (distance) P-C4' energy: -155.620 flat angles C4'-P-C4' energy: -158.470 flat angles P-C4'-P energy: -111.239 tors. eta vs tors. theta energy: -222.830 Dist. restrs. and SS energy: 0.000 (S_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: 365 Temperature: 1.000000 Total energy: -2598.454287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.454287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.454287 (E_RNA) where: Base-Base interactions energy: -1840.239 where: short stacking energy: -751.055 Base-Backbone interact. energy: -1.842 local terms energy: -756.373024 where: bonds (distance) C4'-P energy: -120.047 bonds (distance) P-C4' energy: -139.618 flat angles C4'-P-C4' energy: -163.690 flat angles P-C4'-P energy: -103.590 tors. eta vs tors. theta energy: -229.428 Dist. restrs. and SS energy: 0.000 (S_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: -2576.581423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.581423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.581423 (E_RNA) where: Base-Base interactions energy: -1827.968 where: short stacking energy: -733.028 Base-Backbone interact. energy: -1.557 local terms energy: -747.055537 where: bonds (distance) C4'-P energy: -124.259 bonds (distance) P-C4' energy: -143.490 flat angles C4'-P-C4' energy: -156.097 flat angles P-C4'-P energy: -108.238 tors. eta vs tors. theta energy: -214.972 Dist. restrs. and SS energy: 0.000 (S_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: -2495.042662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.042662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.042662 (E_RNA) where: Base-Base interactions energy: -1746.863 where: short stacking energy: -719.906 Base-Backbone interact. energy: -0.820 local terms energy: -747.359805 where: bonds (distance) C4'-P energy: -124.852 bonds (distance) P-C4' energy: -137.724 flat angles C4'-P-C4' energy: -151.456 flat angles P-C4'-P energy: -113.205 tors. eta vs tors. theta energy: -220.122 Dist. restrs. and SS energy: 0.000 (S_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: 365 Temperature: 1.150000 Total energy: -2449.005289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.005289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.005289 (E_RNA) where: Base-Base interactions energy: -1738.475 where: short stacking energy: -710.400 Base-Backbone interact. energy: -1.419 local terms energy: -709.111458 where: bonds (distance) C4'-P energy: -114.664 bonds (distance) P-C4' energy: -138.506 flat angles C4'-P-C4' energy: -151.183 flat angles P-C4'-P energy: -95.919 tors. eta vs tors. theta energy: -208.839 Dist. restrs. and SS energy: 0.000 (S_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: -2399.567053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.567053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.567053 (E_RNA) where: Base-Base interactions energy: -1706.543 where: short stacking energy: -685.887 Base-Backbone interact. energy: -1.831 local terms energy: -691.193723 where: bonds (distance) C4'-P energy: -122.008 bonds (distance) P-C4' energy: -139.209 flat angles C4'-P-C4' energy: -138.422 flat angles P-C4'-P energy: -97.896 tors. eta vs tors. theta energy: -193.659 Dist. restrs. and SS energy: 0.000 (S_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: 365 Temperature: 1.250000 Total energy: -2292.997422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.997422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.997422 (E_RNA) where: Base-Base interactions energy: -1608.255 where: short stacking energy: -658.197 Base-Backbone interact. energy: -1.945 local terms energy: -682.797052 where: bonds (distance) C4'-P energy: -101.901 bonds (distance) P-C4' energy: -139.324 flat angles C4'-P-C4' energy: -143.535 flat angles P-C4'-P energy: -106.351 tors. eta vs tors. theta energy: -191.686 Dist. restrs. and SS energy: 0.000 (S_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: -2205.818280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.818280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.818280 (E_RNA) where: Base-Base interactions energy: -1543.341 where: short stacking energy: -635.038 Base-Backbone interact. energy: -0.313 local terms energy: -662.164555 where: bonds (distance) C4'-P energy: -103.997 bonds (distance) P-C4' energy: -141.237 flat angles C4'-P-C4' energy: -139.947 flat angles P-C4'-P energy: -93.165 tors. eta vs tors. theta energy: -183.818 Dist. restrs. and SS energy: 0.000 (S_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: 365 Temperature: 1.350000 Total energy: -2008.662619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.662619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.662619 (E_RNA) where: Base-Base interactions energy: -1366.878 where: short stacking energy: -567.731 Base-Backbone interact. energy: -2.011 local terms energy: -639.774272 where: bonds (distance) C4'-P energy: -103.321 bonds (distance) P-C4' energy: -127.602 flat angles C4'-P-C4' energy: -140.857 flat angles P-C4'-P energy: -97.241 tors. eta vs tors. theta energy: -170.753 Dist. restrs. and SS energy: 0.000 (S_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: 366 Temperature: 0.900000 Total energy: -2704.629166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.629166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.629166 (E_RNA) where: Base-Base interactions energy: -1925.009 where: short stacking energy: -762.320 Base-Backbone interact. energy: -2.897 local terms energy: -776.723337 where: bonds (distance) C4'-P energy: -122.161 bonds (distance) P-C4' energy: -150.801 flat angles C4'-P-C4' energy: -157.458 flat angles P-C4'-P energy: -116.753 tors. eta vs tors. theta energy: -229.551 Dist. restrs. and SS energy: 0.000 (S_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: 366 Temperature: 0.950000 Total energy: -2660.434320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.434320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.434320 (E_RNA) where: Base-Base interactions energy: -1896.972 where: short stacking energy: -756.447 Base-Backbone interact. energy: -1.664 local terms energy: -761.798064 where: bonds (distance) C4'-P energy: -108.422 bonds (distance) P-C4' energy: -163.745 flat angles C4'-P-C4' energy: -159.075 flat angles P-C4'-P energy: -111.153 tors. eta vs tors. theta energy: -219.404 Dist. restrs. and SS energy: 0.000 (S_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: 366 Temperature: 1.000000 Total energy: -2601.127573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.127573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.127573 (E_RNA) where: Base-Base interactions energy: -1843.857 where: short stacking energy: -754.070 Base-Backbone interact. energy: -2.144 local terms energy: -755.126339 where: bonds (distance) C4'-P energy: -107.930 bonds (distance) P-C4' energy: -142.421 flat angles C4'-P-C4' energy: -156.776 flat angles P-C4'-P energy: -110.562 tors. eta vs tors. theta energy: -237.438 Dist. restrs. and SS energy: 0.000 (S_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: 366 Temperature: 1.050000 Total energy: -2594.222840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.222840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.222840 (E_RNA) where: Base-Base interactions energy: -1840.068 where: short stacking energy: -733.610 Base-Backbone interact. energy: -1.604 local terms energy: -752.550836 where: bonds (distance) C4'-P energy: -115.333 bonds (distance) P-C4' energy: -149.798 flat angles C4'-P-C4' energy: -159.253 flat angles P-C4'-P energy: -110.006 tors. eta vs tors. theta energy: -218.162 Dist. restrs. and SS energy: 0.000 (S_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: 366 Temperature: 1.100000 Total energy: -2465.195348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.195348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.195348 (E_RNA) where: Base-Base interactions energy: -1731.237 where: short stacking energy: -714.191 Base-Backbone interact. energy: -2.847 local terms energy: -731.111108 where: bonds (distance) C4'-P energy: -115.442 bonds (distance) P-C4' energy: -144.823 flat angles C4'-P-C4' energy: -152.357 flat angles P-C4'-P energy: -106.774 tors. eta vs tors. theta energy: -211.715 Dist. restrs. and SS energy: 0.000 (S_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: 366 Temperature: 1.150000 Total energy: -2437.017848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.017848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.017848 (E_RNA) where: Base-Base interactions energy: -1730.059 where: short stacking energy: -697.526 Base-Backbone interact. energy: -1.609 local terms energy: -705.349358 where: bonds (distance) C4'-P energy: -111.363 bonds (distance) P-C4' energy: -122.403 flat angles C4'-P-C4' energy: -155.510 flat angles P-C4'-P energy: -107.626 tors. eta vs tors. theta energy: -208.448 Dist. restrs. and SS energy: 0.000 (S_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: 366 Temperature: 1.200000 Total energy: -2426.049614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.049614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.049614 (E_RNA) where: Base-Base interactions energy: -1732.209 where: short stacking energy: -691.464 Base-Backbone interact. energy: -0.368 local terms energy: -693.472744 where: bonds (distance) C4'-P energy: -105.899 bonds (distance) P-C4' energy: -139.885 flat angles C4'-P-C4' energy: -144.911 flat angles P-C4'-P energy: -110.589 tors. eta vs tors. theta energy: -192.189 Dist. restrs. and SS energy: 0.000 (S_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: 366 Temperature: 1.250000 Total energy: -2273.166131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.166131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.166131 (E_RNA) where: Base-Base interactions energy: -1573.702 where: short stacking energy: -655.927 Base-Backbone interact. energy: -2.323 local terms energy: -697.140636 where: bonds (distance) C4'-P energy: -121.848 bonds (distance) P-C4' energy: -131.968 flat angles C4'-P-C4' energy: -146.123 flat angles P-C4'-P energy: -110.097 tors. eta vs tors. theta energy: -187.103 Dist. restrs. and SS energy: 0.000 (S_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: 366 Temperature: 1.300000 Total energy: -2196.130886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.130886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.130886 (E_RNA) where: Base-Base interactions energy: -1540.603 where: short stacking energy: -608.016 Base-Backbone interact. energy: -1.620 local terms energy: -653.908037 where: bonds (distance) C4'-P energy: -108.274 bonds (distance) P-C4' energy: -132.584 flat angles C4'-P-C4' energy: -138.010 flat angles P-C4'-P energy: -93.070 tors. eta vs tors. theta energy: -181.970 Dist. restrs. and SS energy: 0.000 (S_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: 366 Temperature: 1.350000 Total energy: -2030.762287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.762287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.762287 (E_RNA) where: Base-Base interactions energy: -1385.523 where: short stacking energy: -566.508 Base-Backbone interact. energy: -1.945 local terms energy: -643.294481 where: bonds (distance) C4'-P energy: -117.959 bonds (distance) P-C4' energy: -136.886 flat angles C4'-P-C4' energy: -136.530 flat angles P-C4'-P energy: -93.916 tors. eta vs tors. theta energy: -158.004 Dist. restrs. and SS energy: 0.000 (S_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: 367 Temperature: 0.900000 Total energy: -2704.348747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.348747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.348747 (E_RNA) where: Base-Base interactions energy: -1926.758 where: short stacking energy: -770.684 Base-Backbone interact. energy: -3.058 local terms energy: -774.532825 where: bonds (distance) C4'-P energy: -118.048 bonds (distance) P-C4' energy: -157.520 flat angles C4'-P-C4' energy: -162.174 flat angles P-C4'-P energy: -111.757 tors. eta vs tors. theta energy: -225.034 Dist. restrs. and SS energy: 0.000 (S_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: 367 Temperature: 0.950000 Total energy: -2675.321696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.321696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.321696 (E_RNA) where: Base-Base interactions energy: -1891.740 where: short stacking energy: -755.259 Base-Backbone interact. energy: -4.090 local terms energy: -779.491787 where: bonds (distance) C4'-P energy: -121.895 bonds (distance) P-C4' energy: -161.716 flat angles C4'-P-C4' energy: -156.265 flat angles P-C4'-P energy: -114.493 tors. eta vs tors. theta energy: -225.123 Dist. restrs. and SS energy: 0.000 (S_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: 367 Temperature: 1.000000 Total energy: -2584.119227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.119227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.119227 (E_RNA) where: Base-Base interactions energy: -1831.237 where: short stacking energy: -734.522 Base-Backbone interact. energy: -2.928 local terms energy: -749.954976 where: bonds (distance) C4'-P energy: -123.622 bonds (distance) P-C4' energy: -140.970 flat angles C4'-P-C4' energy: -156.151 flat angles P-C4'-P energy: -100.200 tors. eta vs tors. theta energy: -229.012 Dist. restrs. and SS energy: 0.000 (S_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: 367 Temperature: 1.050000 Total energy: -2596.327722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.327722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.327722 (E_RNA) where: Base-Base interactions energy: -1854.288 where: short stacking energy: -742.853 Base-Backbone interact. energy: -3.242 local terms energy: -738.797735 where: bonds (distance) C4'-P energy: -113.182 bonds (distance) P-C4' energy: -148.757 flat angles C4'-P-C4' energy: -154.314 flat angles P-C4'-P energy: -100.941 tors. eta vs tors. theta energy: -221.604 Dist. restrs. and SS energy: 0.000 (S_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: 367 Temperature: 1.100000 Total energy: -2508.862591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.862591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.862591 (E_RNA) where: Base-Base interactions energy: -1763.898 where: short stacking energy: -713.252 Base-Backbone interact. energy: -2.653 local terms energy: -742.311645 where: bonds (distance) C4'-P energy: -109.395 bonds (distance) P-C4' energy: -148.289 flat angles C4'-P-C4' energy: -156.195 flat angles P-C4'-P energy: -110.753 tors. eta vs tors. theta energy: -217.679 Dist. restrs. and SS energy: 0.000 (S_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: 367 Temperature: 1.150000 Total energy: -2459.534808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.534808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.534808 (E_RNA) where: Base-Base interactions energy: -1731.971 where: short stacking energy: -712.272 Base-Backbone interact. energy: 0.071 local terms energy: -727.635028 where: bonds (distance) C4'-P energy: -103.427 bonds (distance) P-C4' energy: -153.889 flat angles C4'-P-C4' energy: -148.330 flat angles P-C4'-P energy: -111.094 tors. eta vs tors. theta energy: -210.894 Dist. restrs. and SS energy: 0.000 (S_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: 367 Temperature: 1.200000 Total energy: -2371.621800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.621800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.621800 (E_RNA) where: Base-Base interactions energy: -1695.350 where: short stacking energy: -676.707 Base-Backbone interact. energy: -5.289 local terms energy: -670.982858 where: bonds (distance) C4'-P energy: -97.836 bonds (distance) P-C4' energy: -142.433 flat angles C4'-P-C4' energy: -150.505 flat angles P-C4'-P energy: -90.884 tors. eta vs tors. theta energy: -189.325 Dist. restrs. and SS energy: 0.000 (S_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: 367 Temperature: 1.250000 Total energy: -2245.740932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.740932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.740932 (E_RNA) where: Base-Base interactions energy: -1576.757 where: short stacking energy: -634.564 Base-Backbone interact. energy: -3.574 local terms energy: -665.410107 where: bonds (distance) C4'-P energy: -111.468 bonds (distance) P-C4' energy: -128.985 flat angles C4'-P-C4' energy: -145.257 flat angles P-C4'-P energy: -101.065 tors. eta vs tors. theta energy: -178.634 Dist. restrs. and SS energy: 0.000 (S_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: 367 Temperature: 1.300000 Total energy: -2218.505634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.505634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.505634 (E_RNA) where: Base-Base interactions energy: -1542.404 where: short stacking energy: -623.359 Base-Backbone interact. energy: -1.484 local terms energy: -674.617245 where: bonds (distance) C4'-P energy: -99.334 bonds (distance) P-C4' energy: -126.975 flat angles C4'-P-C4' energy: -144.793 flat angles P-C4'-P energy: -117.685 tors. eta vs tors. theta energy: -185.831 Dist. restrs. and SS energy: 0.000 (S_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: 367 Temperature: 1.350000 Total energy: -2016.920469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.920469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.920469 (E_RNA) where: Base-Base interactions energy: -1362.579 where: short stacking energy: -562.976 Base-Backbone interact. energy: -1.688 local terms energy: -652.653511 where: bonds (distance) C4'-P energy: -106.148 bonds (distance) P-C4' energy: -136.984 flat angles C4'-P-C4' energy: -154.633 flat angles P-C4'-P energy: -98.169 tors. eta vs tors. theta energy: -156.720 Dist. restrs. and SS energy: 0.000 (S_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: 368 Temperature: 0.900000 Total energy: -2710.143027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.143027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.143027 (E_RNA) where: Base-Base interactions energy: -1910.050 where: short stacking energy: -749.319 Base-Backbone interact. energy: -0.495 local terms energy: -799.597941 where: bonds (distance) C4'-P energy: -123.481 bonds (distance) P-C4' energy: -163.398 flat angles C4'-P-C4' energy: -166.247 flat angles P-C4'-P energy: -120.622 tors. eta vs tors. theta energy: -225.850 Dist. restrs. and SS energy: 0.000 (S_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: -2668.113260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.113260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.113260 (E_RNA) where: Base-Base interactions energy: -1899.807 where: short stacking energy: -761.128 Base-Backbone interact. energy: 0.273 local terms energy: -768.579139 where: bonds (distance) C4'-P energy: -117.645 bonds (distance) P-C4' energy: -146.549 flat angles C4'-P-C4' energy: -163.743 flat angles P-C4'-P energy: -117.182 tors. eta vs tors. theta energy: -223.460 Dist. restrs. and SS energy: 0.000 (S_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: 368 Temperature: 1.000000 Total energy: -2597.462051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.462051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.462051 (E_RNA) where: Base-Base interactions energy: -1841.015 where: short stacking energy: -751.772 Base-Backbone interact. energy: 0.573 local terms energy: -757.020695 where: bonds (distance) C4'-P energy: -118.504 bonds (distance) P-C4' energy: -139.360 flat angles C4'-P-C4' energy: -156.825 flat angles P-C4'-P energy: -112.085 tors. eta vs tors. theta energy: -230.247 Dist. restrs. and SS energy: 0.000 (S_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: 368 Temperature: 1.050000 Total energy: -2618.293476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.293476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.293476 (E_RNA) where: Base-Base interactions energy: -1879.330 where: short stacking energy: -735.543 Base-Backbone interact. energy: 0.034 local terms energy: -738.996661 where: bonds (distance) C4'-P energy: -116.731 bonds (distance) P-C4' energy: -147.224 flat angles C4'-P-C4' energy: -142.580 flat angles P-C4'-P energy: -106.869 tors. eta vs tors. theta energy: -225.593 Dist. restrs. and SS energy: 0.000 (S_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: 368 Temperature: 1.100000 Total energy: -2498.121846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.121846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.121846 (E_RNA) where: Base-Base interactions energy: -1759.157 where: short stacking energy: -725.665 Base-Backbone interact. energy: -0.733 local terms energy: -738.231392 where: bonds (distance) C4'-P energy: -107.172 bonds (distance) P-C4' energy: -157.475 flat angles C4'-P-C4' energy: -146.438 flat angles P-C4'-P energy: -102.784 tors. eta vs tors. theta energy: -224.362 Dist. restrs. and SS energy: 0.000 (S_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: 368 Temperature: 1.150000 Total energy: -2477.158005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.158005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.158005 (E_RNA) where: Base-Base interactions energy: -1738.703 where: short stacking energy: -720.153 Base-Backbone interact. energy: -1.505 local terms energy: -736.949713 where: bonds (distance) C4'-P energy: -122.552 bonds (distance) P-C4' energy: -150.463 flat angles C4'-P-C4' energy: -143.673 flat angles P-C4'-P energy: -100.362 tors. eta vs tors. theta energy: -219.900 Dist. restrs. and SS energy: 0.000 (S_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: 368 Temperature: 1.200000 Total energy: -2359.273891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.273891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.273891 (E_RNA) where: Base-Base interactions energy: -1672.374 where: short stacking energy: -678.318 Base-Backbone interact. energy: 0.134 local terms energy: -687.033346 where: bonds (distance) C4'-P energy: -95.333 bonds (distance) P-C4' energy: -139.999 flat angles C4'-P-C4' energy: -145.359 flat angles P-C4'-P energy: -101.374 tors. eta vs tors. theta energy: -204.968 Dist. restrs. and SS energy: 0.000 (S_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: 368 Temperature: 1.250000 Total energy: -2252.061053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.061053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.061053 (E_RNA) where: Base-Base interactions energy: -1568.166 where: short stacking energy: -626.609 Base-Backbone interact. energy: -0.152 local terms energy: -683.742859 where: bonds (distance) C4'-P energy: -109.217 bonds (distance) P-C4' energy: -149.768 flat angles C4'-P-C4' energy: -147.494 flat angles P-C4'-P energy: -90.519 tors. eta vs tors. theta energy: -186.744 Dist. restrs. and SS energy: 0.000 (S_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: -2233.231088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.231088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.231088 (E_RNA) where: Base-Base interactions energy: -1581.930 where: short stacking energy: -633.772 Base-Backbone interact. energy: -0.628 local terms energy: -650.673300 where: bonds (distance) C4'-P energy: -107.488 bonds (distance) P-C4' energy: -138.465 flat angles C4'-P-C4' energy: -122.100 flat angles P-C4'-P energy: -99.530 tors. eta vs tors. theta energy: -183.090 Dist. restrs. and SS energy: 0.000 (S_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: 368 Temperature: 1.350000 Total energy: -2033.742508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.742508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.742508 (E_RNA) where: Base-Base interactions energy: -1405.024 where: short stacking energy: -561.209 Base-Backbone interact. energy: -1.445 local terms energy: -627.273917 where: bonds (distance) C4'-P energy: -111.952 bonds (distance) P-C4' energy: -117.794 flat angles C4'-P-C4' energy: -138.672 flat angles P-C4'-P energy: -95.056 tors. eta vs tors. theta energy: -163.799 Dist. restrs. and SS energy: 0.000 (S_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: 369 Temperature: 0.900000 Total energy: -2693.837157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.837157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.837157 (E_RNA) where: Base-Base interactions energy: -1925.520 where: short stacking energy: -771.481 Base-Backbone interact. energy: -1.758 local terms energy: -766.559778 where: bonds (distance) C4'-P energy: -129.300 bonds (distance) P-C4' energy: -152.255 flat angles C4'-P-C4' energy: -156.701 flat angles P-C4'-P energy: -105.854 tors. eta vs tors. theta energy: -222.448 Dist. restrs. and SS energy: 0.000 (S_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: 369 Temperature: 0.950000 Total energy: -2624.964877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.964877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.964877 (E_RNA) where: Base-Base interactions energy: -1846.568 where: short stacking energy: -765.904 Base-Backbone interact. energy: -1.447 local terms energy: -776.950245 where: bonds (distance) C4'-P energy: -120.106 bonds (distance) P-C4' energy: -154.664 flat angles C4'-P-C4' energy: -158.166 flat angles P-C4'-P energy: -111.347 tors. eta vs tors. theta energy: -232.666 Dist. restrs. and SS energy: 0.000 (S_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: -2630.707257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.707257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.707257 (E_RNA) where: Base-Base interactions energy: -1889.315 where: short stacking energy: -766.995 Base-Backbone interact. energy: -2.059 local terms energy: -739.332969 where: bonds (distance) C4'-P energy: -115.935 bonds (distance) P-C4' energy: -132.358 flat angles C4'-P-C4' energy: -158.989 flat angles P-C4'-P energy: -110.518 tors. eta vs tors. theta energy: -221.534 Dist. restrs. and SS energy: 0.000 (S_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: 369 Temperature: 1.050000 Total energy: -2601.482395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.482395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.482395 (E_RNA) where: Base-Base interactions energy: -1852.404 where: short stacking energy: -727.086 Base-Backbone interact. energy: -3.274 local terms energy: -745.804631 where: bonds (distance) C4'-P energy: -112.421 bonds (distance) P-C4' energy: -148.797 flat angles C4'-P-C4' energy: -156.855 flat angles P-C4'-P energy: -111.906 tors. eta vs tors. theta energy: -215.825 Dist. restrs. and SS energy: 0.000 (S_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: 369 Temperature: 1.100000 Total energy: -2519.819972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.819972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.819972 (E_RNA) where: Base-Base interactions energy: -1800.488 where: short stacking energy: -741.068 Base-Backbone interact. energy: 0.652 local terms energy: -719.984128 where: bonds (distance) C4'-P energy: -90.893 bonds (distance) P-C4' energy: -151.637 flat angles C4'-P-C4' energy: -150.691 flat angles P-C4'-P energy: -103.161 tors. eta vs tors. theta energy: -223.602 Dist. restrs. and SS energy: 0.000 (S_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: -2461.270913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.270913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.270913 (E_RNA) where: Base-Base interactions energy: -1727.154 where: short stacking energy: -695.969 Base-Backbone interact. energy: -0.638 local terms energy: -733.478867 where: bonds (distance) C4'-P energy: -120.966 bonds (distance) P-C4' energy: -138.817 flat angles C4'-P-C4' energy: -153.889 flat angles P-C4'-P energy: -103.467 tors. eta vs tors. theta energy: -216.340 Dist. restrs. and SS energy: 0.000 (S_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: 369 Temperature: 1.200000 Total energy: -2397.899664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.899664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.899664 (E_RNA) where: Base-Base interactions energy: -1698.315 where: short stacking energy: -689.223 Base-Backbone interact. energy: -1.158 local terms energy: -698.426486 where: bonds (distance) C4'-P energy: -124.600 bonds (distance) P-C4' energy: -128.802 flat angles C4'-P-C4' energy: -148.789 flat angles P-C4'-P energy: -98.231 tors. eta vs tors. theta energy: -198.005 Dist. restrs. and SS energy: 0.000 (S_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: -2264.563135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.563135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.563135 (E_RNA) where: Base-Base interactions energy: -1598.729 where: short stacking energy: -645.282 Base-Backbone interact. energy: -1.161 local terms energy: -664.672906 where: bonds (distance) C4'-P energy: -103.053 bonds (distance) P-C4' energy: -144.783 flat angles C4'-P-C4' energy: -134.265 flat angles P-C4'-P energy: -94.095 tors. eta vs tors. theta energy: -188.477 Dist. restrs. and SS energy: 0.000 (S_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: 369 Temperature: 1.300000 Total energy: -2182.527791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.527791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.527791 (E_RNA) where: Base-Base interactions energy: -1563.229 where: short stacking energy: -631.393 Base-Backbone interact. energy: 3.324 local terms energy: -622.622482 where: bonds (distance) C4'-P energy: -93.700 bonds (distance) P-C4' energy: -130.372 flat angles C4'-P-C4' energy: -134.427 flat angles P-C4'-P energy: -88.582 tors. eta vs tors. theta energy: -175.543 Dist. restrs. and SS energy: 0.000 (S_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: 369 Temperature: 1.350000 Total energy: -2039.337696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.337696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.337696 (E_RNA) where: Base-Base interactions energy: -1400.220 where: short stacking energy: -589.328 Base-Backbone interact. energy: -1.202 local terms energy: -637.915408 where: bonds (distance) C4'-P energy: -113.757 bonds (distance) P-C4' energy: -145.926 flat angles C4'-P-C4' energy: -121.300 flat angles P-C4'-P energy: -95.349 tors. eta vs tors. theta energy: -161.582 Dist. restrs. and SS energy: 0.000 (S_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: 370 Temperature: 0.900000 Total energy: -2697.518343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.518343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.518343 (E_RNA) where: Base-Base interactions energy: -1905.984 where: short stacking energy: -750.251 Base-Backbone interact. energy: -1.541 local terms energy: -789.992991 where: bonds (distance) C4'-P energy: -125.869 bonds (distance) P-C4' energy: -160.116 flat angles C4'-P-C4' energy: -165.990 flat angles P-C4'-P energy: -116.774 tors. eta vs tors. theta energy: -221.245 Dist. restrs. and SS energy: 0.000 (S_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: 370 Temperature: 0.950000 Total energy: -2627.016298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.016298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.016298 (E_RNA) where: Base-Base interactions energy: -1851.242 where: short stacking energy: -759.329 Base-Backbone interact. energy: -1.572 local terms energy: -774.201602 where: bonds (distance) C4'-P energy: -118.800 bonds (distance) P-C4' energy: -154.979 flat angles C4'-P-C4' energy: -159.971 flat angles P-C4'-P energy: -109.325 tors. eta vs tors. theta energy: -231.127 Dist. restrs. and SS energy: 0.000 (S_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: 370 Temperature: 1.000000 Total energy: -2631.542390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.542390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.542390 (E_RNA) where: Base-Base interactions energy: -1884.369 where: short stacking energy: -740.279 Base-Backbone interact. energy: -2.140 local terms energy: -745.033643 where: bonds (distance) C4'-P energy: -112.373 bonds (distance) P-C4' energy: -149.585 flat angles C4'-P-C4' energy: -155.022 flat angles P-C4'-P energy: -112.347 tors. eta vs tors. theta energy: -215.707 Dist. restrs. and SS energy: 0.000 (S_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: -2645.060186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.060186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.060186 (E_RNA) where: Base-Base interactions energy: -1878.260 where: short stacking energy: -752.815 Base-Backbone interact. energy: -3.352 local terms energy: -763.448096 where: bonds (distance) C4'-P energy: -105.691 bonds (distance) P-C4' energy: -157.393 flat angles C4'-P-C4' energy: -164.215 flat angles P-C4'-P energy: -110.706 tors. eta vs tors. theta energy: -225.443 Dist. restrs. and SS energy: 0.000 (S_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: 370 Temperature: 1.100000 Total energy: -2509.698819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.698819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.698819 (E_RNA) where: Base-Base interactions energy: -1785.544 where: short stacking energy: -725.971 Base-Backbone interact. energy: -1.249 local terms energy: -722.905268 where: bonds (distance) C4'-P energy: -115.310 bonds (distance) P-C4' energy: -133.353 flat angles C4'-P-C4' energy: -149.017 flat angles P-C4'-P energy: -112.070 tors. eta vs tors. theta energy: -213.154 Dist. restrs. and SS energy: 0.000 (S_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: 370 Temperature: 1.150000 Total energy: -2455.371618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.371618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.371618 (E_RNA) where: Base-Base interactions energy: -1725.751 where: short stacking energy: -706.424 Base-Backbone interact. energy: 0.786 local terms energy: -730.406748 where: bonds (distance) C4'-P energy: -118.035 bonds (distance) P-C4' energy: -142.774 flat angles C4'-P-C4' energy: -152.943 flat angles P-C4'-P energy: -107.112 tors. eta vs tors. theta energy: -209.543 Dist. restrs. and SS energy: 0.000 (S_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: 370 Temperature: 1.200000 Total energy: -2381.836342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.836342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.836342 (E_RNA) where: Base-Base interactions energy: -1697.843 where: short stacking energy: -696.500 Base-Backbone interact. energy: -1.598 local terms energy: -682.394508 where: bonds (distance) C4'-P energy: -109.274 bonds (distance) P-C4' energy: -116.010 flat angles C4'-P-C4' energy: -153.099 flat angles P-C4'-P energy: -101.123 tors. eta vs tors. theta energy: -202.888 Dist. restrs. and SS energy: 0.000 (S_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: 370 Temperature: 1.250000 Total energy: -2269.788484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.788484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.788484 (E_RNA) where: Base-Base interactions energy: -1609.899 where: short stacking energy: -649.413 Base-Backbone interact. energy: -0.729 local terms energy: -659.160575 where: bonds (distance) C4'-P energy: -101.856 bonds (distance) P-C4' energy: -140.195 flat angles C4'-P-C4' energy: -138.289 flat angles P-C4'-P energy: -89.614 tors. eta vs tors. theta energy: -189.207 Dist. restrs. and SS energy: 0.000 (S_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: 370 Temperature: 1.300000 Total energy: -2192.042051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.042051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.042051 (E_RNA) where: Base-Base interactions energy: -1546.067 where: short stacking energy: -633.212 Base-Backbone interact. energy: -0.436 local terms energy: -645.539138 where: bonds (distance) C4'-P energy: -97.103 bonds (distance) P-C4' energy: -135.438 flat angles C4'-P-C4' energy: -142.519 flat angles P-C4'-P energy: -95.453 tors. eta vs tors. theta energy: -175.027 Dist. restrs. and SS energy: 0.000 (S_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: 370 Temperature: 1.350000 Total energy: -2066.896488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.896488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.896488 (E_RNA) where: Base-Base interactions energy: -1438.595 where: short stacking energy: -588.929 Base-Backbone interact. energy: 1.006 local terms energy: -629.307591 where: bonds (distance) C4'-P energy: -95.029 bonds (distance) P-C4' energy: -150.239 flat angles C4'-P-C4' energy: -133.617 flat angles P-C4'-P energy: -93.009 tors. eta vs tors. theta energy: -157.414 Dist. restrs. and SS energy: 0.000 (S_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: 371 Temperature: 0.900000 Total energy: -2696.917850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.917850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.917850 (E_RNA) where: Base-Base interactions energy: -1918.327 where: short stacking energy: -751.306 Base-Backbone interact. energy: -0.299 local terms energy: -778.292379 where: bonds (distance) C4'-P energy: -120.338 bonds (distance) P-C4' energy: -148.049 flat angles C4'-P-C4' energy: -162.822 flat angles P-C4'-P energy: -123.132 tors. eta vs tors. theta energy: -223.952 Dist. restrs. and SS energy: 0.000 (S_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: 371 Temperature: 0.950000 Total energy: -2644.349829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.349829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.349829 (E_RNA) where: Base-Base interactions energy: -1879.844 where: short stacking energy: -743.145 Base-Backbone interact. energy: -4.028 local terms energy: -760.478741 where: bonds (distance) C4'-P energy: -126.359 bonds (distance) P-C4' energy: -149.188 flat angles C4'-P-C4' energy: -157.618 flat angles P-C4'-P energy: -112.631 tors. eta vs tors. theta energy: -214.683 Dist. restrs. and SS energy: 0.000 (S_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: 371 Temperature: 1.000000 Total energy: -2617.684265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.684265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.684265 (E_RNA) where: Base-Base interactions energy: -1848.570 where: short stacking energy: -754.138 Base-Backbone interact. energy: -2.809 local terms energy: -766.304896 where: bonds (distance) C4'-P energy: -123.220 bonds (distance) P-C4' energy: -152.865 flat angles C4'-P-C4' energy: -157.777 flat angles P-C4'-P energy: -100.039 tors. eta vs tors. theta energy: -232.403 Dist. restrs. and SS energy: 0.000 (S_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: 371 Temperature: 1.050000 Total energy: -2602.643239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.643239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.643239 (E_RNA) where: Base-Base interactions energy: -1856.577 where: short stacking energy: -741.502 Base-Backbone interact. energy: -0.755 local terms energy: -745.311070 where: bonds (distance) C4'-P energy: -115.075 bonds (distance) P-C4' energy: -147.961 flat angles C4'-P-C4' energy: -153.625 flat angles P-C4'-P energy: -106.548 tors. eta vs tors. theta energy: -222.102 Dist. restrs. and SS energy: 0.000 (S_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: 371 Temperature: 1.100000 Total energy: -2501.489577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.489577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.489577 (E_RNA) where: Base-Base interactions energy: -1793.138 where: short stacking energy: -728.868 Base-Backbone interact. energy: -0.989 local terms energy: -707.362866 where: bonds (distance) C4'-P energy: -106.612 bonds (distance) P-C4' energy: -136.688 flat angles C4'-P-C4' energy: -150.691 flat angles P-C4'-P energy: -104.941 tors. eta vs tors. theta energy: -208.431 Dist. restrs. and SS energy: 0.000 (S_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: 371 Temperature: 1.150000 Total energy: -2442.487834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.487834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.487834 (E_RNA) where: Base-Base interactions energy: -1727.851 where: short stacking energy: -710.213 Base-Backbone interact. energy: 0.618 local terms energy: -715.254788 where: bonds (distance) C4'-P energy: -118.259 bonds (distance) P-C4' energy: -144.783 flat angles C4'-P-C4' energy: -143.613 flat angles P-C4'-P energy: -107.013 tors. eta vs tors. theta energy: -201.587 Dist. restrs. and SS energy: 0.000 (S_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: 371 Temperature: 1.200000 Total energy: -2356.711620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.711620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.711620 (E_RNA) where: Base-Base interactions energy: -1653.035 where: short stacking energy: -662.271 Base-Backbone interact. energy: -1.479 local terms energy: -702.197182 where: bonds (distance) C4'-P energy: -121.451 bonds (distance) P-C4' energy: -131.745 flat angles C4'-P-C4' energy: -154.616 flat angles P-C4'-P energy: -96.157 tors. eta vs tors. theta energy: -198.229 Dist. restrs. and SS energy: 0.000 (S_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: 371 Temperature: 1.250000 Total energy: -2298.743617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.743617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.743617 (E_RNA) where: Base-Base interactions energy: -1606.682 where: short stacking energy: -640.758 Base-Backbone interact. energy: -0.165 local terms energy: -691.897330 where: bonds (distance) C4'-P energy: -114.553 bonds (distance) P-C4' energy: -141.932 flat angles C4'-P-C4' energy: -141.847 flat angles P-C4'-P energy: -98.462 tors. eta vs tors. theta energy: -195.103 Dist. restrs. and SS energy: 0.000 (S_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: 371 Temperature: 1.300000 Total energy: -2167.617411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.617411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.617411 (E_RNA) where: Base-Base interactions energy: -1511.573 where: short stacking energy: -617.171 Base-Backbone interact. energy: -0.558 local terms energy: -655.487050 where: bonds (distance) C4'-P energy: -114.829 bonds (distance) P-C4' energy: -139.707 flat angles C4'-P-C4' energy: -142.992 flat angles P-C4'-P energy: -81.411 tors. eta vs tors. theta energy: -176.548 Dist. restrs. and SS energy: 0.000 (S_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: 371 Temperature: 1.350000 Total energy: -2059.776293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.776293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.776293 (E_RNA) where: Base-Base interactions energy: -1429.679 where: short stacking energy: -574.327 Base-Backbone interact. energy: 5.061 local terms energy: -635.158331 where: bonds (distance) C4'-P energy: -106.530 bonds (distance) P-C4' energy: -153.707 flat angles C4'-P-C4' energy: -138.028 flat angles P-C4'-P energy: -82.128 tors. eta vs tors. theta energy: -154.766 Dist. restrs. and SS energy: 0.000 (S_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: 372 Temperature: 0.900000 Total energy: -2698.395078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.395078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.395078 (E_RNA) where: Base-Base interactions energy: -1921.889 where: short stacking energy: -759.650 Base-Backbone interact. energy: -2.933 local terms energy: -773.573051 where: bonds (distance) C4'-P energy: -124.235 bonds (distance) P-C4' energy: -150.010 flat angles C4'-P-C4' energy: -155.073 flat angles P-C4'-P energy: -117.041 tors. eta vs tors. theta energy: -227.214 Dist. restrs. and SS energy: 0.000 (S_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: 372 Temperature: 0.950000 Total energy: -2642.076398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.076398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.076398 (E_RNA) where: Base-Base interactions energy: -1882.942 where: short stacking energy: -744.342 Base-Backbone interact. energy: -1.310 local terms energy: -757.823695 where: bonds (distance) C4'-P energy: -120.704 bonds (distance) P-C4' energy: -153.156 flat angles C4'-P-C4' energy: -159.698 flat angles P-C4'-P energy: -104.835 tors. eta vs tors. theta energy: -219.431 Dist. restrs. and SS energy: 0.000 (S_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: 372 Temperature: 1.000000 Total energy: -2639.945967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.945967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.945967 (E_RNA) where: Base-Base interactions energy: -1881.519 where: short stacking energy: -753.386 Base-Backbone interact. energy: 0.617 local terms energy: -759.044238 where: bonds (distance) C4'-P energy: -120.250 bonds (distance) P-C4' energy: -152.048 flat angles C4'-P-C4' energy: -154.267 flat angles P-C4'-P energy: -113.039 tors. eta vs tors. theta energy: -219.441 Dist. restrs. and SS energy: 0.000 (S_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: 372 Temperature: 1.050000 Total energy: -2575.205184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.205184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.205184 (E_RNA) where: Base-Base interactions energy: -1814.941 where: short stacking energy: -760.568 Base-Backbone interact. energy: -2.325 local terms energy: -757.939393 where: bonds (distance) C4'-P energy: -122.473 bonds (distance) P-C4' energy: -144.680 flat angles C4'-P-C4' energy: -151.969 flat angles P-C4'-P energy: -111.092 tors. eta vs tors. theta energy: -227.725 Dist. restrs. and SS energy: 0.000 (S_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: 372 Temperature: 1.100000 Total energy: -2519.619326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.619326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.619326 (E_RNA) where: Base-Base interactions energy: -1779.718 where: short stacking energy: -715.135 Base-Backbone interact. energy: -1.224 local terms energy: -738.677570 where: bonds (distance) C4'-P energy: -112.909 bonds (distance) P-C4' energy: -152.589 flat angles C4'-P-C4' energy: -145.176 flat angles P-C4'-P energy: -105.081 tors. eta vs tors. theta energy: -222.922 Dist. restrs. and SS energy: 0.000 (S_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: 372 Temperature: 1.150000 Total energy: -2390.291988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.291988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.291988 (E_RNA) where: Base-Base interactions energy: -1683.824 where: short stacking energy: -669.244 Base-Backbone interact. energy: -1.801 local terms energy: -704.667312 where: bonds (distance) C4'-P energy: -115.180 bonds (distance) P-C4' energy: -153.643 flat angles C4'-P-C4' energy: -141.786 flat angles P-C4'-P energy: -94.659 tors. eta vs tors. theta energy: -199.399 Dist. restrs. and SS energy: 0.000 (S_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: -2361.243472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.243472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.243472 (E_RNA) where: Base-Base interactions energy: -1689.059 where: short stacking energy: -665.175 Base-Backbone interact. energy: -0.997 local terms energy: -671.187319 where: bonds (distance) C4'-P energy: -100.013 bonds (distance) P-C4' energy: -137.633 flat angles C4'-P-C4' energy: -148.993 flat angles P-C4'-P energy: -95.218 tors. eta vs tors. theta energy: -189.330 Dist. restrs. and SS energy: 0.000 (S_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: 372 Temperature: 1.250000 Total energy: -2273.643963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.643963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.643963 (E_RNA) where: Base-Base interactions energy: -1604.780 where: short stacking energy: -652.013 Base-Backbone interact. energy: -0.109 local terms energy: -668.755341 where: bonds (distance) C4'-P energy: -106.454 bonds (distance) P-C4' energy: -139.242 flat angles C4'-P-C4' energy: -137.603 flat angles P-C4'-P energy: -99.824 tors. eta vs tors. theta energy: -185.632 Dist. restrs. and SS energy: 0.000 (S_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: 372 Temperature: 1.300000 Total energy: -2250.496097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.496097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.496097 (E_RNA) where: Base-Base interactions energy: -1597.631 where: short stacking energy: -642.083 Base-Backbone interact. energy: -1.480 local terms energy: -651.385297 where: bonds (distance) C4'-P energy: -106.907 bonds (distance) P-C4' energy: -134.517 flat angles C4'-P-C4' energy: -140.873 flat angles P-C4'-P energy: -85.753 tors. eta vs tors. theta energy: -183.335 Dist. restrs. and SS energy: 0.000 (S_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: 372 Temperature: 1.350000 Total energy: -2074.107915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.107915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.107915 (E_RNA) where: Base-Base interactions energy: -1442.070 where: short stacking energy: -594.935 Base-Backbone interact. energy: -0.596 local terms energy: -631.441582 where: bonds (distance) C4'-P energy: -110.170 bonds (distance) P-C4' energy: -130.855 flat angles C4'-P-C4' energy: -140.898 flat angles P-C4'-P energy: -87.027 tors. eta vs tors. theta energy: -162.493 Dist. restrs. and SS energy: 0.000 (S_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: 373 Temperature: 0.900000 Total energy: -2691.954968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.954968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.954968 (E_RNA) where: Base-Base interactions energy: -1904.473 where: short stacking energy: -740.540 Base-Backbone interact. energy: -2.452 local terms energy: -785.029320 where: bonds (distance) C4'-P energy: -124.762 bonds (distance) P-C4' energy: -162.777 flat angles C4'-P-C4' energy: -161.271 flat angles P-C4'-P energy: -111.286 tors. eta vs tors. theta energy: -224.933 Dist. restrs. and SS energy: 0.000 (S_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: 373 Temperature: 0.950000 Total energy: -2663.011957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.011957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.011957 (E_RNA) where: Base-Base interactions energy: -1896.580 where: short stacking energy: -746.822 Base-Backbone interact. energy: -1.858 local terms energy: -764.574587 where: bonds (distance) C4'-P energy: -114.434 bonds (distance) P-C4' energy: -151.319 flat angles C4'-P-C4' energy: -156.273 flat angles P-C4'-P energy: -115.640 tors. eta vs tors. theta energy: -226.909 Dist. restrs. and SS energy: 0.000 (S_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: 373 Temperature: 1.000000 Total energy: -2635.684744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.684744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.684744 (E_RNA) where: Base-Base interactions energy: -1896.613 where: short stacking energy: -747.509 Base-Backbone interact. energy: -2.852 local terms energy: -736.219801 where: bonds (distance) C4'-P energy: -125.573 bonds (distance) P-C4' energy: -135.236 flat angles C4'-P-C4' energy: -152.983 flat angles P-C4'-P energy: -102.590 tors. eta vs tors. theta energy: -219.837 Dist. restrs. and SS energy: 0.000 (S_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: 373 Temperature: 1.050000 Total energy: -2565.068016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.068016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.068016 (E_RNA) where: Base-Base interactions energy: -1822.206 where: short stacking energy: -733.175 Base-Backbone interact. energy: -0.503 local terms energy: -742.358708 where: bonds (distance) C4'-P energy: -113.599 bonds (distance) P-C4' energy: -143.336 flat angles C4'-P-C4' energy: -152.595 flat angles P-C4'-P energy: -111.007 tors. eta vs tors. theta energy: -221.822 Dist. restrs. and SS energy: 0.000 (S_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: 373 Temperature: 1.100000 Total energy: -2548.323886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.323886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.323886 (E_RNA) where: Base-Base interactions energy: -1807.719 where: short stacking energy: -751.683 Base-Backbone interact. energy: 1.032 local terms energy: -741.637419 where: bonds (distance) C4'-P energy: -98.741 bonds (distance) P-C4' energy: -153.690 flat angles C4'-P-C4' energy: -151.766 flat angles P-C4'-P energy: -113.957 tors. eta vs tors. theta energy: -223.482 Dist. restrs. and SS energy: 0.000 (S_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: 373 Temperature: 1.150000 Total energy: -2416.165787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.165787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.165787 (E_RNA) where: Base-Base interactions energy: -1705.667 where: short stacking energy: -687.384 Base-Backbone interact. energy: -1.050 local terms energy: -709.448146 where: bonds (distance) C4'-P energy: -100.750 bonds (distance) P-C4' energy: -138.733 flat angles C4'-P-C4' energy: -161.838 flat angles P-C4'-P energy: -104.790 tors. eta vs tors. theta energy: -203.338 Dist. restrs. and SS energy: 0.000 (S_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: 373 Temperature: 1.200000 Total energy: -2349.135517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.135517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.135517 (E_RNA) where: Base-Base interactions energy: -1652.818 where: short stacking energy: -667.484 Base-Backbone interact. energy: -1.446 local terms energy: -694.871334 where: bonds (distance) C4'-P energy: -106.729 bonds (distance) P-C4' energy: -133.988 flat angles C4'-P-C4' energy: -149.841 flat angles P-C4'-P energy: -106.316 tors. eta vs tors. theta energy: -197.997 Dist. restrs. and SS energy: 0.000 (S_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: 373 Temperature: 1.250000 Total energy: -2260.051091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.051091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.051091 (E_RNA) where: Base-Base interactions energy: -1589.892 where: short stacking energy: -639.908 Base-Backbone interact. energy: -1.975 local terms energy: -668.183794 where: bonds (distance) C4'-P energy: -107.067 bonds (distance) P-C4' energy: -148.965 flat angles C4'-P-C4' energy: -139.237 flat angles P-C4'-P energy: -85.226 tors. eta vs tors. theta energy: -187.688 Dist. restrs. and SS energy: 0.000 (S_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: 373 Temperature: 1.300000 Total energy: -2207.793842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.793842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.793842 (E_RNA) where: Base-Base interactions energy: -1545.666 where: short stacking energy: -630.087 Base-Backbone interact. energy: -2.704 local terms energy: -659.423886 where: bonds (distance) C4'-P energy: -97.414 bonds (distance) P-C4' energy: -143.929 flat angles C4'-P-C4' energy: -147.027 flat angles P-C4'-P energy: -87.009 tors. eta vs tors. theta energy: -184.046 Dist. restrs. and SS energy: 0.000 (S_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: 373 Temperature: 1.350000 Total energy: -2051.906039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.906039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.906039 (E_RNA) where: Base-Base interactions energy: -1418.877 where: short stacking energy: -551.330 Base-Backbone interact. energy: -0.380 local terms energy: -632.648687 where: bonds (distance) C4'-P energy: -110.018 bonds (distance) P-C4' energy: -149.029 flat angles C4'-P-C4' energy: -130.683 flat angles P-C4'-P energy: -81.888 tors. eta vs tors. theta energy: -161.030 Dist. restrs. and SS energy: 0.000 (S_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: 374 Temperature: 0.900000 Total energy: -2709.431624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.431624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.431624 (E_RNA) where: Base-Base interactions energy: -1923.904 where: short stacking energy: -758.878 Base-Backbone interact. energy: -1.460 local terms energy: -784.068184 where: bonds (distance) C4'-P energy: -120.694 bonds (distance) P-C4' energy: -154.135 flat angles C4'-P-C4' energy: -162.678 flat angles P-C4'-P energy: -117.263 tors. eta vs tors. theta energy: -229.298 Dist. restrs. and SS energy: 0.000 (S_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: 374 Temperature: 0.950000 Total energy: -2672.313695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.313695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.313695 (E_RNA) where: Base-Base interactions energy: -1914.944 where: short stacking energy: -756.749 Base-Backbone interact. energy: -3.062 local terms energy: -754.308064 where: bonds (distance) C4'-P energy: -118.866 bonds (distance) P-C4' energy: -143.905 flat angles C4'-P-C4' energy: -155.054 flat angles P-C4'-P energy: -114.955 tors. eta vs tors. theta energy: -221.528 Dist. restrs. and SS energy: 0.000 (S_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: 374 Temperature: 1.000000 Total energy: -2639.304581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.304581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.304581 (E_RNA) where: Base-Base interactions energy: -1894.449 where: short stacking energy: -744.516 Base-Backbone interact. energy: 1.165 local terms energy: -746.021083 where: bonds (distance) C4'-P energy: -120.075 bonds (distance) P-C4' energy: -142.316 flat angles C4'-P-C4' energy: -154.828 flat angles P-C4'-P energy: -110.113 tors. eta vs tors. theta energy: -218.689 Dist. restrs. and SS energy: 0.000 (S_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: 374 Temperature: 1.050000 Total energy: -2567.823986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.823986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.823986 (E_RNA) where: Base-Base interactions energy: -1794.756 where: short stacking energy: -726.812 Base-Backbone interact. energy: -2.418 local terms energy: -770.649939 where: bonds (distance) C4'-P energy: -117.219 bonds (distance) P-C4' energy: -153.120 flat angles C4'-P-C4' energy: -163.738 flat angles P-C4'-P energy: -114.195 tors. eta vs tors. theta energy: -222.377 Dist. restrs. and SS energy: 0.000 (S_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: 374 Temperature: 1.100000 Total energy: -2554.071716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.071716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.071716 (E_RNA) where: Base-Base interactions energy: -1819.391 where: short stacking energy: -738.113 Base-Backbone interact. energy: -1.041 local terms energy: -733.639660 where: bonds (distance) C4'-P energy: -110.722 bonds (distance) P-C4' energy: -128.499 flat angles C4'-P-C4' energy: -150.910 flat angles P-C4'-P energy: -115.449 tors. eta vs tors. theta energy: -228.059 Dist. restrs. and SS energy: 0.000 (S_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: 374 Temperature: 1.150000 Total energy: -2437.328321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.328321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.328321 (E_RNA) where: Base-Base interactions energy: -1738.524 where: short stacking energy: -694.437 Base-Backbone interact. energy: -1.506 local terms energy: -697.298839 where: bonds (distance) C4'-P energy: -103.395 bonds (distance) P-C4' energy: -146.002 flat angles C4'-P-C4' energy: -152.281 flat angles P-C4'-P energy: -91.851 tors. eta vs tors. theta energy: -203.769 Dist. restrs. and SS energy: 0.000 (S_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: 374 Temperature: 1.200000 Total energy: -2363.863732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.863732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.863732 (E_RNA) where: Base-Base interactions energy: -1654.170 where: short stacking energy: -652.693 Base-Backbone interact. energy: -1.117 local terms energy: -708.576600 where: bonds (distance) C4'-P energy: -124.304 bonds (distance) P-C4' energy: -141.521 flat angles C4'-P-C4' energy: -147.739 flat angles P-C4'-P energy: -101.187 tors. eta vs tors. theta energy: -193.825 Dist. restrs. and SS energy: 0.000 (S_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: 374 Temperature: 1.250000 Total energy: -2252.498844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.498844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.498844 (E_RNA) where: Base-Base interactions energy: -1592.225 where: short stacking energy: -659.032 Base-Backbone interact. energy: -1.269 local terms energy: -659.005063 where: bonds (distance) C4'-P energy: -101.210 bonds (distance) P-C4' energy: -129.513 flat angles C4'-P-C4' energy: -139.979 flat angles P-C4'-P energy: -98.941 tors. eta vs tors. theta energy: -189.362 Dist. restrs. and SS energy: 0.000 (S_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: 374 Temperature: 1.300000 Total energy: -2070.017497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.017497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.017497 (E_RNA) where: Base-Base interactions energy: -1419.081 where: short stacking energy: -585.992 Base-Backbone interact. energy: 0.685 local terms energy: -651.622069 where: bonds (distance) C4'-P energy: -106.437 bonds (distance) P-C4' energy: -146.082 flat angles C4'-P-C4' energy: -141.737 flat angles P-C4'-P energy: -96.189 tors. eta vs tors. theta energy: -161.177 Dist. restrs. and SS energy: 0.000 (S_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: 374 Temperature: 1.350000 Total energy: -2213.727793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.727793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.727793 (E_RNA) where: Base-Base interactions energy: -1553.770 where: short stacking energy: -630.750 Base-Backbone interact. energy: 0.477 local terms energy: -660.434373 where: bonds (distance) C4'-P energy: -112.126 bonds (distance) P-C4' energy: -140.348 flat angles C4'-P-C4' energy: -137.836 flat angles P-C4'-P energy: -92.111 tors. eta vs tors. theta energy: -178.013 Dist. restrs. and SS energy: 0.000 (S_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: 375 Temperature: 0.900000 Total energy: -2696.774907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.774907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.774907 (E_RNA) where: Base-Base interactions energy: -1917.229 where: short stacking energy: -744.702 Base-Backbone interact. energy: 1.644 local terms energy: -781.190481 where: bonds (distance) C4'-P energy: -129.117 bonds (distance) P-C4' energy: -158.951 flat angles C4'-P-C4' energy: -155.963 flat angles P-C4'-P energy: -115.479 tors. eta vs tors. theta energy: -221.680 Dist. restrs. and SS energy: 0.000 (S_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: 375 Temperature: 0.950000 Total energy: -2660.821277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.821277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.821277 (E_RNA) where: Base-Base interactions energy: -1909.875 where: short stacking energy: -753.958 Base-Backbone interact. energy: -4.005 local terms energy: -746.941907 where: bonds (distance) C4'-P energy: -105.007 bonds (distance) P-C4' energy: -155.282 flat angles C4'-P-C4' energy: -158.802 flat angles P-C4'-P energy: -108.619 tors. eta vs tors. theta energy: -219.232 Dist. restrs. and SS energy: 0.000 (S_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: 375 Temperature: 1.000000 Total energy: -2659.398052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.398052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.398052 (E_RNA) where: Base-Base interactions energy: -1886.323 where: short stacking energy: -755.308 Base-Backbone interact. energy: -1.177 local terms energy: -771.898640 where: bonds (distance) C4'-P energy: -120.597 bonds (distance) P-C4' energy: -155.174 flat angles C4'-P-C4' energy: -161.637 flat angles P-C4'-P energy: -113.378 tors. eta vs tors. theta energy: -221.112 Dist. restrs. and SS energy: 0.000 (S_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: 375 Temperature: 1.050000 Total energy: -2555.791260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.791260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.791260 (E_RNA) where: Base-Base interactions energy: -1804.910 where: short stacking energy: -735.143 Base-Backbone interact. energy: -1.165 local terms energy: -749.716372 where: bonds (distance) C4'-P energy: -115.321 bonds (distance) P-C4' energy: -143.495 flat angles C4'-P-C4' energy: -162.361 flat angles P-C4'-P energy: -108.569 tors. eta vs tors. theta energy: -219.971 Dist. restrs. and SS energy: 0.000 (S_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: 375 Temperature: 1.100000 Total energy: -2524.420914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.420914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.420914 (E_RNA) where: Base-Base interactions energy: -1757.722 where: short stacking energy: -710.917 Base-Backbone interact. energy: -0.861 local terms energy: -765.838182 where: bonds (distance) C4'-P energy: -125.715 bonds (distance) P-C4' energy: -159.156 flat angles C4'-P-C4' energy: -152.148 flat angles P-C4'-P energy: -108.848 tors. eta vs tors. theta energy: -219.970 Dist. restrs. and SS energy: 0.000 (S_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: 375 Temperature: 1.150000 Total energy: -2401.851935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.851935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.851935 (E_RNA) where: Base-Base interactions energy: -1694.060 where: short stacking energy: -686.339 Base-Backbone interact. energy: -2.549 local terms energy: -705.243053 where: bonds (distance) C4'-P energy: -106.950 bonds (distance) P-C4' energy: -152.325 flat angles C4'-P-C4' energy: -149.805 flat angles P-C4'-P energy: -86.923 tors. eta vs tors. theta energy: -209.240 Dist. restrs. and SS energy: 0.000 (S_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: 375 Temperature: 1.200000 Total energy: -2402.822581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.822581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.822581 (E_RNA) where: Base-Base interactions energy: -1702.936 where: short stacking energy: -698.419 Base-Backbone interact. energy: -0.924 local terms energy: -698.961905 where: bonds (distance) C4'-P energy: -97.417 bonds (distance) P-C4' energy: -150.354 flat angles C4'-P-C4' energy: -145.167 flat angles P-C4'-P energy: -100.081 tors. eta vs tors. theta energy: -205.943 Dist. restrs. and SS energy: 0.000 (S_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: 375 Temperature: 1.250000 Total energy: -2266.028964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.028964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.028964 (E_RNA) where: Base-Base interactions energy: -1579.001 where: short stacking energy: -644.182 Base-Backbone interact. energy: -1.762 local terms energy: -685.265272 where: bonds (distance) C4'-P energy: -114.419 bonds (distance) P-C4' energy: -148.488 flat angles C4'-P-C4' energy: -138.843 flat angles P-C4'-P energy: -95.108 tors. eta vs tors. theta energy: -188.407 Dist. restrs. and SS energy: 0.000 (S_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: 375 Temperature: 1.300000 Total energy: -2074.942742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.942742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.942742 (E_RNA) where: Base-Base interactions energy: -1430.544 where: short stacking energy: -593.654 Base-Backbone interact. energy: -0.234 local terms energy: -644.164839 where: bonds (distance) C4'-P energy: -108.348 bonds (distance) P-C4' energy: -133.498 flat angles C4'-P-C4' energy: -135.818 flat angles P-C4'-P energy: -97.183 tors. eta vs tors. theta energy: -169.317 Dist. restrs. and SS energy: 0.000 (S_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: 375 Temperature: 1.350000 Total energy: -2219.618733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.618733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.618733 (E_RNA) where: Base-Base interactions energy: -1559.885 where: short stacking energy: -635.992 Base-Backbone interact. energy: 1.550 local terms energy: -661.283977 where: bonds (distance) C4'-P energy: -112.608 bonds (distance) P-C4' energy: -139.751 flat angles C4'-P-C4' energy: -139.839 flat angles P-C4'-P energy: -93.855 tors. eta vs tors. theta energy: -175.230 Dist. restrs. and SS energy: 0.000 (S_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: 376 Temperature: 0.900000 Total energy: -2689.865493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.865493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.865493 (E_RNA) where: Base-Base interactions energy: -1915.529 where: short stacking energy: -754.288 Base-Backbone interact. energy: -2.789 local terms energy: -771.547462 where: bonds (distance) C4'-P energy: -125.531 bonds (distance) P-C4' energy: -155.383 flat angles C4'-P-C4' energy: -161.942 flat angles P-C4'-P energy: -106.282 tors. eta vs tors. theta energy: -222.409 Dist. restrs. and SS energy: 0.000 (S_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: 376 Temperature: 0.950000 Total energy: -2668.842457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.842457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.842457 (E_RNA) where: Base-Base interactions energy: -1890.742 where: short stacking energy: -761.171 Base-Backbone interact. energy: -2.737 local terms energy: -775.363416 where: bonds (distance) C4'-P energy: -112.771 bonds (distance) P-C4' energy: -157.523 flat angles C4'-P-C4' energy: -160.394 flat angles P-C4'-P energy: -116.663 tors. eta vs tors. theta energy: -228.013 Dist. restrs. and SS energy: 0.000 (S_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: 376 Temperature: 1.000000 Total energy: -2643.646280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.646280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.646280 (E_RNA) where: Base-Base interactions energy: -1889.720 where: short stacking energy: -766.677 Base-Backbone interact. energy: -0.921 local terms energy: -753.005159 where: bonds (distance) C4'-P energy: -104.828 bonds (distance) P-C4' energy: -149.127 flat angles C4'-P-C4' energy: -159.456 flat angles P-C4'-P energy: -110.716 tors. eta vs tors. theta energy: -228.877 Dist. restrs. and SS energy: 0.000 (S_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: -2559.277488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.277488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.277488 (E_RNA) where: Base-Base interactions energy: -1798.436 where: short stacking energy: -748.057 Base-Backbone interact. energy: -0.628 local terms energy: -760.212912 where: bonds (distance) C4'-P energy: -119.858 bonds (distance) P-C4' energy: -144.002 flat angles C4'-P-C4' energy: -161.626 flat angles P-C4'-P energy: -104.108 tors. eta vs tors. theta energy: -230.619 Dist. restrs. and SS energy: 0.000 (S_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: -2524.161619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.161619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.161619 (E_RNA) where: Base-Base interactions energy: -1809.687 where: short stacking energy: -732.263 Base-Backbone interact. energy: -2.147 local terms energy: -712.327936 where: bonds (distance) C4'-P energy: -111.697 bonds (distance) P-C4' energy: -123.081 flat angles C4'-P-C4' energy: -151.000 flat angles P-C4'-P energy: -100.355 tors. eta vs tors. theta energy: -226.195 Dist. restrs. and SS energy: 0.000 (S_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: 376 Temperature: 1.150000 Total energy: -2430.814999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.814999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.814999 (E_RNA) where: Base-Base interactions energy: -1717.431 where: short stacking energy: -679.467 Base-Backbone interact. energy: -0.525 local terms energy: -712.858329 where: bonds (distance) C4'-P energy: -119.168 bonds (distance) P-C4' energy: -146.110 flat angles C4'-P-C4' energy: -152.081 flat angles P-C4'-P energy: -95.414 tors. eta vs tors. theta energy: -200.086 Dist. restrs. and SS energy: 0.000 (S_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: 376 Temperature: 1.200000 Total energy: -2398.514064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.514064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.514064 (E_RNA) where: Base-Base interactions energy: -1705.347 where: short stacking energy: -682.688 Base-Backbone interact. energy: -0.056 local terms energy: -693.110959 where: bonds (distance) C4'-P energy: -108.668 bonds (distance) P-C4' energy: -139.392 flat angles C4'-P-C4' energy: -138.713 flat angles P-C4'-P energy: -98.074 tors. eta vs tors. theta energy: -208.264 Dist. restrs. and SS energy: 0.000 (S_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: 376 Temperature: 1.250000 Total energy: -2282.189308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.189308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.189308 (E_RNA) where: Base-Base interactions energy: -1594.508 where: short stacking energy: -634.969 Base-Backbone interact. energy: -1.073 local terms energy: -686.608500 where: bonds (distance) C4'-P energy: -113.242 bonds (distance) P-C4' energy: -140.917 flat angles C4'-P-C4' energy: -146.319 flat angles P-C4'-P energy: -99.719 tors. eta vs tors. theta energy: -186.411 Dist. restrs. and SS energy: 0.000 (S_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: 376 Temperature: 1.300000 Total energy: -2235.984923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.984923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.984923 (E_RNA) where: Base-Base interactions energy: -1571.401 where: short stacking energy: -630.245 Base-Backbone interact. energy: 4.383 local terms energy: -668.967540 where: bonds (distance) C4'-P energy: -107.697 bonds (distance) P-C4' energy: -147.367 flat angles C4'-P-C4' energy: -133.361 flat angles P-C4'-P energy: -95.384 tors. eta vs tors. theta energy: -185.158 Dist. restrs. and SS energy: 0.000 (S_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: 376 Temperature: 1.350000 Total energy: -2024.897680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.897680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.897680 (E_RNA) where: Base-Base interactions energy: -1412.423 where: short stacking energy: -585.152 Base-Backbone interact. energy: -1.353 local terms energy: -611.121129 where: bonds (distance) C4'-P energy: -91.695 bonds (distance) P-C4' energy: -131.411 flat angles C4'-P-C4' energy: -131.757 flat angles P-C4'-P energy: -87.847 tors. eta vs tors. theta energy: -168.410 Dist. restrs. and SS energy: 0.000 (S_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: 377 Temperature: 0.900000 Total energy: -2692.322690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.322690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.322690 (E_RNA) where: Base-Base interactions energy: -1915.943 where: short stacking energy: -744.839 Base-Backbone interact. energy: -1.528 local terms energy: -774.851496 where: bonds (distance) C4'-P energy: -127.038 bonds (distance) P-C4' energy: -158.548 flat angles C4'-P-C4' energy: -158.093 flat angles P-C4'-P energy: -112.022 tors. eta vs tors. theta energy: -219.151 Dist. restrs. and SS energy: 0.000 (S_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: 377 Temperature: 0.950000 Total energy: -2668.519977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.519977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.519977 (E_RNA) where: Base-Base interactions energy: -1881.286 where: short stacking energy: -768.040 Base-Backbone interact. energy: -1.425 local terms energy: -785.808157 where: bonds (distance) C4'-P energy: -124.414 bonds (distance) P-C4' energy: -156.838 flat angles C4'-P-C4' energy: -156.350 flat angles P-C4'-P energy: -115.977 tors. eta vs tors. theta energy: -232.228 Dist. restrs. and SS energy: 0.000 (S_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: 377 Temperature: 1.000000 Total energy: -2648.272812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.272812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.272812 (E_RNA) where: Base-Base interactions energy: -1876.373 where: short stacking energy: -748.304 Base-Backbone interact. energy: -2.971 local terms energy: -768.929716 where: bonds (distance) C4'-P energy: -125.622 bonds (distance) P-C4' energy: -146.715 flat angles C4'-P-C4' energy: -157.813 flat angles P-C4'-P energy: -115.686 tors. eta vs tors. theta energy: -223.094 Dist. restrs. and SS energy: 0.000 (S_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: 377 Temperature: 1.050000 Total energy: -2587.644588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.644588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.644588 (E_RNA) where: Base-Base interactions energy: -1832.591 where: short stacking energy: -732.842 Base-Backbone interact. energy: -3.838 local terms energy: -751.215722 where: bonds (distance) C4'-P energy: -127.138 bonds (distance) P-C4' energy: -142.902 flat angles C4'-P-C4' energy: -152.434 flat angles P-C4'-P energy: -108.757 tors. eta vs tors. theta energy: -219.985 Dist. restrs. and SS energy: 0.000 (S_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: 377 Temperature: 1.100000 Total energy: -2504.198313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.198313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.198313 (E_RNA) where: Base-Base interactions energy: -1778.828 where: short stacking energy: -722.582 Base-Backbone interact. energy: -1.114 local terms energy: -724.256291 where: bonds (distance) C4'-P energy: -102.510 bonds (distance) P-C4' energy: -152.581 flat angles C4'-P-C4' energy: -153.155 flat angles P-C4'-P energy: -97.042 tors. eta vs tors. theta energy: -218.969 Dist. restrs. and SS energy: 0.000 (S_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: 377 Temperature: 1.150000 Total energy: -2408.609399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.609399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.609399 (E_RNA) where: Base-Base interactions energy: -1724.508 where: short stacking energy: -702.122 Base-Backbone interact. energy: -3.047 local terms energy: -681.054952 where: bonds (distance) C4'-P energy: -85.171 bonds (distance) P-C4' energy: -141.476 flat angles C4'-P-C4' energy: -157.366 flat angles P-C4'-P energy: -100.381 tors. eta vs tors. theta energy: -196.660 Dist. restrs. and SS energy: 0.000 (S_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: 377 Temperature: 1.200000 Total energy: -2386.732411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.732411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.732411 (E_RNA) where: Base-Base interactions energy: -1684.642 where: short stacking energy: -683.355 Base-Backbone interact. energy: 1.431 local terms energy: -703.520720 where: bonds (distance) C4'-P energy: -118.452 bonds (distance) P-C4' energy: -142.984 flat angles C4'-P-C4' energy: -142.324 flat angles P-C4'-P energy: -103.475 tors. eta vs tors. theta energy: -196.286 Dist. restrs. and SS energy: 0.000 (S_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: -2296.951490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.951490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.951490 (E_RNA) where: Base-Base interactions energy: -1618.262 where: short stacking energy: -655.287 Base-Backbone interact. energy: 1.718 local terms energy: -680.407050 where: bonds (distance) C4'-P energy: -104.562 bonds (distance) P-C4' energy: -142.700 flat angles C4'-P-C4' energy: -152.764 flat angles P-C4'-P energy: -93.570 tors. eta vs tors. theta energy: -186.811 Dist. restrs. and SS energy: 0.000 (S_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: 377 Temperature: 1.300000 Total energy: -2207.677365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.677365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.677365 (E_RNA) where: Base-Base interactions energy: -1537.105 where: short stacking energy: -641.619 Base-Backbone interact. energy: 1.233 local terms energy: -671.805626 where: bonds (distance) C4'-P energy: -109.917 bonds (distance) P-C4' energy: -141.586 flat angles C4'-P-C4' energy: -143.879 flat angles P-C4'-P energy: -92.530 tors. eta vs tors. theta energy: -183.894 Dist. restrs. and SS energy: 0.000 (S_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: 377 Temperature: 1.350000 Total energy: -2062.195375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.195375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.195375 (E_RNA) where: Base-Base interactions energy: -1410.529 where: short stacking energy: -584.675 Base-Backbone interact. energy: -0.336 local terms energy: -651.330212 where: bonds (distance) C4'-P energy: -105.905 bonds (distance) P-C4' energy: -142.160 flat angles C4'-P-C4' energy: -143.536 flat angles P-C4'-P energy: -95.831 tors. eta vs tors. theta energy: -163.897 Dist. restrs. and SS energy: 0.000 (S_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: 378 Temperature: 0.900000 Total energy: -2685.150491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.150491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.150491 (E_RNA) where: Base-Base interactions energy: -1915.984 where: short stacking energy: -765.449 Base-Backbone interact. energy: -3.918 local terms energy: -765.248291 where: bonds (distance) C4'-P energy: -118.316 bonds (distance) P-C4' energy: -152.345 flat angles C4'-P-C4' energy: -155.352 flat angles P-C4'-P energy: -108.011 tors. eta vs tors. theta energy: -231.224 Dist. restrs. and SS energy: 0.000 (S_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: 378 Temperature: 0.950000 Total energy: -2692.126483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.126483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.126483 (E_RNA) where: Base-Base interactions energy: -1912.192 where: short stacking energy: -776.803 Base-Backbone interact. energy: -2.659 local terms energy: -777.275769 where: bonds (distance) C4'-P energy: -111.371 bonds (distance) P-C4' energy: -153.753 flat angles C4'-P-C4' energy: -162.672 flat angles P-C4'-P energy: -114.927 tors. eta vs tors. theta energy: -234.552 Dist. restrs. and SS energy: 0.000 (S_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: 378 Temperature: 1.000000 Total energy: -2645.040187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.040187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.040187 (E_RNA) where: Base-Base interactions energy: -1883.255 where: short stacking energy: -747.439 Base-Backbone interact. energy: -4.547 local terms energy: -757.237493 where: bonds (distance) C4'-P energy: -117.586 bonds (distance) P-C4' energy: -148.774 flat angles C4'-P-C4' energy: -161.801 flat angles P-C4'-P energy: -105.961 tors. eta vs tors. theta energy: -223.115 Dist. restrs. and SS energy: 0.000 (S_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: 378 Temperature: 1.050000 Total energy: -2550.686045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.686045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.686045 (E_RNA) where: Base-Base interactions energy: -1800.285 where: short stacking energy: -714.846 Base-Backbone interact. energy: -2.235 local terms energy: -748.166678 where: bonds (distance) C4'-P energy: -119.655 bonds (distance) P-C4' energy: -151.443 flat angles C4'-P-C4' energy: -153.910 flat angles P-C4'-P energy: -110.322 tors. eta vs tors. theta energy: -212.837 Dist. restrs. and SS energy: 0.000 (S_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: 378 Temperature: 1.100000 Total energy: -2506.741110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.741110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.741110 (E_RNA) where: Base-Base interactions energy: -1771.474 where: short stacking energy: -728.153 Base-Backbone interact. energy: -1.817 local terms energy: -733.449703 where: bonds (distance) C4'-P energy: -113.687 bonds (distance) P-C4' energy: -139.837 flat angles C4'-P-C4' energy: -160.537 flat angles P-C4'-P energy: -100.279 tors. eta vs tors. theta energy: -219.110 Dist. restrs. and SS energy: 0.000 (S_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: 378 Temperature: 1.150000 Total energy: -2421.124881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.124881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.124881 (E_RNA) where: Base-Base interactions energy: -1686.639 where: short stacking energy: -677.233 Base-Backbone interact. energy: -2.041 local terms energy: -732.444781 where: bonds (distance) C4'-P energy: -118.555 bonds (distance) P-C4' energy: -143.782 flat angles C4'-P-C4' energy: -159.758 flat angles P-C4'-P energy: -113.033 tors. eta vs tors. theta energy: -197.317 Dist. restrs. and SS energy: 0.000 (S_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: -2332.642120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.642120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.642120 (E_RNA) where: Base-Base interactions energy: -1645.121 where: short stacking energy: -666.442 Base-Backbone interact. energy: -0.225 local terms energy: -687.295864 where: bonds (distance) C4'-P energy: -94.125 bonds (distance) P-C4' energy: -150.826 flat angles C4'-P-C4' energy: -144.110 flat angles P-C4'-P energy: -97.819 tors. eta vs tors. theta energy: -200.415 Dist. restrs. and SS energy: 0.000 (S_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: 378 Temperature: 1.250000 Total energy: -2307.047131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.047131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.047131 (E_RNA) where: Base-Base interactions energy: -1634.547 where: short stacking energy: -641.353 Base-Backbone interact. energy: -1.442 local terms energy: -671.057537 where: bonds (distance) C4'-P energy: -111.922 bonds (distance) P-C4' energy: -139.375 flat angles C4'-P-C4' energy: -139.590 flat angles P-C4'-P energy: -97.465 tors. eta vs tors. theta energy: -182.705 Dist. restrs. and SS energy: 0.000 (S_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: 378 Temperature: 1.300000 Total energy: -2201.241104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.241104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.241104 (E_RNA) where: Base-Base interactions energy: -1522.855 where: short stacking energy: -640.044 Base-Backbone interact. energy: 0.027 local terms energy: -678.413522 where: bonds (distance) C4'-P energy: -107.300 bonds (distance) P-C4' energy: -141.534 flat angles C4'-P-C4' energy: -150.967 flat angles P-C4'-P energy: -86.565 tors. eta vs tors. theta energy: -192.048 Dist. restrs. and SS energy: 0.000 (S_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: 378 Temperature: 1.350000 Total energy: -2028.691241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.691241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.691241 (E_RNA) where: Base-Base interactions energy: -1406.628 where: short stacking energy: -567.440 Base-Backbone interact. energy: -2.863 local terms energy: -619.200420 where: bonds (distance) C4'-P energy: -108.743 bonds (distance) P-C4' energy: -146.028 flat angles C4'-P-C4' energy: -127.863 flat angles P-C4'-P energy: -76.579 tors. eta vs tors. theta energy: -159.988 Dist. restrs. and SS energy: 0.000 (S_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: 379 Temperature: 0.900000 Total energy: -2705.719774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.719774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.719774 (E_RNA) where: Base-Base interactions energy: -1939.539 where: short stacking energy: -782.044 Base-Backbone interact. energy: -1.370 local terms energy: -764.810832 where: bonds (distance) C4'-P energy: -131.248 bonds (distance) P-C4' energy: -145.995 flat angles C4'-P-C4' energy: -155.235 flat angles P-C4'-P energy: -104.265 tors. eta vs tors. theta energy: -228.068 Dist. restrs. and SS energy: 0.000 (S_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: 379 Temperature: 0.950000 Total energy: -2681.122804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.122804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.122804 (E_RNA) where: Base-Base interactions energy: -1912.825 where: short stacking energy: -755.583 Base-Backbone interact. energy: -3.116 local terms energy: -765.181685 where: bonds (distance) C4'-P energy: -112.180 bonds (distance) P-C4' energy: -150.041 flat angles C4'-P-C4' energy: -155.057 flat angles P-C4'-P energy: -120.624 tors. eta vs tors. theta energy: -227.280 Dist. restrs. and SS energy: 0.000 (S_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: 379 Temperature: 1.000000 Total energy: -2632.424924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.424924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.424924 (E_RNA) where: Base-Base interactions energy: -1866.631 where: short stacking energy: -743.147 Base-Backbone interact. energy: -2.100 local terms energy: -763.694145 where: bonds (distance) C4'-P energy: -117.194 bonds (distance) P-C4' energy: -143.410 flat angles C4'-P-C4' energy: -163.482 flat angles P-C4'-P energy: -113.563 tors. eta vs tors. theta energy: -226.045 Dist. restrs. and SS energy: 0.000 (S_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: 379 Temperature: 1.050000 Total energy: -2575.093164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.093164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.093164 (E_RNA) where: Base-Base interactions energy: -1812.028 where: short stacking energy: -740.354 Base-Backbone interact. energy: -1.834 local terms energy: -761.230965 where: bonds (distance) C4'-P energy: -128.317 bonds (distance) P-C4' energy: -135.825 flat angles C4'-P-C4' energy: -159.335 flat angles P-C4'-P energy: -105.722 tors. eta vs tors. theta energy: -232.032 Dist. restrs. and SS energy: 0.000 (S_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: 379 Temperature: 1.100000 Total energy: -2516.597004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.597004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.597004 (E_RNA) where: Base-Base interactions energy: -1782.915 where: short stacking energy: -724.422 Base-Backbone interact. energy: -2.367 local terms energy: -731.314440 where: bonds (distance) C4'-P energy: -111.546 bonds (distance) P-C4' energy: -144.099 flat angles C4'-P-C4' energy: -157.875 flat angles P-C4'-P energy: -99.304 tors. eta vs tors. theta energy: -218.490 Dist. restrs. and SS energy: 0.000 (S_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: 379 Temperature: 1.150000 Total energy: -2405.410412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.410412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.410412 (E_RNA) where: Base-Base interactions energy: -1707.133 where: short stacking energy: -687.092 Base-Backbone interact. energy: -1.778 local terms energy: -696.498720 where: bonds (distance) C4'-P energy: -112.812 bonds (distance) P-C4' energy: -140.347 flat angles C4'-P-C4' energy: -151.144 flat angles P-C4'-P energy: -93.379 tors. eta vs tors. theta energy: -198.818 Dist. restrs. and SS energy: 0.000 (S_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: 379 Temperature: 1.200000 Total energy: -2372.880832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.880832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.880832 (E_RNA) where: Base-Base interactions energy: -1690.024 where: short stacking energy: -692.302 Base-Backbone interact. energy: -2.747 local terms energy: -680.109079 where: bonds (distance) C4'-P energy: -96.205 bonds (distance) P-C4' energy: -133.757 flat angles C4'-P-C4' energy: -146.239 flat angles P-C4'-P energy: -99.270 tors. eta vs tors. theta energy: -204.639 Dist. restrs. and SS energy: 0.000 (S_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: 379 Temperature: 1.250000 Total energy: -2311.088729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.088729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.088729 (E_RNA) where: Base-Base interactions energy: -1644.296 where: short stacking energy: -658.731 Base-Backbone interact. energy: -0.465 local terms energy: -666.327770 where: bonds (distance) C4'-P energy: -103.145 bonds (distance) P-C4' energy: -129.142 flat angles C4'-P-C4' energy: -151.478 flat angles P-C4'-P energy: -87.984 tors. eta vs tors. theta energy: -194.579 Dist. restrs. and SS energy: 0.000 (S_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: 379 Temperature: 1.300000 Total energy: -2214.096558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.096558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.096558 (E_RNA) where: Base-Base interactions energy: -1558.030 where: short stacking energy: -622.269 Base-Backbone interact. energy: -1.751 local terms energy: -654.314771 where: bonds (distance) C4'-P energy: -98.708 bonds (distance) P-C4' energy: -136.733 flat angles C4'-P-C4' energy: -147.246 flat angles P-C4'-P energy: -92.400 tors. eta vs tors. theta energy: -179.227 Dist. restrs. and SS energy: 0.000 (S_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: 379 Temperature: 1.350000 Total energy: -2060.157444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.157444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.157444 (E_RNA) where: Base-Base interactions energy: -1418.365 where: short stacking energy: -579.861 Base-Backbone interact. energy: -0.207 local terms energy: -641.585012 where: bonds (distance) C4'-P energy: -92.610 bonds (distance) P-C4' energy: -130.611 flat angles C4'-P-C4' energy: -148.556 flat angles P-C4'-P energy: -103.087 tors. eta vs tors. theta energy: -166.721 Dist. restrs. and SS energy: 0.000 (S_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: 380 Temperature: 0.900000 Total energy: -2687.673004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.673004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.673004 (E_RNA) where: Base-Base interactions energy: -1920.197 where: short stacking energy: -757.929 Base-Backbone interact. energy: -2.172 local terms energy: -765.304433 where: bonds (distance) C4'-P energy: -116.195 bonds (distance) P-C4' energy: -158.275 flat angles C4'-P-C4' energy: -152.351 flat angles P-C4'-P energy: -111.222 tors. eta vs tors. theta energy: -227.261 Dist. restrs. and SS energy: 0.000 (S_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: 380 Temperature: 0.950000 Total energy: -2660.529113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.529113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.529113 (E_RNA) where: Base-Base interactions energy: -1877.460 where: short stacking energy: -736.805 Base-Backbone interact. energy: -3.967 local terms energy: -779.102374 where: bonds (distance) C4'-P energy: -122.743 bonds (distance) P-C4' energy: -152.555 flat angles C4'-P-C4' energy: -164.548 flat angles P-C4'-P energy: -111.501 tors. eta vs tors. theta energy: -227.756 Dist. restrs. and SS energy: 0.000 (S_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: 380 Temperature: 1.000000 Total energy: -2639.151766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.151766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.151766 (E_RNA) where: Base-Base interactions energy: -1858.597 where: short stacking energy: -740.904 Base-Backbone interact. energy: -3.170 local terms energy: -777.384723 where: bonds (distance) C4'-P energy: -114.999 bonds (distance) P-C4' energy: -158.659 flat angles C4'-P-C4' energy: -161.195 flat angles P-C4'-P energy: -106.581 tors. eta vs tors. theta energy: -235.952 Dist. restrs. and SS energy: 0.000 (S_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: 380 Temperature: 1.050000 Total energy: -2577.532101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.532101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.532101 (E_RNA) where: Base-Base interactions energy: -1824.925 where: short stacking energy: -738.035 Base-Backbone interact. energy: -1.572 local terms energy: -751.035102 where: bonds (distance) C4'-P energy: -109.254 bonds (distance) P-C4' energy: -155.076 flat angles C4'-P-C4' energy: -160.079 flat angles P-C4'-P energy: -100.088 tors. eta vs tors. theta energy: -226.539 Dist. restrs. and SS energy: 0.000 (S_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: 380 Temperature: 1.100000 Total energy: -2514.039868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.039868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.039868 (E_RNA) where: Base-Base interactions energy: -1793.600 where: short stacking energy: -711.710 Base-Backbone interact. energy: 0.949 local terms energy: -721.388809 where: bonds (distance) C4'-P energy: -110.584 bonds (distance) P-C4' energy: -136.262 flat angles C4'-P-C4' energy: -151.897 flat angles P-C4'-P energy: -112.156 tors. eta vs tors. theta energy: -210.491 Dist. restrs. and SS energy: 0.000 (S_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: 380 Temperature: 1.150000 Total energy: -2421.392536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.392536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.392536 (E_RNA) where: Base-Base interactions energy: -1716.110 where: short stacking energy: -705.885 Base-Backbone interact. energy: -2.642 local terms energy: -702.640571 where: bonds (distance) C4'-P energy: -109.907 bonds (distance) P-C4' energy: -145.635 flat angles C4'-P-C4' energy: -141.915 flat angles P-C4'-P energy: -99.671 tors. eta vs tors. theta energy: -205.513 Dist. restrs. and SS energy: 0.000 (S_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: 380 Temperature: 1.200000 Total energy: -2362.844661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.844661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.844661 (E_RNA) where: Base-Base interactions energy: -1669.871 where: short stacking energy: -678.339 Base-Backbone interact. energy: -1.301 local terms energy: -691.672295 where: bonds (distance) C4'-P energy: -121.982 bonds (distance) P-C4' energy: -132.795 flat angles C4'-P-C4' energy: -140.467 flat angles P-C4'-P energy: -93.674 tors. eta vs tors. theta energy: -202.755 Dist. restrs. and SS energy: 0.000 (S_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: 380 Temperature: 1.250000 Total energy: -2289.771356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.771356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.771356 (E_RNA) where: Base-Base interactions energy: -1618.572 where: short stacking energy: -674.783 Base-Backbone interact. energy: 0.046 local terms energy: -671.245271 where: bonds (distance) C4'-P energy: -94.888 bonds (distance) P-C4' energy: -143.745 flat angles C4'-P-C4' energy: -148.641 flat angles P-C4'-P energy: -101.931 tors. eta vs tors. theta energy: -182.041 Dist. restrs. and SS energy: 0.000 (S_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: 380 Temperature: 1.300000 Total energy: -2195.215540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.215540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.215540 (E_RNA) where: Base-Base interactions energy: -1543.246 where: short stacking energy: -632.079 Base-Backbone interact. energy: 2.446 local terms energy: -654.414976 where: bonds (distance) C4'-P energy: -118.502 bonds (distance) P-C4' energy: -118.425 flat angles C4'-P-C4' energy: -143.521 flat angles P-C4'-P energy: -96.694 tors. eta vs tors. theta energy: -177.272 Dist. restrs. and SS energy: 0.000 (S_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: -2095.249222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.249222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.249222 (E_RNA) where: Base-Base interactions energy: -1448.553 where: short stacking energy: -604.282 Base-Backbone interact. energy: -3.783 local terms energy: -642.913918 where: bonds (distance) C4'-P energy: -110.468 bonds (distance) P-C4' energy: -132.375 flat angles C4'-P-C4' energy: -141.412 flat angles P-C4'-P energy: -84.332 tors. eta vs tors. theta energy: -174.326 Dist. restrs. and SS energy: 0.000 (S_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: 381 Temperature: 0.900000 Total energy: -2701.549379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.549379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.549379 (E_RNA) where: Base-Base interactions energy: -1924.459 where: short stacking energy: -756.992 Base-Backbone interact. energy: -1.625 local terms energy: -775.465060 where: bonds (distance) C4'-P energy: -122.744 bonds (distance) P-C4' energy: -152.801 flat angles C4'-P-C4' energy: -156.873 flat angles P-C4'-P energy: -117.562 tors. eta vs tors. theta energy: -225.484 Dist. restrs. and SS energy: 0.000 (S_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: 381 Temperature: 0.950000 Total energy: -2666.049451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.049451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.049451 (E_RNA) where: Base-Base interactions energy: -1891.630 where: short stacking energy: -745.176 Base-Backbone interact. energy: -2.336 local terms energy: -772.083307 where: bonds (distance) C4'-P energy: -122.889 bonds (distance) P-C4' energy: -152.339 flat angles C4'-P-C4' energy: -158.037 flat angles P-C4'-P energy: -112.082 tors. eta vs tors. theta energy: -226.736 Dist. restrs. and SS energy: 0.000 (S_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: 381 Temperature: 1.000000 Total energy: -2629.853700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.853700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.853700 (E_RNA) where: Base-Base interactions energy: -1875.896 where: short stacking energy: -746.751 Base-Backbone interact. energy: -1.746 local terms energy: -752.211282 where: bonds (distance) C4'-P energy: -118.025 bonds (distance) P-C4' energy: -148.629 flat angles C4'-P-C4' energy: -165.449 flat angles P-C4'-P energy: -100.073 tors. eta vs tors. theta energy: -220.035 Dist. restrs. and SS energy: 0.000 (S_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: 381 Temperature: 1.050000 Total energy: -2574.497473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.497473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.497473 (E_RNA) where: Base-Base interactions energy: -1825.227 where: short stacking energy: -724.872 Base-Backbone interact. energy: -2.012 local terms energy: -747.258793 where: bonds (distance) C4'-P energy: -115.642 bonds (distance) P-C4' energy: -147.689 flat angles C4'-P-C4' energy: -158.929 flat angles P-C4'-P energy: -104.501 tors. eta vs tors. theta energy: -220.498 Dist. restrs. and SS energy: 0.000 (S_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: 381 Temperature: 1.100000 Total energy: -2505.610739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.610739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.610739 (E_RNA) where: Base-Base interactions energy: -1765.160 where: short stacking energy: -710.745 Base-Backbone interact. energy: -0.916 local terms energy: -739.534374 where: bonds (distance) C4'-P energy: -104.733 bonds (distance) P-C4' energy: -152.545 flat angles C4'-P-C4' energy: -153.646 flat angles P-C4'-P energy: -109.673 tors. eta vs tors. theta energy: -218.937 Dist. restrs. and SS energy: 0.000 (S_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: 381 Temperature: 1.150000 Total energy: -2439.009667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.009667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.009667 (E_RNA) where: Base-Base interactions energy: -1728.441 where: short stacking energy: -713.317 Base-Backbone interact. energy: -2.605 local terms energy: -707.963744 where: bonds (distance) C4'-P energy: -120.317 bonds (distance) P-C4' energy: -123.519 flat angles C4'-P-C4' energy: -153.038 flat angles P-C4'-P energy: -103.367 tors. eta vs tors. theta energy: -207.723 Dist. restrs. and SS energy: 0.000 (S_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: 381 Temperature: 1.200000 Total energy: -2375.460932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.460932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.460932 (E_RNA) where: Base-Base interactions energy: -1674.944 where: short stacking energy: -689.197 Base-Backbone interact. energy: -2.033 local terms energy: -698.484277 where: bonds (distance) C4'-P energy: -106.382 bonds (distance) P-C4' energy: -159.964 flat angles C4'-P-C4' energy: -140.044 flat angles P-C4'-P energy: -89.336 tors. eta vs tors. theta energy: -202.757 Dist. restrs. and SS energy: 0.000 (S_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: 381 Temperature: 1.250000 Total energy: -2311.650367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.650367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.650367 (E_RNA) where: Base-Base interactions energy: -1647.177 where: short stacking energy: -657.294 Base-Backbone interact. energy: -0.608 local terms energy: -663.865550 where: bonds (distance) C4'-P energy: -120.306 bonds (distance) P-C4' energy: -123.446 flat angles C4'-P-C4' energy: -145.744 flat angles P-C4'-P energy: -91.601 tors. eta vs tors. theta energy: -182.768 Dist. restrs. and SS energy: 0.000 (S_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: 381 Temperature: 1.300000 Total energy: -2133.697731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.697731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.697731 (E_RNA) where: Base-Base interactions energy: -1496.303 where: short stacking energy: -629.951 Base-Backbone interact. energy: 1.864 local terms energy: -639.259497 where: bonds (distance) C4'-P energy: -104.182 bonds (distance) P-C4' energy: -117.982 flat angles C4'-P-C4' energy: -142.241 flat angles P-C4'-P energy: -91.527 tors. eta vs tors. theta energy: -183.327 Dist. restrs. and SS energy: 0.000 (S_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: -2057.306569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.306569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.306569 (E_RNA) where: Base-Base interactions energy: -1423.808 where: short stacking energy: -586.315 Base-Backbone interact. energy: -1.676 local terms energy: -631.822322 where: bonds (distance) C4'-P energy: -106.000 bonds (distance) P-C4' energy: -141.031 flat angles C4'-P-C4' energy: -130.925 flat angles P-C4'-P energy: -76.005 tors. eta vs tors. theta energy: -177.862 Dist. restrs. and SS energy: 0.000 (S_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: 382 Temperature: 0.900000 Total energy: -2710.586367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.586367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.586367 (E_RNA) where: Base-Base interactions energy: -1938.770 where: short stacking energy: -775.802 Base-Backbone interact. energy: -0.847 local terms energy: -770.969924 where: bonds (distance) C4'-P energy: -123.652 bonds (distance) P-C4' energy: -151.479 flat angles C4'-P-C4' energy: -166.743 flat angles P-C4'-P energy: -96.771 tors. eta vs tors. theta energy: -232.326 Dist. restrs. and SS energy: 0.000 (S_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: 382 Temperature: 0.950000 Total energy: -2679.584835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.584835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.584835 (E_RNA) where: Base-Base interactions energy: -1908.644 where: short stacking energy: -773.972 Base-Backbone interact. energy: -1.891 local terms energy: -769.049517 where: bonds (distance) C4'-P energy: -126.638 bonds (distance) P-C4' energy: -153.367 flat angles C4'-P-C4' energy: -157.626 flat angles P-C4'-P energy: -104.089 tors. eta vs tors. theta energy: -227.330 Dist. restrs. and SS energy: 0.000 (S_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: 382 Temperature: 1.000000 Total energy: -2618.445029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.445029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.445029 (E_RNA) where: Base-Base interactions energy: -1863.727 where: short stacking energy: -755.570 Base-Backbone interact. energy: -4.938 local terms energy: -749.780265 where: bonds (distance) C4'-P energy: -113.937 bonds (distance) P-C4' energy: -141.617 flat angles C4'-P-C4' energy: -152.599 flat angles P-C4'-P energy: -111.116 tors. eta vs tors. theta energy: -230.512 Dist. restrs. and SS energy: 0.000 (S_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: 382 Temperature: 1.050000 Total energy: -2542.051648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.051648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.051648 (E_RNA) where: Base-Base interactions energy: -1781.761 where: short stacking energy: -723.831 Base-Backbone interact. energy: -1.756 local terms energy: -758.535083 where: bonds (distance) C4'-P energy: -121.445 bonds (distance) P-C4' energy: -153.335 flat angles C4'-P-C4' energy: -153.334 flat angles P-C4'-P energy: -111.500 tors. eta vs tors. theta energy: -218.922 Dist. restrs. and SS energy: 0.000 (S_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: 382 Temperature: 1.100000 Total energy: -2514.370139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.370139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.370139 (E_RNA) where: Base-Base interactions energy: -1774.318 where: short stacking energy: -732.504 Base-Backbone interact. energy: -1.300 local terms energy: -738.752605 where: bonds (distance) C4'-P energy: -112.034 bonds (distance) P-C4' energy: -146.250 flat angles C4'-P-C4' energy: -152.952 flat angles P-C4'-P energy: -105.447 tors. eta vs tors. theta energy: -222.070 Dist. restrs. and SS energy: 0.000 (S_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: 382 Temperature: 1.150000 Total energy: -2434.866825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.866825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.866825 (E_RNA) where: Base-Base interactions energy: -1723.426 where: short stacking energy: -716.429 Base-Backbone interact. energy: -0.477 local terms energy: -710.964187 where: bonds (distance) C4'-P energy: -96.595 bonds (distance) P-C4' energy: -145.407 flat angles C4'-P-C4' energy: -154.955 flat angles P-C4'-P energy: -101.254 tors. eta vs tors. theta energy: -212.754 Dist. restrs. and SS energy: 0.000 (S_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: 382 Temperature: 1.200000 Total energy: -2388.536383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.536383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.536383 (E_RNA) where: Base-Base interactions energy: -1660.238 where: short stacking energy: -673.617 Base-Backbone interact. energy: -0.058 local terms energy: -728.240120 where: bonds (distance) C4'-P energy: -126.617 bonds (distance) P-C4' energy: -144.218 flat angles C4'-P-C4' energy: -146.502 flat angles P-C4'-P energy: -103.632 tors. eta vs tors. theta energy: -207.271 Dist. restrs. and SS energy: 0.000 (S_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: -2369.488570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.488570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.488570 (E_RNA) where: Base-Base interactions energy: -1675.401 where: short stacking energy: -654.970 Base-Backbone interact. energy: -1.799 local terms energy: -692.288506 where: bonds (distance) C4'-P energy: -106.352 bonds (distance) P-C4' energy: -145.834 flat angles C4'-P-C4' energy: -138.023 flat angles P-C4'-P energy: -104.012 tors. eta vs tors. theta energy: -198.067 Dist. restrs. and SS energy: 0.000 (S_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: -2106.997261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.997261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.997261 (E_RNA) where: Base-Base interactions energy: -1455.116 where: short stacking energy: -599.711 Base-Backbone interact. energy: -1.942 local terms energy: -649.938750 where: bonds (distance) C4'-P energy: -107.912 bonds (distance) P-C4' energy: -131.615 flat angles C4'-P-C4' energy: -138.861 flat angles P-C4'-P energy: -96.539 tors. eta vs tors. theta energy: -175.012 Dist. restrs. and SS energy: 0.000 (S_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: 382 Temperature: 1.350000 Total energy: -2180.182729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.182729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.182729 (E_RNA) where: Base-Base interactions energy: -1531.254 where: short stacking energy: -632.792 Base-Backbone interact. energy: -0.781 local terms energy: -648.147284 where: bonds (distance) C4'-P energy: -100.950 bonds (distance) P-C4' energy: -123.790 flat angles C4'-P-C4' energy: -143.718 flat angles P-C4'-P energy: -95.542 tors. eta vs tors. theta energy: -184.148 Dist. restrs. and SS energy: 0.000 (S_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: 383 Temperature: 0.900000 Total energy: -2690.997864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.997864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.997864 (E_RNA) where: Base-Base interactions energy: -1922.223 where: short stacking energy: -766.515 Base-Backbone interact. energy: -1.398 local terms energy: -767.376946 where: bonds (distance) C4'-P energy: -116.136 bonds (distance) P-C4' energy: -155.442 flat angles C4'-P-C4' energy: -162.353 flat angles P-C4'-P energy: -103.769 tors. eta vs tors. theta energy: -229.677 Dist. restrs. and SS energy: 0.000 (S_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: 383 Temperature: 0.950000 Total energy: -2657.468206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.468206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.468206 (E_RNA) where: Base-Base interactions energy: -1889.065 where: short stacking energy: -763.473 Base-Backbone interact. energy: -2.837 local terms energy: -765.565840 where: bonds (distance) C4'-P energy: -112.382 bonds (distance) P-C4' energy: -149.715 flat angles C4'-P-C4' energy: -161.843 flat angles P-C4'-P energy: -114.701 tors. eta vs tors. theta energy: -226.925 Dist. restrs. and SS energy: 0.000 (S_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: 383 Temperature: 1.000000 Total energy: -2658.685190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.685190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.685190 (E_RNA) where: Base-Base interactions energy: -1890.714 where: short stacking energy: -760.136 Base-Backbone interact. energy: 1.162 local terms energy: -769.132915 where: bonds (distance) C4'-P energy: -109.592 bonds (distance) P-C4' energy: -165.596 flat angles C4'-P-C4' energy: -155.810 flat angles P-C4'-P energy: -109.345 tors. eta vs tors. theta energy: -228.790 Dist. restrs. and SS energy: 0.000 (S_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: 383 Temperature: 1.050000 Total energy: -2541.195618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.195618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.195618 (E_RNA) where: Base-Base interactions energy: -1785.699 where: short stacking energy: -736.615 Base-Backbone interact. energy: -0.066 local terms energy: -755.430877 where: bonds (distance) C4'-P energy: -123.432 bonds (distance) P-C4' energy: -153.521 flat angles C4'-P-C4' energy: -154.338 flat angles P-C4'-P energy: -97.481 tors. eta vs tors. theta energy: -226.659 Dist. restrs. and SS energy: 0.000 (S_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: 383 Temperature: 1.100000 Total energy: -2540.255444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.255444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.255444 (E_RNA) where: Base-Base interactions energy: -1793.211 where: short stacking energy: -728.486 Base-Backbone interact. energy: -1.352 local terms energy: -745.692159 where: bonds (distance) C4'-P energy: -109.242 bonds (distance) P-C4' energy: -145.084 flat angles C4'-P-C4' energy: -153.696 flat angles P-C4'-P energy: -112.451 tors. eta vs tors. theta energy: -225.219 Dist. restrs. and SS energy: 0.000 (S_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: 383 Temperature: 1.150000 Total energy: -2378.802076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.802076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.802076 (E_RNA) where: Base-Base interactions energy: -1677.926 where: short stacking energy: -698.449 Base-Backbone interact. energy: -1.414 local terms energy: -699.461787 where: bonds (distance) C4'-P energy: -113.924 bonds (distance) P-C4' energy: -145.439 flat angles C4'-P-C4' energy: -150.666 flat angles P-C4'-P energy: -90.657 tors. eta vs tors. theta energy: -198.777 Dist. restrs. and SS energy: 0.000 (S_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: 383 Temperature: 1.200000 Total energy: -2392.181392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.181392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.181392 (E_RNA) where: Base-Base interactions energy: -1674.381 where: short stacking energy: -672.377 Base-Backbone interact. energy: -1.100 local terms energy: -716.700344 where: bonds (distance) C4'-P energy: -111.401 bonds (distance) P-C4' energy: -145.175 flat angles C4'-P-C4' energy: -157.716 flat angles P-C4'-P energy: -94.175 tors. eta vs tors. theta energy: -208.234 Dist. restrs. and SS energy: 0.000 (S_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: 383 Temperature: 1.250000 Total energy: -2385.014748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.014748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.014748 (E_RNA) where: Base-Base interactions energy: -1686.945 where: short stacking energy: -683.277 Base-Backbone interact. energy: -2.272 local terms energy: -695.797713 where: bonds (distance) C4'-P energy: -103.253 bonds (distance) P-C4' energy: -155.769 flat angles C4'-P-C4' energy: -145.064 flat angles P-C4'-P energy: -94.247 tors. eta vs tors. theta energy: -197.465 Dist. restrs. and SS energy: 0.000 (S_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: 383 Temperature: 1.300000 Total energy: -2112.034748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.034748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.034748 (E_RNA) where: Base-Base interactions energy: -1448.035 where: short stacking energy: -607.812 Base-Backbone interact. energy: -0.947 local terms energy: -663.053193 where: bonds (distance) C4'-P energy: -98.444 bonds (distance) P-C4' energy: -141.523 flat angles C4'-P-C4' energy: -141.944 flat angles P-C4'-P energy: -91.309 tors. eta vs tors. theta energy: -189.833 Dist. restrs. and SS energy: 0.000 (S_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: 383 Temperature: 1.350000 Total energy: -2176.727985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.727985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.727985 (E_RNA) where: Base-Base interactions energy: -1529.872 where: short stacking energy: -616.264 Base-Backbone interact. energy: -0.964 local terms energy: -645.892288 where: bonds (distance) C4'-P energy: -97.252 bonds (distance) P-C4' energy: -150.565 flat angles C4'-P-C4' energy: -137.109 flat angles P-C4'-P energy: -85.955 tors. eta vs tors. theta energy: -175.012 Dist. restrs. and SS energy: 0.000 (S_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: 384 Temperature: 0.900000 Total energy: -2672.413909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.413909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.413909 (E_RNA) where: Base-Base interactions energy: -1885.789 where: short stacking energy: -759.425 Base-Backbone interact. energy: -2.923 local terms energy: -783.702343 where: bonds (distance) C4'-P energy: -133.712 bonds (distance) P-C4' energy: -151.177 flat angles C4'-P-C4' energy: -164.530 flat angles P-C4'-P energy: -111.870 tors. eta vs tors. theta energy: -222.413 Dist. restrs. and SS energy: 0.000 (S_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: 384 Temperature: 0.950000 Total energy: -2663.637630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.637630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.637630 (E_RNA) where: Base-Base interactions energy: -1894.626 where: short stacking energy: -749.594 Base-Backbone interact. energy: -3.477 local terms energy: -765.535531 where: bonds (distance) C4'-P energy: -123.119 bonds (distance) P-C4' energy: -151.957 flat angles C4'-P-C4' energy: -155.137 flat angles P-C4'-P energy: -102.954 tors. eta vs tors. theta energy: -232.369 Dist. restrs. and SS energy: 0.000 (S_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: -2624.513483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.513483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.513483 (E_RNA) where: Base-Base interactions energy: -1861.331 where: short stacking energy: -731.911 Base-Backbone interact. energy: -2.482 local terms energy: -760.701114 where: bonds (distance) C4'-P energy: -123.646 bonds (distance) P-C4' energy: -152.289 flat angles C4'-P-C4' energy: -160.456 flat angles P-C4'-P energy: -101.581 tors. eta vs tors. theta energy: -222.728 Dist. restrs. and SS energy: 0.000 (S_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: -2539.673982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.673982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.673982 (E_RNA) where: Base-Base interactions energy: -1795.628 where: short stacking energy: -720.217 Base-Backbone interact. energy: -1.183 local terms energy: -742.863344 where: bonds (distance) C4'-P energy: -111.961 bonds (distance) P-C4' energy: -155.531 flat angles C4'-P-C4' energy: -151.301 flat angles P-C4'-P energy: -105.110 tors. eta vs tors. theta energy: -218.961 Dist. restrs. and SS energy: 0.000 (S_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: 384 Temperature: 1.100000 Total energy: -2544.242582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.242582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.242582 (E_RNA) where: Base-Base interactions energy: -1805.040 where: short stacking energy: -735.286 Base-Backbone interact. energy: -0.711 local terms energy: -738.491414 where: bonds (distance) C4'-P energy: -109.284 bonds (distance) P-C4' energy: -148.095 flat angles C4'-P-C4' energy: -154.853 flat angles P-C4'-P energy: -106.854 tors. eta vs tors. theta energy: -219.405 Dist. restrs. and SS energy: 0.000 (S_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: 384 Temperature: 1.150000 Total energy: -2417.232311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.232311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.232311 (E_RNA) where: Base-Base interactions energy: -1722.186 where: short stacking energy: -715.166 Base-Backbone interact. energy: -1.792 local terms energy: -693.253960 where: bonds (distance) C4'-P energy: -107.109 bonds (distance) P-C4' energy: -122.475 flat angles C4'-P-C4' energy: -147.418 flat angles P-C4'-P energy: -104.896 tors. eta vs tors. theta energy: -211.356 Dist. restrs. and SS energy: 0.000 (S_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: 384 Temperature: 1.200000 Total energy: -2377.240400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.240400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.240400 (E_RNA) where: Base-Base interactions energy: -1684.735 where: short stacking energy: -681.181 Base-Backbone interact. energy: -1.157 local terms energy: -691.347942 where: bonds (distance) C4'-P energy: -98.276 bonds (distance) P-C4' energy: -140.874 flat angles C4'-P-C4' energy: -142.101 flat angles P-C4'-P energy: -105.575 tors. eta vs tors. theta energy: -204.522 Dist. restrs. and SS energy: 0.000 (S_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: 384 Temperature: 1.250000 Total energy: -2400.470520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.470520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.470520 (E_RNA) where: Base-Base interactions energy: -1688.341 where: short stacking energy: -682.012 Base-Backbone interact. energy: 1.131 local terms energy: -713.260499 where: bonds (distance) C4'-P energy: -99.339 bonds (distance) P-C4' energy: -149.015 flat angles C4'-P-C4' energy: -154.547 flat angles P-C4'-P energy: -96.233 tors. eta vs tors. theta energy: -214.126 Dist. restrs. and SS energy: 0.000 (S_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: 384 Temperature: 1.300000 Total energy: -2092.421315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.421315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.421315 (E_RNA) where: Base-Base interactions energy: -1433.438 where: short stacking energy: -604.347 Base-Backbone interact. energy: -1.005 local terms energy: -657.978199 where: bonds (distance) C4'-P energy: -106.794 bonds (distance) P-C4' energy: -144.292 flat angles C4'-P-C4' energy: -137.181 flat angles P-C4'-P energy: -97.862 tors. eta vs tors. theta energy: -171.849 Dist. restrs. and SS energy: 0.000 (S_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: 384 Temperature: 1.350000 Total energy: -2127.539865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.539865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.539865 (E_RNA) where: Base-Base interactions energy: -1485.937 where: short stacking energy: -614.327 Base-Backbone interact. energy: -2.270 local terms energy: -639.332479 where: bonds (distance) C4'-P energy: -108.042 bonds (distance) P-C4' energy: -118.588 flat angles C4'-P-C4' energy: -144.913 flat angles P-C4'-P energy: -84.659 tors. eta vs tors. theta energy: -183.130 Dist. restrs. and SS energy: 0.000 (S_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: 385 Temperature: 0.900000 Total energy: -2684.710358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.710358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.710358 (E_RNA) where: Base-Base interactions energy: -1899.836 where: short stacking energy: -764.053 Base-Backbone interact. energy: -1.868 local terms energy: -783.006115 where: bonds (distance) C4'-P energy: -125.177 bonds (distance) P-C4' energy: -155.448 flat angles C4'-P-C4' energy: -159.645 flat angles P-C4'-P energy: -117.819 tors. eta vs tors. theta energy: -224.917 Dist. restrs. and SS energy: 0.000 (S_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: 385 Temperature: 0.950000 Total energy: -2667.642494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.642494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.642494 (E_RNA) where: Base-Base interactions energy: -1897.020 where: short stacking energy: -776.393 Base-Backbone interact. energy: -0.650 local terms energy: -769.972403 where: bonds (distance) C4'-P energy: -115.278 bonds (distance) P-C4' energy: -148.273 flat angles C4'-P-C4' energy: -169.095 flat angles P-C4'-P energy: -110.113 tors. eta vs tors. theta energy: -227.214 Dist. restrs. and SS energy: 0.000 (S_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: 385 Temperature: 1.000000 Total energy: -2636.955173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.955173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.955173 (E_RNA) where: Base-Base interactions energy: -1877.889 where: short stacking energy: -732.811 Base-Backbone interact. energy: -4.296 local terms energy: -754.769284 where: bonds (distance) C4'-P energy: -120.426 bonds (distance) P-C4' energy: -144.747 flat angles C4'-P-C4' energy: -160.591 flat angles P-C4'-P energy: -108.758 tors. eta vs tors. theta energy: -220.247 Dist. restrs. and SS energy: 0.000 (S_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: 385 Temperature: 1.050000 Total energy: -2556.655945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.655945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.655945 (E_RNA) where: Base-Base interactions energy: -1817.131 where: short stacking energy: -733.874 Base-Backbone interact. energy: -1.928 local terms energy: -737.596579 where: bonds (distance) C4'-P energy: -107.177 bonds (distance) P-C4' energy: -141.706 flat angles C4'-P-C4' energy: -155.044 flat angles P-C4'-P energy: -113.579 tors. eta vs tors. theta energy: -220.091 Dist. restrs. and SS energy: 0.000 (S_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: 385 Temperature: 1.100000 Total energy: -2492.927101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.927101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.927101 (E_RNA) where: Base-Base interactions energy: -1758.756 where: short stacking energy: -693.288 Base-Backbone interact. energy: -1.065 local terms energy: -733.106126 where: bonds (distance) C4'-P energy: -107.564 bonds (distance) P-C4' energy: -155.616 flat angles C4'-P-C4' energy: -153.054 flat angles P-C4'-P energy: -100.483 tors. eta vs tors. theta energy: -216.390 Dist. restrs. and SS energy: 0.000 (S_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: 385 Temperature: 1.150000 Total energy: -2433.785623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.785623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.785623 (E_RNA) where: Base-Base interactions energy: -1719.339 where: short stacking energy: -688.250 Base-Backbone interact. energy: -0.982 local terms energy: -713.464872 where: bonds (distance) C4'-P energy: -109.343 bonds (distance) P-C4' energy: -152.073 flat angles C4'-P-C4' energy: -149.029 flat angles P-C4'-P energy: -97.632 tors. eta vs tors. theta energy: -205.387 Dist. restrs. and SS energy: 0.000 (S_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: 385 Temperature: 1.200000 Total energy: -2383.433978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.433978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.433978 (E_RNA) where: Base-Base interactions energy: -1691.438 where: short stacking energy: -692.184 Base-Backbone interact. energy: -1.999 local terms energy: -689.997259 where: bonds (distance) C4'-P energy: -107.094 bonds (distance) P-C4' energy: -132.372 flat angles C4'-P-C4' energy: -153.496 flat angles P-C4'-P energy: -93.269 tors. eta vs tors. theta energy: -203.767 Dist. restrs. and SS energy: 0.000 (S_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: 385 Temperature: 1.250000 Total energy: -2305.906143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.906143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.906143 (E_RNA) where: Base-Base interactions energy: -1614.856 where: short stacking energy: -661.737 Base-Backbone interact. energy: -0.215 local terms energy: -690.835476 where: bonds (distance) C4'-P energy: -112.249 bonds (distance) P-C4' energy: -150.275 flat angles C4'-P-C4' energy: -145.875 flat angles P-C4'-P energy: -91.666 tors. eta vs tors. theta energy: -190.770 Dist. restrs. and SS energy: 0.000 (S_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: 385 Temperature: 1.300000 Total energy: -2101.131333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.131333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.131333 (E_RNA) where: Base-Base interactions energy: -1442.270 where: short stacking energy: -599.448 Base-Backbone interact. energy: -0.970 local terms energy: -657.891680 where: bonds (distance) C4'-P energy: -112.651 bonds (distance) P-C4' energy: -148.809 flat angles C4'-P-C4' energy: -141.034 flat angles P-C4'-P energy: -79.186 tors. eta vs tors. theta energy: -176.211 Dist. restrs. and SS energy: 0.000 (S_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: 385 Temperature: 1.350000 Total energy: -2136.285647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.285647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.285647 (E_RNA) where: Base-Base interactions energy: -1499.553 where: short stacking energy: -618.119 Base-Backbone interact. energy: 0.249 local terms energy: -636.981730 where: bonds (distance) C4'-P energy: -93.328 bonds (distance) P-C4' energy: -134.021 flat angles C4'-P-C4' energy: -151.960 flat angles P-C4'-P energy: -84.903 tors. eta vs tors. theta energy: -172.770 Dist. restrs. and SS energy: 0.000 (S_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: 386 Temperature: 0.900000 Total energy: -2677.484643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.484643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.484643 (E_RNA) where: Base-Base interactions energy: -1907.886 where: short stacking energy: -771.910 Base-Backbone interact. energy: -1.891 local terms energy: -767.707112 where: bonds (distance) C4'-P energy: -116.615 bonds (distance) P-C4' energy: -151.665 flat angles C4'-P-C4' energy: -160.602 flat angles P-C4'-P energy: -114.959 tors. eta vs tors. theta energy: -223.867 Dist. restrs. and SS energy: 0.000 (S_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: 386 Temperature: 0.950000 Total energy: -2666.629732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.629732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.629732 (E_RNA) where: Base-Base interactions energy: -1882.153 where: short stacking energy: -760.217 Base-Backbone interact. energy: -3.276 local terms energy: -781.200666 where: bonds (distance) C4'-P energy: -136.283 bonds (distance) P-C4' energy: -147.014 flat angles C4'-P-C4' energy: -160.690 flat angles P-C4'-P energy: -108.082 tors. eta vs tors. theta energy: -229.131 Dist. restrs. and SS energy: 0.000 (S_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: 386 Temperature: 1.000000 Total energy: -2620.836233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.836233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.836233 (E_RNA) where: Base-Base interactions energy: -1851.594 where: short stacking energy: -741.935 Base-Backbone interact. energy: -1.493 local terms energy: -767.749550 where: bonds (distance) C4'-P energy: -123.279 bonds (distance) P-C4' energy: -146.108 flat angles C4'-P-C4' energy: -164.128 flat angles P-C4'-P energy: -110.668 tors. eta vs tors. theta energy: -223.567 Dist. restrs. and SS energy: 0.000 (S_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: 386 Temperature: 1.050000 Total energy: -2563.724213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.724213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.724213 (E_RNA) where: Base-Base interactions energy: -1816.204 where: short stacking energy: -740.955 Base-Backbone interact. energy: 0.431 local terms energy: -747.950618 where: bonds (distance) C4'-P energy: -117.530 bonds (distance) P-C4' energy: -148.359 flat angles C4'-P-C4' energy: -152.084 flat angles P-C4'-P energy: -102.633 tors. eta vs tors. theta energy: -227.345 Dist. restrs. and SS energy: 0.000 (S_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: 386 Temperature: 1.100000 Total energy: -2465.270601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.270601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.270601 (E_RNA) where: Base-Base interactions energy: -1740.808 where: short stacking energy: -709.918 Base-Backbone interact. energy: -1.311 local terms energy: -723.151862 where: bonds (distance) C4'-P energy: -109.465 bonds (distance) P-C4' energy: -135.873 flat angles C4'-P-C4' energy: -156.142 flat angles P-C4'-P energy: -103.756 tors. eta vs tors. theta energy: -217.915 Dist. restrs. and SS energy: 0.000 (S_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: 386 Temperature: 1.150000 Total energy: -2395.047848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.047848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.047848 (E_RNA) where: Base-Base interactions energy: -1673.208 where: short stacking energy: -683.240 Base-Backbone interact. energy: -1.331 local terms energy: -720.509228 where: bonds (distance) C4'-P energy: -113.678 bonds (distance) P-C4' energy: -149.007 flat angles C4'-P-C4' energy: -140.837 flat angles P-C4'-P energy: -115.026 tors. eta vs tors. theta energy: -201.963 Dist. restrs. and SS energy: 0.000 (S_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: 386 Temperature: 1.200000 Total energy: -2398.892724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.892724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.892724 (E_RNA) where: Base-Base interactions energy: -1687.949 where: short stacking energy: -683.245 Base-Backbone interact. energy: -1.314 local terms energy: -709.630142 where: bonds (distance) C4'-P energy: -105.709 bonds (distance) P-C4' energy: -140.868 flat angles C4'-P-C4' energy: -153.681 flat angles P-C4'-P energy: -106.387 tors. eta vs tors. theta energy: -202.985 Dist. restrs. and SS energy: 0.000 (S_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: 386 Temperature: 1.250000 Total energy: -2308.416272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.416272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.416272 (E_RNA) where: Base-Base interactions energy: -1622.284 where: short stacking energy: -647.177 Base-Backbone interact. energy: -1.941 local terms energy: -684.191515 where: bonds (distance) C4'-P energy: -115.621 bonds (distance) P-C4' energy: -134.121 flat angles C4'-P-C4' energy: -147.285 flat angles P-C4'-P energy: -101.335 tors. eta vs tors. theta energy: -185.829 Dist. restrs. and SS energy: 0.000 (S_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: 386 Temperature: 1.300000 Total energy: -2087.448998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.448998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.448998 (E_RNA) where: Base-Base interactions energy: -1439.118 where: short stacking energy: -602.371 Base-Backbone interact. energy: -0.779 local terms energy: -647.551737 where: bonds (distance) C4'-P energy: -103.401 bonds (distance) P-C4' energy: -141.715 flat angles C4'-P-C4' energy: -148.812 flat angles P-C4'-P energy: -85.768 tors. eta vs tors. theta energy: -167.855 Dist. restrs. and SS energy: 0.000 (S_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: 386 Temperature: 1.350000 Total energy: -2104.926608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.926608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.926608 (E_RNA) where: Base-Base interactions energy: -1454.583 where: short stacking energy: -594.805 Base-Backbone interact. energy: -1.070 local terms energy: -649.274472 where: bonds (distance) C4'-P energy: -113.393 bonds (distance) P-C4' energy: -133.027 flat angles C4'-P-C4' energy: -130.910 flat angles P-C4'-P energy: -94.357 tors. eta vs tors. theta energy: -177.587 Dist. restrs. and SS energy: 0.000 (S_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: 387 Temperature: 0.900000 Total energy: -2685.564924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.564924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.564924 (E_RNA) where: Base-Base interactions energy: -1903.316 where: short stacking energy: -773.785 Base-Backbone interact. energy: -1.880 local terms energy: -780.368706 where: bonds (distance) C4'-P energy: -124.164 bonds (distance) P-C4' energy: -158.130 flat angles C4'-P-C4' energy: -158.525 flat angles P-C4'-P energy: -110.105 tors. eta vs tors. theta energy: -229.445 Dist. restrs. and SS energy: 0.000 (S_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: 387 Temperature: 0.950000 Total energy: -2671.824469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.824469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.824469 (E_RNA) where: Base-Base interactions energy: -1901.936 where: short stacking energy: -759.597 Base-Backbone interact. energy: -2.358 local terms energy: -767.530605 where: bonds (distance) C4'-P energy: -119.738 bonds (distance) P-C4' energy: -160.679 flat angles C4'-P-C4' energy: -155.020 flat angles P-C4'-P energy: -105.730 tors. eta vs tors. theta energy: -226.364 Dist. restrs. and SS energy: 0.000 (S_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: 387 Temperature: 1.000000 Total energy: -2646.477321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.477321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.477321 (E_RNA) where: Base-Base interactions energy: -1869.136 where: short stacking energy: -760.133 Base-Backbone interact. energy: -1.793 local terms energy: -775.548053 where: bonds (distance) C4'-P energy: -118.856 bonds (distance) P-C4' energy: -155.216 flat angles C4'-P-C4' energy: -158.080 flat angles P-C4'-P energy: -112.999 tors. eta vs tors. theta energy: -230.397 Dist. restrs. and SS energy: 0.000 (S_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: 387 Temperature: 1.050000 Total energy: -2570.091268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.091268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.091268 (E_RNA) where: Base-Base interactions energy: -1830.264 where: short stacking energy: -736.943 Base-Backbone interact. energy: -4.166 local terms energy: -735.660732 where: bonds (distance) C4'-P energy: -102.221 bonds (distance) P-C4' energy: -151.072 flat angles C4'-P-C4' energy: -153.116 flat angles P-C4'-P energy: -107.582 tors. eta vs tors. theta energy: -221.670 Dist. restrs. and SS energy: 0.000 (S_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: 387 Temperature: 1.100000 Total energy: -2481.527811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.527811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.527811 (E_RNA) where: Base-Base interactions energy: -1758.760 where: short stacking energy: -705.372 Base-Backbone interact. energy: -0.735 local terms energy: -722.032567 where: bonds (distance) C4'-P energy: -111.569 bonds (distance) P-C4' energy: -154.830 flat angles C4'-P-C4' energy: -145.850 flat angles P-C4'-P energy: -102.152 tors. eta vs tors. theta energy: -207.631 Dist. restrs. and SS energy: 0.000 (S_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: 387 Temperature: 1.150000 Total energy: -2405.114925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.114925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.114925 (E_RNA) where: Base-Base interactions energy: -1715.086 where: short stacking energy: -699.034 Base-Backbone interact. energy: 6.689 local terms energy: -696.717688 where: bonds (distance) C4'-P energy: -112.244 bonds (distance) P-C4' energy: -146.526 flat angles C4'-P-C4' energy: -148.636 flat angles P-C4'-P energy: -87.916 tors. eta vs tors. theta energy: -201.397 Dist. restrs. and SS energy: 0.000 (S_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: 387 Temperature: 1.200000 Total energy: -2387.567792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.567792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.567792 (E_RNA) where: Base-Base interactions energy: -1686.144 where: short stacking energy: -662.378 Base-Backbone interact. energy: -1.305 local terms energy: -700.118574 where: bonds (distance) C4'-P energy: -117.431 bonds (distance) P-C4' energy: -138.048 flat angles C4'-P-C4' energy: -151.600 flat angles P-C4'-P energy: -91.764 tors. eta vs tors. theta energy: -201.275 Dist. restrs. and SS energy: 0.000 (S_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: 387 Temperature: 1.250000 Total energy: -2314.040567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.040567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.040567 (E_RNA) where: Base-Base interactions energy: -1646.584 where: short stacking energy: -687.922 Base-Backbone interact. energy: -1.899 local terms energy: -665.557245 where: bonds (distance) C4'-P energy: -97.648 bonds (distance) P-C4' energy: -132.385 flat angles C4'-P-C4' energy: -143.140 flat angles P-C4'-P energy: -100.075 tors. eta vs tors. theta energy: -192.310 Dist. restrs. and SS energy: 0.000 (S_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: 387 Temperature: 1.300000 Total energy: -2085.604435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.604435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.604435 (E_RNA) where: Base-Base interactions energy: -1454.970 where: short stacking energy: -609.796 Base-Backbone interact. energy: 2.701 local terms energy: -633.335369 where: bonds (distance) C4'-P energy: -106.158 bonds (distance) P-C4' energy: -125.925 flat angles C4'-P-C4' energy: -149.454 flat angles P-C4'-P energy: -87.457 tors. eta vs tors. theta energy: -164.341 Dist. restrs. and SS energy: 0.000 (S_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: 387 Temperature: 1.350000 Total energy: -2171.944568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.944568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.944568 (E_RNA) where: Base-Base interactions energy: -1528.873 where: short stacking energy: -619.626 Base-Backbone interact. energy: -0.295 local terms energy: -642.776651 where: bonds (distance) C4'-P energy: -115.808 bonds (distance) P-C4' energy: -125.250 flat angles C4'-P-C4' energy: -133.197 flat angles P-C4'-P energy: -90.184 tors. eta vs tors. theta energy: -178.338 Dist. restrs. and SS energy: 0.000 (S_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: 388 Temperature: 0.900000 Total energy: -2667.105751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.105751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.105751 (E_RNA) where: Base-Base interactions energy: -1900.378 where: short stacking energy: -765.355 Base-Backbone interact. energy: 0.015 local terms energy: -766.741896 where: bonds (distance) C4'-P energy: -131.907 bonds (distance) P-C4' energy: -145.970 flat angles C4'-P-C4' energy: -149.093 flat angles P-C4'-P energy: -111.583 tors. eta vs tors. theta energy: -228.188 Dist. restrs. and SS energy: 0.000 (S_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: 388 Temperature: 0.950000 Total energy: -2669.033740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.033740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.033740 (E_RNA) where: Base-Base interactions energy: -1908.107 where: short stacking energy: -762.931 Base-Backbone interact. energy: -0.878 local terms energy: -760.048916 where: bonds (distance) C4'-P energy: -111.329 bonds (distance) P-C4' energy: -150.939 flat angles C4'-P-C4' energy: -156.525 flat angles P-C4'-P energy: -113.711 tors. eta vs tors. theta energy: -227.545 Dist. restrs. and SS energy: 0.000 (S_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: 388 Temperature: 1.000000 Total energy: -2632.151274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.151274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.151274 (E_RNA) where: Base-Base interactions energy: -1880.022 where: short stacking energy: -751.004 Base-Backbone interact. energy: -2.248 local terms energy: -749.881269 where: bonds (distance) C4'-P energy: -119.828 bonds (distance) P-C4' energy: -136.941 flat angles C4'-P-C4' energy: -154.146 flat angles P-C4'-P energy: -109.084 tors. eta vs tors. theta energy: -229.883 Dist. restrs. and SS energy: 0.000 (S_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: 388 Temperature: 1.050000 Total energy: -2581.497999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.497999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.497999 (E_RNA) where: Base-Base interactions energy: -1823.489 where: short stacking energy: -743.414 Base-Backbone interact. energy: -1.364 local terms energy: -756.645338 where: bonds (distance) C4'-P energy: -110.398 bonds (distance) P-C4' energy: -151.500 flat angles C4'-P-C4' energy: -154.663 flat angles P-C4'-P energy: -111.116 tors. eta vs tors. theta energy: -228.969 Dist. restrs. and SS energy: 0.000 (S_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: 388 Temperature: 1.100000 Total energy: -2504.051788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.051788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.051788 (E_RNA) where: Base-Base interactions energy: -1768.718 where: short stacking energy: -700.642 Base-Backbone interact. energy: 0.401 local terms energy: -735.734664 where: bonds (distance) C4'-P energy: -114.367 bonds (distance) P-C4' energy: -153.224 flat angles C4'-P-C4' energy: -149.823 flat angles P-C4'-P energy: -103.326 tors. eta vs tors. theta energy: -214.995 Dist. restrs. and SS energy: 0.000 (S_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: 388 Temperature: 1.150000 Total energy: -2419.915043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.915043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.915043 (E_RNA) where: Base-Base interactions energy: -1723.423 where: short stacking energy: -701.512 Base-Backbone interact. energy: -1.471 local terms energy: -695.020568 where: bonds (distance) C4'-P energy: -103.802 bonds (distance) P-C4' energy: -146.330 flat angles C4'-P-C4' energy: -144.505 flat angles P-C4'-P energy: -100.328 tors. eta vs tors. theta energy: -200.055 Dist. restrs. and SS energy: 0.000 (S_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: 388 Temperature: 1.200000 Total energy: -2386.734770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.734770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.734770 (E_RNA) where: Base-Base interactions energy: -1681.783 where: short stacking energy: -676.649 Base-Backbone interact. energy: -0.630 local terms energy: -704.321675 where: bonds (distance) C4'-P energy: -103.653 bonds (distance) P-C4' energy: -145.101 flat angles C4'-P-C4' energy: -147.523 flat angles P-C4'-P energy: -99.796 tors. eta vs tors. theta energy: -208.248 Dist. restrs. and SS energy: 0.000 (S_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: 388 Temperature: 1.250000 Total energy: -2351.798027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.798027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.798027 (E_RNA) where: Base-Base interactions energy: -1647.987 where: short stacking energy: -671.790 Base-Backbone interact. energy: -0.812 local terms energy: -702.998953 where: bonds (distance) C4'-P energy: -109.557 bonds (distance) P-C4' energy: -137.112 flat angles C4'-P-C4' energy: -148.100 flat angles P-C4'-P energy: -101.142 tors. eta vs tors. theta energy: -207.087 Dist. restrs. and SS energy: 0.000 (S_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: 388 Temperature: 1.300000 Total energy: -2226.113376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.113376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.113376 (E_RNA) where: Base-Base interactions energy: -1560.917 where: short stacking energy: -628.641 Base-Backbone interact. energy: -1.310 local terms energy: -663.886271 where: bonds (distance) C4'-P energy: -106.844 bonds (distance) P-C4' energy: -142.974 flat angles C4'-P-C4' energy: -141.440 flat angles P-C4'-P energy: -86.241 tors. eta vs tors. theta energy: -186.388 Dist. restrs. and SS energy: 0.000 (S_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: 388 Temperature: 1.350000 Total energy: -2080.964565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.964565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.964565 (E_RNA) where: Base-Base interactions energy: -1434.002 where: short stacking energy: -577.282 Base-Backbone interact. energy: 0.160 local terms energy: -647.121796 where: bonds (distance) C4'-P energy: -102.417 bonds (distance) P-C4' energy: -141.906 flat angles C4'-P-C4' energy: -139.497 flat angles P-C4'-P energy: -97.130 tors. eta vs tors. theta energy: -166.172 Dist. restrs. and SS energy: 0.000 (S_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: 389 Temperature: 0.900000 Total energy: -2651.423984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.423984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.423984 (E_RNA) where: Base-Base interactions energy: -1880.015 where: short stacking energy: -742.221 Base-Backbone interact. energy: -0.385 local terms energy: -771.023407 where: bonds (distance) C4'-P energy: -129.124 bonds (distance) P-C4' energy: -152.917 flat angles C4'-P-C4' energy: -162.223 flat angles P-C4'-P energy: -104.259 tors. eta vs tors. theta energy: -222.501 Dist. restrs. and SS energy: 0.000 (S_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: 389 Temperature: 0.950000 Total energy: -2672.267287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.267287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.267287 (E_RNA) where: Base-Base interactions energy: -1914.335 where: short stacking energy: -766.762 Base-Backbone interact. energy: -2.570 local terms energy: -755.362274 where: bonds (distance) C4'-P energy: -123.075 bonds (distance) P-C4' energy: -140.289 flat angles C4'-P-C4' energy: -159.351 flat angles P-C4'-P energy: -110.499 tors. eta vs tors. theta energy: -222.150 Dist. restrs. and SS energy: 0.000 (S_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: 389 Temperature: 1.000000 Total energy: -2632.267185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.267185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.267185 (E_RNA) where: Base-Base interactions energy: -1867.299 where: short stacking energy: -718.437 Base-Backbone interact. energy: -0.384 local terms energy: -764.583929 where: bonds (distance) C4'-P energy: -117.074 bonds (distance) P-C4' energy: -158.436 flat angles C4'-P-C4' energy: -151.095 flat angles P-C4'-P energy: -119.602 tors. eta vs tors. theta energy: -218.376 Dist. restrs. and SS energy: 0.000 (S_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: 389 Temperature: 1.050000 Total energy: -2538.909007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.909007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.909007 (E_RNA) where: Base-Base interactions energy: -1793.071 where: short stacking energy: -733.522 Base-Backbone interact. energy: -0.655 local terms energy: -745.182868 where: bonds (distance) C4'-P energy: -112.241 bonds (distance) P-C4' energy: -149.066 flat angles C4'-P-C4' energy: -159.883 flat angles P-C4'-P energy: -104.869 tors. eta vs tors. theta energy: -219.125 Dist. restrs. and SS energy: 0.000 (S_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: 389 Temperature: 1.100000 Total energy: -2523.691724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.691724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.691724 (E_RNA) where: Base-Base interactions energy: -1782.990 where: short stacking energy: -722.649 Base-Backbone interact. energy: -2.516 local terms energy: -738.185521 where: bonds (distance) C4'-P energy: -109.348 bonds (distance) P-C4' energy: -143.854 flat angles C4'-P-C4' energy: -149.874 flat angles P-C4'-P energy: -108.753 tors. eta vs tors. theta energy: -226.357 Dist. restrs. and SS energy: 0.000 (S_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: 389 Temperature: 1.150000 Total energy: -2428.098107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.098107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.098107 (E_RNA) where: Base-Base interactions energy: -1697.685 where: short stacking energy: -675.679 Base-Backbone interact. energy: -2.355 local terms energy: -728.058616 where: bonds (distance) C4'-P energy: -121.972 bonds (distance) P-C4' energy: -151.647 flat angles C4'-P-C4' energy: -147.778 flat angles P-C4'-P energy: -106.351 tors. eta vs tors. theta energy: -200.310 Dist. restrs. and SS energy: 0.000 (S_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: 389 Temperature: 1.200000 Total energy: -2384.317804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.317804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.317804 (E_RNA) where: Base-Base interactions energy: -1685.373 where: short stacking energy: -673.795 Base-Backbone interact. energy: 0.128 local terms energy: -699.073083 where: bonds (distance) C4'-P energy: -111.657 bonds (distance) P-C4' energy: -140.805 flat angles C4'-P-C4' energy: -152.952 flat angles P-C4'-P energy: -101.499 tors. eta vs tors. theta energy: -192.161 Dist. restrs. and SS energy: 0.000 (S_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: 389 Temperature: 1.250000 Total energy: -2331.156511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.156511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.156511 (E_RNA) where: Base-Base interactions energy: -1639.493 where: short stacking energy: -656.490 Base-Backbone interact. energy: -1.893 local terms energy: -689.769908 where: bonds (distance) C4'-P energy: -107.664 bonds (distance) P-C4' energy: -132.644 flat angles C4'-P-C4' energy: -142.386 flat angles P-C4'-P energy: -109.692 tors. eta vs tors. theta energy: -197.383 Dist. restrs. and SS energy: 0.000 (S_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: 389 Temperature: 1.300000 Total energy: -2256.244321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.244321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.244321 (E_RNA) where: Base-Base interactions energy: -1565.498 where: short stacking energy: -638.552 Base-Backbone interact. energy: -2.324 local terms energy: -688.422972 where: bonds (distance) C4'-P energy: -107.106 bonds (distance) P-C4' energy: -153.116 flat angles C4'-P-C4' energy: -136.896 flat angles P-C4'-P energy: -103.208 tors. eta vs tors. theta energy: -188.097 Dist. restrs. and SS energy: 0.000 (S_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: 389 Temperature: 1.350000 Total energy: -2103.722738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.722738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.722738 (E_RNA) where: Base-Base interactions energy: -1443.019 where: short stacking energy: -608.142 Base-Backbone interact. energy: -1.296 local terms energy: -659.407522 where: bonds (distance) C4'-P energy: -100.680 bonds (distance) P-C4' energy: -143.356 flat angles C4'-P-C4' energy: -129.392 flat angles P-C4'-P energy: -105.416 tors. eta vs tors. theta energy: -180.564 Dist. restrs. and SS energy: 0.000 (S_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: 390 Temperature: 0.900000 Total energy: -2701.578108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.578108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.578108 (E_RNA) where: Base-Base interactions energy: -1920.738 where: short stacking energy: -760.381 Base-Backbone interact. energy: -0.210 local terms energy: -780.629485 where: bonds (distance) C4'-P energy: -124.076 bonds (distance) P-C4' energy: -155.951 flat angles C4'-P-C4' energy: -160.146 flat angles P-C4'-P energy: -119.411 tors. eta vs tors. theta energy: -221.045 Dist. restrs. and SS energy: 0.000 (S_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: 390 Temperature: 0.950000 Total energy: -2656.348284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.348284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.348284 (E_RNA) where: Base-Base interactions energy: -1885.023 where: short stacking energy: -740.879 Base-Backbone interact. energy: -1.545 local terms energy: -769.780725 where: bonds (distance) C4'-P energy: -120.093 bonds (distance) P-C4' energy: -155.581 flat angles C4'-P-C4' energy: -160.938 flat angles P-C4'-P energy: -113.248 tors. eta vs tors. theta energy: -219.921 Dist. restrs. and SS energy: 0.000 (S_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: 390 Temperature: 1.000000 Total energy: -2627.969090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.969090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.969090 (E_RNA) where: Base-Base interactions energy: -1866.699 where: short stacking energy: -743.968 Base-Backbone interact. energy: -1.583 local terms energy: -759.687268 where: bonds (distance) C4'-P energy: -110.925 bonds (distance) P-C4' energy: -154.910 flat angles C4'-P-C4' energy: -157.383 flat angles P-C4'-P energy: -112.237 tors. eta vs tors. theta energy: -224.232 Dist. restrs. and SS energy: 0.000 (S_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: 390 Temperature: 1.050000 Total energy: -2541.771778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.771778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.771778 (E_RNA) where: Base-Base interactions energy: -1787.621 where: short stacking energy: -718.924 Base-Backbone interact. energy: -1.594 local terms energy: -752.557012 where: bonds (distance) C4'-P energy: -119.262 bonds (distance) P-C4' energy: -156.253 flat angles C4'-P-C4' energy: -153.314 flat angles P-C4'-P energy: -108.239 tors. eta vs tors. theta energy: -215.489 Dist. restrs. and SS energy: 0.000 (S_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: 390 Temperature: 1.100000 Total energy: -2511.621725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.621725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.621725 (E_RNA) where: Base-Base interactions energy: -1793.732 where: short stacking energy: -722.542 Base-Backbone interact. energy: -1.641 local terms energy: -716.248522 where: bonds (distance) C4'-P energy: -101.275 bonds (distance) P-C4' energy: -145.302 flat angles C4'-P-C4' energy: -149.574 flat angles P-C4'-P energy: -106.868 tors. eta vs tors. theta energy: -213.230 Dist. restrs. and SS energy: 0.000 (S_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: 390 Temperature: 1.150000 Total energy: -2385.821322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.821322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.821322 (E_RNA) where: Base-Base interactions energy: -1698.646 where: short stacking energy: -694.021 Base-Backbone interact. energy: -3.044 local terms energy: -684.131097 where: bonds (distance) C4'-P energy: -96.263 bonds (distance) P-C4' energy: -138.262 flat angles C4'-P-C4' energy: -150.547 flat angles P-C4'-P energy: -94.175 tors. eta vs tors. theta energy: -204.884 Dist. restrs. and SS energy: 0.000 (S_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: 390 Temperature: 1.200000 Total energy: -2429.393360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.393360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.393360 (E_RNA) where: Base-Base interactions energy: -1716.362 where: short stacking energy: -692.592 Base-Backbone interact. energy: -3.353 local terms energy: -709.679112 where: bonds (distance) C4'-P energy: -112.615 bonds (distance) P-C4' energy: -135.115 flat angles C4'-P-C4' energy: -152.512 flat angles P-C4'-P energy: -108.133 tors. eta vs tors. theta energy: -201.305 Dist. restrs. and SS energy: 0.000 (S_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: 390 Temperature: 1.250000 Total energy: -2315.959817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.959817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.959817 (E_RNA) where: Base-Base interactions energy: -1650.825 where: short stacking energy: -675.493 Base-Backbone interact. energy: -1.856 local terms energy: -663.279186 where: bonds (distance) C4'-P energy: -99.253 bonds (distance) P-C4' energy: -134.699 flat angles C4'-P-C4' energy: -148.624 flat angles P-C4'-P energy: -92.012 tors. eta vs tors. theta energy: -188.691 Dist. restrs. and SS energy: 0.000 (S_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: 390 Temperature: 1.300000 Total energy: -2220.631082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.631082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.631082 (E_RNA) where: Base-Base interactions energy: -1559.226 where: short stacking energy: -633.525 Base-Backbone interact. energy: 1.834 local terms energy: -663.238728 where: bonds (distance) C4'-P energy: -111.618 bonds (distance) P-C4' energy: -140.000 flat angles C4'-P-C4' energy: -138.592 flat angles P-C4'-P energy: -101.725 tors. eta vs tors. theta energy: -171.304 Dist. restrs. and SS energy: 0.000 (S_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: 390 Temperature: 1.350000 Total energy: -1987.036138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.036138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.036138 (E_RNA) where: Base-Base interactions energy: -1359.417 where: short stacking energy: -559.813 Base-Backbone interact. energy: -1.535 local terms energy: -626.084099 where: bonds (distance) C4'-P energy: -107.299 bonds (distance) P-C4' energy: -127.880 flat angles C4'-P-C4' energy: -139.774 flat angles P-C4'-P energy: -93.817 tors. eta vs tors. theta energy: -157.314 Dist. restrs. and SS energy: 0.000 (S_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: 391 Temperature: 0.900000 Total energy: -2695.759901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.759901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.759901 (E_RNA) where: Base-Base interactions energy: -1917.378 where: short stacking energy: -767.042 Base-Backbone interact. energy: -2.791 local terms energy: -775.591001 where: bonds (distance) C4'-P energy: -115.803 bonds (distance) P-C4' energy: -149.836 flat angles C4'-P-C4' energy: -163.329 flat angles P-C4'-P energy: -114.680 tors. eta vs tors. theta energy: -231.943 Dist. restrs. and SS energy: 0.000 (S_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: 391 Temperature: 0.950000 Total energy: -2645.546155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.546155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.546155 (E_RNA) where: Base-Base interactions energy: -1891.994 where: short stacking energy: -754.783 Base-Backbone interact. energy: -2.074 local terms energy: -751.478740 where: bonds (distance) C4'-P energy: -118.659 bonds (distance) P-C4' energy: -146.104 flat angles C4'-P-C4' energy: -161.075 flat angles P-C4'-P energy: -98.325 tors. eta vs tors. theta energy: -227.315 Dist. restrs. and SS energy: 0.000 (S_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: 391 Temperature: 1.000000 Total energy: -2639.519898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.519898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.519898 (E_RNA) where: Base-Base interactions energy: -1874.337 where: short stacking energy: -732.672 Base-Backbone interact. energy: -1.558 local terms energy: -763.624902 where: bonds (distance) C4'-P energy: -119.108 bonds (distance) P-C4' energy: -149.541 flat angles C4'-P-C4' energy: -162.107 flat angles P-C4'-P energy: -111.598 tors. eta vs tors. theta energy: -221.272 Dist. restrs. and SS energy: 0.000 (S_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: 391 Temperature: 1.050000 Total energy: -2557.492616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.492616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.492616 (E_RNA) where: Base-Base interactions energy: -1808.270 where: short stacking energy: -727.058 Base-Backbone interact. energy: -0.641 local terms energy: -748.581815 where: bonds (distance) C4'-P energy: -108.905 bonds (distance) P-C4' energy: -145.829 flat angles C4'-P-C4' energy: -159.470 flat angles P-C4'-P energy: -107.581 tors. eta vs tors. theta energy: -226.798 Dist. restrs. and SS energy: 0.000 (S_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: 391 Temperature: 1.100000 Total energy: -2505.155110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.155110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.155110 (E_RNA) where: Base-Base interactions energy: -1773.410 where: short stacking energy: -715.948 Base-Backbone interact. energy: -1.361 local terms energy: -730.384346 where: bonds (distance) C4'-P energy: -128.335 bonds (distance) P-C4' energy: -132.793 flat angles C4'-P-C4' energy: -148.851 flat angles P-C4'-P energy: -99.415 tors. eta vs tors. theta energy: -220.991 Dist. restrs. and SS energy: 0.000 (S_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: 391 Temperature: 1.150000 Total energy: -2424.270797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.270797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.270797 (E_RNA) where: Base-Base interactions energy: -1725.480 where: short stacking energy: -697.697 Base-Backbone interact. energy: -1.790 local terms energy: -697.000813 where: bonds (distance) C4'-P energy: -100.094 bonds (distance) P-C4' energy: -145.205 flat angles C4'-P-C4' energy: -141.632 flat angles P-C4'-P energy: -97.132 tors. eta vs tors. theta energy: -212.938 Dist. restrs. and SS energy: 0.000 (S_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: 391 Temperature: 1.200000 Total energy: -2371.480205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.480205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.480205 (E_RNA) where: Base-Base interactions energy: -1702.759 where: short stacking energy: -679.706 Base-Backbone interact. energy: -1.677 local terms energy: -667.045058 where: bonds (distance) C4'-P energy: -98.435 bonds (distance) P-C4' energy: -125.532 flat angles C4'-P-C4' energy: -145.544 flat angles P-C4'-P energy: -94.180 tors. eta vs tors. theta energy: -203.354 Dist. restrs. and SS energy: 0.000 (S_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: 391 Temperature: 1.250000 Total energy: -2302.936079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.936079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.936079 (E_RNA) where: Base-Base interactions energy: -1644.378 where: short stacking energy: -646.951 Base-Backbone interact. energy: 0.159 local terms energy: -658.716413 where: bonds (distance) C4'-P energy: -111.670 bonds (distance) P-C4' energy: -131.222 flat angles C4'-P-C4' energy: -137.790 flat angles P-C4'-P energy: -95.688 tors. eta vs tors. theta energy: -182.346 Dist. restrs. and SS energy: 0.000 (S_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: 391 Temperature: 1.300000 Total energy: -2238.935462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.935462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.935462 (E_RNA) where: Base-Base interactions energy: -1546.585 where: short stacking energy: -638.396 Base-Backbone interact. energy: -1.013 local terms energy: -691.338408 where: bonds (distance) C4'-P energy: -110.201 bonds (distance) P-C4' energy: -145.253 flat angles C4'-P-C4' energy: -150.697 flat angles P-C4'-P energy: -98.353 tors. eta vs tors. theta energy: -186.834 Dist. restrs. and SS energy: 0.000 (S_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: 391 Temperature: 1.350000 Total energy: -1933.234754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.234754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.234754 (E_RNA) where: Base-Base interactions energy: -1328.129 where: short stacking energy: -536.440 Base-Backbone interact. energy: 2.172 local terms energy: -607.277597 where: bonds (distance) C4'-P energy: -112.741 bonds (distance) P-C4' energy: -139.713 flat angles C4'-P-C4' energy: -137.859 flat angles P-C4'-P energy: -75.022 tors. eta vs tors. theta energy: -141.943 Dist. restrs. and SS energy: 0.000 (S_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: 392 Temperature: 0.900000 Total energy: -2695.796679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.796679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.796679 (E_RNA) where: Base-Base interactions energy: -1918.682 where: short stacking energy: -751.405 Base-Backbone interact. energy: 1.362 local terms energy: -778.476682 where: bonds (distance) C4'-P energy: -116.232 bonds (distance) P-C4' energy: -152.762 flat angles C4'-P-C4' energy: -165.787 flat angles P-C4'-P energy: -115.281 tors. eta vs tors. theta energy: -228.414 Dist. restrs. and SS energy: 0.000 (S_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: 392 Temperature: 0.950000 Total energy: -2659.002732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.002732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.002732 (E_RNA) where: Base-Base interactions energy: -1895.270 where: short stacking energy: -756.338 Base-Backbone interact. energy: -1.710 local terms energy: -762.022668 where: bonds (distance) C4'-P energy: -124.370 bonds (distance) P-C4' energy: -141.864 flat angles C4'-P-C4' energy: -164.115 flat angles P-C4'-P energy: -103.508 tors. eta vs tors. theta energy: -228.165 Dist. restrs. and SS energy: 0.000 (S_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: 392 Temperature: 1.000000 Total energy: -2640.034166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.034166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.034166 (E_RNA) where: Base-Base interactions energy: -1895.751 where: short stacking energy: -729.545 Base-Backbone interact. energy: -3.228 local terms energy: -741.055074 where: bonds (distance) C4'-P energy: -113.756 bonds (distance) P-C4' energy: -145.059 flat angles C4'-P-C4' energy: -157.369 flat angles P-C4'-P energy: -110.747 tors. eta vs tors. theta energy: -214.124 Dist. restrs. and SS energy: 0.000 (S_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: 392 Temperature: 1.050000 Total energy: -2590.723624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.723624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.723624 (E_RNA) where: Base-Base interactions energy: -1829.931 where: short stacking energy: -758.933 Base-Backbone interact. energy: -1.759 local terms energy: -759.033615 where: bonds (distance) C4'-P energy: -115.982 bonds (distance) P-C4' energy: -142.841 flat angles C4'-P-C4' energy: -158.435 flat angles P-C4'-P energy: -116.502 tors. eta vs tors. theta energy: -225.273 Dist. restrs. and SS energy: 0.000 (S_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: 392 Temperature: 1.100000 Total energy: -2496.252199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.252199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.252199 (E_RNA) where: Base-Base interactions energy: -1778.057 where: short stacking energy: -712.102 Base-Backbone interact. energy: -1.622 local terms energy: -716.572410 where: bonds (distance) C4'-P energy: -117.248 bonds (distance) P-C4' energy: -127.666 flat angles C4'-P-C4' energy: -153.335 flat angles P-C4'-P energy: -100.400 tors. eta vs tors. theta energy: -217.923 Dist. restrs. and SS energy: 0.000 (S_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: 392 Temperature: 1.150000 Total energy: -2439.141565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.141565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.141565 (E_RNA) where: Base-Base interactions energy: -1712.294 where: short stacking energy: -711.501 Base-Backbone interact. energy: -0.892 local terms energy: -725.955442 where: bonds (distance) C4'-P energy: -108.124 bonds (distance) P-C4' energy: -149.177 flat angles C4'-P-C4' energy: -150.851 flat angles P-C4'-P energy: -104.637 tors. eta vs tors. theta energy: -213.166 Dist. restrs. and SS energy: 0.000 (S_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: 392 Temperature: 1.200000 Total energy: -2363.922824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.922824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.922824 (E_RNA) where: Base-Base interactions energy: -1677.320 where: short stacking energy: -680.716 Base-Backbone interact. energy: -1.807 local terms energy: -684.795095 where: bonds (distance) C4'-P energy: -113.854 bonds (distance) P-C4' energy: -129.132 flat angles C4'-P-C4' energy: -138.028 flat angles P-C4'-P energy: -98.912 tors. eta vs tors. theta energy: -204.870 Dist. restrs. and SS energy: 0.000 (S_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: 392 Temperature: 1.250000 Total energy: -2236.619084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.619084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.619084 (E_RNA) where: Base-Base interactions energy: -1580.105 where: short stacking energy: -628.951 Base-Backbone interact. energy: 0.602 local terms energy: -657.116954 where: bonds (distance) C4'-P energy: -87.887 bonds (distance) P-C4' energy: -146.614 flat angles C4'-P-C4' energy: -155.171 flat angles P-C4'-P energy: -90.258 tors. eta vs tors. theta energy: -177.187 Dist. restrs. and SS energy: 0.000 (S_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: 392 Temperature: 1.300000 Total energy: -2240.308139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.308139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.308139 (E_RNA) where: Base-Base interactions energy: -1577.802 where: short stacking energy: -638.905 Base-Backbone interact. energy: 1.383 local terms energy: -663.888916 where: bonds (distance) C4'-P energy: -91.025 bonds (distance) P-C4' energy: -145.923 flat angles C4'-P-C4' energy: -147.363 flat angles P-C4'-P energy: -89.738 tors. eta vs tors. theta energy: -189.840 Dist. restrs. and SS energy: 0.000 (S_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: 392 Temperature: 1.350000 Total energy: -1965.522921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.522921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.522921 (E_RNA) where: Base-Base interactions energy: -1343.228 where: short stacking energy: -544.403 Base-Backbone interact. energy: -3.049 local terms energy: -619.246514 where: bonds (distance) C4'-P energy: -102.007 bonds (distance) P-C4' energy: -142.956 flat angles C4'-P-C4' energy: -133.605 flat angles P-C4'-P energy: -98.592 tors. eta vs tors. theta energy: -142.087 Dist. restrs. and SS energy: 0.000 (S_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: 393 Temperature: 0.900000 Total energy: -2705.913660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.913660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.913660 (E_RNA) where: Base-Base interactions energy: -1936.927 where: short stacking energy: -754.967 Base-Backbone interact. energy: -2.235 local terms energy: -766.752015 where: bonds (distance) C4'-P energy: -123.924 bonds (distance) P-C4' energy: -151.870 flat angles C4'-P-C4' energy: -160.918 flat angles P-C4'-P energy: -106.995 tors. eta vs tors. theta energy: -223.045 Dist. restrs. and SS energy: 0.000 (S_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: 393 Temperature: 0.950000 Total energy: -2652.767704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.767704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.767704 (E_RNA) where: Base-Base interactions energy: -1910.678 where: short stacking energy: -758.005 Base-Backbone interact. energy: -1.952 local terms energy: -740.136883 where: bonds (distance) C4'-P energy: -110.937 bonds (distance) P-C4' energy: -147.257 flat angles C4'-P-C4' energy: -161.306 flat angles P-C4'-P energy: -109.242 tors. eta vs tors. theta energy: -211.394 Dist. restrs. and SS energy: 0.000 (S_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: 393 Temperature: 1.000000 Total energy: -2648.577243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.577243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.577243 (E_RNA) where: Base-Base interactions energy: -1871.311 where: short stacking energy: -745.454 Base-Backbone interact. energy: -2.070 local terms energy: -775.195845 where: bonds (distance) C4'-P energy: -124.665 bonds (distance) P-C4' energy: -157.804 flat angles C4'-P-C4' energy: -157.361 flat angles P-C4'-P energy: -107.787 tors. eta vs tors. theta energy: -227.578 Dist. restrs. and SS energy: 0.000 (S_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: 393 Temperature: 1.050000 Total energy: -2538.623925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.623925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.623925 (E_RNA) where: Base-Base interactions energy: -1806.325 where: short stacking energy: -741.857 Base-Backbone interact. energy: -1.639 local terms energy: -730.659930 where: bonds (distance) C4'-P energy: -108.417 bonds (distance) P-C4' energy: -139.994 flat angles C4'-P-C4' energy: -152.919 flat angles P-C4'-P energy: -103.057 tors. eta vs tors. theta energy: -226.274 Dist. restrs. and SS energy: 0.000 (S_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: 393 Temperature: 1.100000 Total energy: -2486.768302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.768302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.768302 (E_RNA) where: Base-Base interactions energy: -1738.105 where: short stacking energy: -716.648 Base-Backbone interact. energy: -1.675 local terms energy: -746.988432 where: bonds (distance) C4'-P energy: -115.776 bonds (distance) P-C4' energy: -149.058 flat angles C4'-P-C4' energy: -156.803 flat angles P-C4'-P energy: -109.119 tors. eta vs tors. theta energy: -216.232 Dist. restrs. and SS energy: 0.000 (S_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: 393 Temperature: 1.150000 Total energy: -2419.269535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.269535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.269535 (E_RNA) where: Base-Base interactions energy: -1701.910 where: short stacking energy: -669.492 Base-Backbone interact. energy: -3.408 local terms energy: -713.951362 where: bonds (distance) C4'-P energy: -111.410 bonds (distance) P-C4' energy: -149.718 flat angles C4'-P-C4' energy: -148.939 flat angles P-C4'-P energy: -97.632 tors. eta vs tors. theta energy: -206.252 Dist. restrs. and SS energy: 0.000 (S_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: 393 Temperature: 1.200000 Total energy: -2348.189182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.189182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.189182 (E_RNA) where: Base-Base interactions energy: -1657.725 where: short stacking energy: -691.693 Base-Backbone interact. energy: -0.962 local terms energy: -689.502053 where: bonds (distance) C4'-P energy: -109.642 bonds (distance) P-C4' energy: -141.170 flat angles C4'-P-C4' energy: -145.236 flat angles P-C4'-P energy: -102.185 tors. eta vs tors. theta energy: -191.269 Dist. restrs. and SS energy: 0.000 (S_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: 393 Temperature: 1.250000 Total energy: -2301.551853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.551853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.551853 (E_RNA) where: Base-Base interactions energy: -1625.978 where: short stacking energy: -660.093 Base-Backbone interact. energy: -1.488 local terms energy: -674.086069 where: bonds (distance) C4'-P energy: -107.138 bonds (distance) P-C4' energy: -135.559 flat angles C4'-P-C4' energy: -151.706 flat angles P-C4'-P energy: -98.848 tors. eta vs tors. theta energy: -180.836 Dist. restrs. and SS energy: 0.000 (S_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: 393 Temperature: 1.300000 Total energy: -2295.163323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.163323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.163323 (E_RNA) where: Base-Base interactions energy: -1638.134 where: short stacking energy: -652.558 Base-Backbone interact. energy: 0.193 local terms energy: -657.222368 where: bonds (distance) C4'-P energy: -108.753 bonds (distance) P-C4' energy: -137.037 flat angles C4'-P-C4' energy: -131.460 flat angles P-C4'-P energy: -86.002 tors. eta vs tors. theta energy: -193.970 Dist. restrs. and SS energy: 0.000 (S_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: 393 Temperature: 1.350000 Total energy: -2027.063077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.063077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.063077 (E_RNA) where: Base-Base interactions energy: -1406.330 where: short stacking energy: -591.407 Base-Backbone interact. energy: -1.594 local terms energy: -619.139948 where: bonds (distance) C4'-P energy: -90.463 bonds (distance) P-C4' energy: -136.066 flat angles C4'-P-C4' energy: -142.084 flat angles P-C4'-P energy: -86.135 tors. eta vs tors. theta energy: -164.392 Dist. restrs. and SS energy: 0.000 (S_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: 394 Temperature: 0.900000 Total energy: -2698.913537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.913537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.913537 (E_RNA) where: Base-Base interactions energy: -1925.373 where: short stacking energy: -754.625 Base-Backbone interact. energy: -2.342 local terms energy: -771.198824 where: bonds (distance) C4'-P energy: -121.869 bonds (distance) P-C4' energy: -151.441 flat angles C4'-P-C4' energy: -163.481 flat angles P-C4'-P energy: -112.969 tors. eta vs tors. theta energy: -221.438 Dist. restrs. and SS energy: 0.000 (S_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: 394 Temperature: 0.950000 Total energy: -2646.349253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.349253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.349253 (E_RNA) where: Base-Base interactions energy: -1869.740 where: short stacking energy: -715.547 Base-Backbone interact. energy: -3.687 local terms energy: -772.922330 where: bonds (distance) C4'-P energy: -121.451 bonds (distance) P-C4' energy: -161.013 flat angles C4'-P-C4' energy: -160.007 flat angles P-C4'-P energy: -115.429 tors. eta vs tors. theta energy: -215.023 Dist. restrs. and SS energy: 0.000 (S_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: 394 Temperature: 1.000000 Total energy: -2643.514508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.514508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.514508 (E_RNA) where: Base-Base interactions energy: -1890.151 where: short stacking energy: -745.244 Base-Backbone interact. energy: -1.286 local terms energy: -752.077960 where: bonds (distance) C4'-P energy: -118.070 bonds (distance) P-C4' energy: -148.887 flat angles C4'-P-C4' energy: -160.575 flat angles P-C4'-P energy: -103.125 tors. eta vs tors. theta energy: -221.422 Dist. restrs. and SS energy: 0.000 (S_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: 394 Temperature: 1.050000 Total energy: -2560.020283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.020283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.020283 (E_RNA) where: Base-Base interactions energy: -1821.449 where: short stacking energy: -733.847 Base-Backbone interact. energy: -0.770 local terms energy: -737.801301 where: bonds (distance) C4'-P energy: -113.793 bonds (distance) P-C4' energy: -150.526 flat angles C4'-P-C4' energy: -141.613 flat angles P-C4'-P energy: -106.526 tors. eta vs tors. theta energy: -225.343 Dist. restrs. and SS energy: 0.000 (S_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: 394 Temperature: 1.100000 Total energy: -2464.170187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.170187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.170187 (E_RNA) where: Base-Base interactions energy: -1755.433 where: short stacking energy: -713.730 Base-Backbone interact. energy: -1.987 local terms energy: -706.749917 where: bonds (distance) C4'-P energy: -108.927 bonds (distance) P-C4' energy: -144.678 flat angles C4'-P-C4' energy: -141.649 flat angles P-C4'-P energy: -105.702 tors. eta vs tors. theta energy: -205.794 Dist. restrs. and SS energy: 0.000 (S_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: 394 Temperature: 1.150000 Total energy: -2478.101566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.101566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.101566 (E_RNA) where: Base-Base interactions energy: -1755.121 where: short stacking energy: -719.871 Base-Backbone interact. energy: -1.541 local terms energy: -721.439084 where: bonds (distance) C4'-P energy: -114.793 bonds (distance) P-C4' energy: -140.766 flat angles C4'-P-C4' energy: -153.463 flat angles P-C4'-P energy: -99.527 tors. eta vs tors. theta energy: -212.891 Dist. restrs. and SS energy: 0.000 (S_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: 394 Temperature: 1.200000 Total energy: -2323.352087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.352087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.352087 (E_RNA) where: Base-Base interactions energy: -1647.797 where: short stacking energy: -663.205 Base-Backbone interact. energy: -2.436 local terms energy: -673.118884 where: bonds (distance) C4'-P energy: -86.789 bonds (distance) P-C4' energy: -140.072 flat angles C4'-P-C4' energy: -151.758 flat angles P-C4'-P energy: -98.662 tors. eta vs tors. theta energy: -195.838 Dist. restrs. and SS energy: 0.000 (S_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: 394 Temperature: 1.250000 Total energy: -2262.023223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.023223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.023223 (E_RNA) where: Base-Base interactions energy: -1591.941 where: short stacking energy: -665.643 Base-Backbone interact. energy: -0.145 local terms energy: -669.937508 where: bonds (distance) C4'-P energy: -83.819 bonds (distance) P-C4' energy: -134.509 flat angles C4'-P-C4' energy: -149.144 flat angles P-C4'-P energy: -111.163 tors. eta vs tors. theta energy: -191.304 Dist. restrs. and SS energy: 0.000 (S_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: 394 Temperature: 1.300000 Total energy: -2275.203811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.203811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.203811 (E_RNA) where: Base-Base interactions energy: -1589.475 where: short stacking energy: -637.436 Base-Backbone interact. energy: -1.316 local terms energy: -684.412441 where: bonds (distance) C4'-P energy: -118.260 bonds (distance) P-C4' energy: -133.962 flat angles C4'-P-C4' energy: -135.174 flat angles P-C4'-P energy: -101.667 tors. eta vs tors. theta energy: -195.350 Dist. restrs. and SS energy: 0.000 (S_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: 394 Temperature: 1.350000 Total energy: -1990.770853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.770853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.770853 (E_RNA) where: Base-Base interactions energy: -1365.514 where: short stacking energy: -563.189 Base-Backbone interact. energy: -2.488 local terms energy: -622.769141 where: bonds (distance) C4'-P energy: -112.212 bonds (distance) P-C4' energy: -139.441 flat angles C4'-P-C4' energy: -135.348 flat angles P-C4'-P energy: -81.968 tors. eta vs tors. theta energy: -153.800 Dist. restrs. and SS energy: 0.000 (S_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: 395 Temperature: 0.900000 Total energy: -2718.807526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.807526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.807526 (E_RNA) where: Base-Base interactions energy: -1931.470 where: short stacking energy: -768.475 Base-Backbone interact. energy: -4.351 local terms energy: -782.986616 where: bonds (distance) C4'-P energy: -119.640 bonds (distance) P-C4' energy: -157.175 flat angles C4'-P-C4' energy: -166.097 flat angles P-C4'-P energy: -109.412 tors. eta vs tors. theta energy: -230.662 Dist. restrs. and SS energy: 0.000 (S_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: 395 Temperature: 0.950000 Total energy: -2660.611790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.611790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.611790 (E_RNA) where: Base-Base interactions energy: -1889.988 where: short stacking energy: -745.946 Base-Backbone interact. energy: -3.421 local terms energy: -767.202694 where: bonds (distance) C4'-P energy: -119.622 bonds (distance) P-C4' energy: -151.057 flat angles C4'-P-C4' energy: -156.789 flat angles P-C4'-P energy: -118.681 tors. eta vs tors. theta energy: -221.055 Dist. restrs. and SS energy: 0.000 (S_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: 395 Temperature: 1.000000 Total energy: -2633.400667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.400667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.400667 (E_RNA) where: Base-Base interactions energy: -1881.843 where: short stacking energy: -739.465 Base-Backbone interact. energy: -3.045 local terms energy: -748.512879 where: bonds (distance) C4'-P energy: -121.440 bonds (distance) P-C4' energy: -143.929 flat angles C4'-P-C4' energy: -158.645 flat angles P-C4'-P energy: -102.943 tors. eta vs tors. theta energy: -221.556 Dist. restrs. and SS energy: 0.000 (S_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: 395 Temperature: 1.050000 Total energy: -2539.423796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.423796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.423796 (E_RNA) where: Base-Base interactions energy: -1796.306 where: short stacking energy: -735.529 Base-Backbone interact. energy: -1.976 local terms energy: -741.141661 where: bonds (distance) C4'-P energy: -111.560 bonds (distance) P-C4' energy: -134.670 flat angles C4'-P-C4' energy: -163.414 flat angles P-C4'-P energy: -109.408 tors. eta vs tors. theta energy: -222.090 Dist. restrs. and SS energy: 0.000 (S_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: 395 Temperature: 1.100000 Total energy: -2500.597784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.597784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.597784 (E_RNA) where: Base-Base interactions energy: -1774.783 where: short stacking energy: -733.700 Base-Backbone interact. energy: -2.818 local terms energy: -722.996859 where: bonds (distance) C4'-P energy: -104.230 bonds (distance) P-C4' energy: -142.263 flat angles C4'-P-C4' energy: -147.263 flat angles P-C4'-P energy: -108.836 tors. eta vs tors. theta energy: -220.403 Dist. restrs. and SS energy: 0.000 (S_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: 395 Temperature: 1.150000 Total energy: -2447.413494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.413494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.413494 (E_RNA) where: Base-Base interactions energy: -1721.891 where: short stacking energy: -695.720 Base-Backbone interact. energy: -0.025 local terms energy: -725.497361 where: bonds (distance) C4'-P energy: -116.726 bonds (distance) P-C4' energy: -140.301 flat angles C4'-P-C4' energy: -150.949 flat angles P-C4'-P energy: -106.236 tors. eta vs tors. theta energy: -211.285 Dist. restrs. and SS energy: 0.000 (S_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: 395 Temperature: 1.200000 Total energy: -2360.061892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.061892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.061892 (E_RNA) where: Base-Base interactions energy: -1650.673 where: short stacking energy: -674.653 Base-Backbone interact. energy: -2.079 local terms energy: -707.309358 where: bonds (distance) C4'-P energy: -121.178 bonds (distance) P-C4' energy: -141.708 flat angles C4'-P-C4' energy: -150.975 flat angles P-C4'-P energy: -99.438 tors. eta vs tors. theta energy: -194.011 Dist. restrs. and SS energy: 0.000 (S_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: 395 Temperature: 1.250000 Total energy: -2252.104678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.104678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.104678 (E_RNA) where: Base-Base interactions energy: -1571.783 where: short stacking energy: -634.070 Base-Backbone interact. energy: 0.685 local terms energy: -681.007417 where: bonds (distance) C4'-P energy: -116.368 bonds (distance) P-C4' energy: -144.836 flat angles C4'-P-C4' energy: -133.223 flat angles P-C4'-P energy: -101.367 tors. eta vs tors. theta energy: -185.214 Dist. restrs. and SS energy: 0.000 (S_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: 395 Temperature: 1.300000 Total energy: -2217.231607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.231607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.231607 (E_RNA) where: Base-Base interactions energy: -1556.647 where: short stacking energy: -643.608 Base-Backbone interact. energy: -2.768 local terms energy: -657.816502 where: bonds (distance) C4'-P energy: -103.694 bonds (distance) P-C4' energy: -141.908 flat angles C4'-P-C4' energy: -144.456 flat angles P-C4'-P energy: -92.026 tors. eta vs tors. theta energy: -175.733 Dist. restrs. and SS energy: 0.000 (S_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: 395 Temperature: 1.350000 Total energy: -2064.088726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.088726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.088726 (E_RNA) where: Base-Base interactions energy: -1415.796 where: short stacking energy: -566.060 Base-Backbone interact. energy: -1.867 local terms energy: -646.425576 where: bonds (distance) C4'-P energy: -98.880 bonds (distance) P-C4' energy: -152.283 flat angles C4'-P-C4' energy: -136.817 flat angles P-C4'-P energy: -86.237 tors. eta vs tors. theta energy: -172.207 Dist. restrs. and SS energy: 0.000 (S_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: 396 Temperature: 0.900000 Total energy: -2695.586022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.586022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.586022 (E_RNA) where: Base-Base interactions energy: -1907.906 where: short stacking energy: -753.021 Base-Backbone interact. energy: -3.844 local terms energy: -783.835758 where: bonds (distance) C4'-P energy: -132.497 bonds (distance) P-C4' energy: -159.068 flat angles C4'-P-C4' energy: -161.085 flat angles P-C4'-P energy: -107.639 tors. eta vs tors. theta energy: -223.547 Dist. restrs. and SS energy: 0.000 (S_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: 396 Temperature: 0.950000 Total energy: -2656.174347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.174347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.174347 (E_RNA) where: Base-Base interactions energy: -1908.963 where: short stacking energy: -746.937 Base-Backbone interact. energy: -2.062 local terms energy: -745.148996 where: bonds (distance) C4'-P energy: -107.168 bonds (distance) P-C4' energy: -152.295 flat angles C4'-P-C4' energy: -155.487 flat angles P-C4'-P energy: -105.069 tors. eta vs tors. theta energy: -225.130 Dist. restrs. and SS energy: 0.000 (S_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: 396 Temperature: 1.000000 Total energy: -2666.314493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.314493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.314493 (E_RNA) where: Base-Base interactions energy: -1914.509 where: short stacking energy: -757.029 Base-Backbone interact. energy: -0.698 local terms energy: -751.107642 where: bonds (distance) C4'-P energy: -116.088 bonds (distance) P-C4' energy: -145.701 flat angles C4'-P-C4' energy: -160.101 flat angles P-C4'-P energy: -101.175 tors. eta vs tors. theta energy: -228.042 Dist. restrs. and SS energy: 0.000 (S_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: 396 Temperature: 1.050000 Total energy: -2503.108332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.108332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.108332 (E_RNA) where: Base-Base interactions energy: -1752.462 where: short stacking energy: -700.258 Base-Backbone interact. energy: -1.978 local terms energy: -748.668499 where: bonds (distance) C4'-P energy: -123.867 bonds (distance) P-C4' energy: -146.024 flat angles C4'-P-C4' energy: -156.157 flat angles P-C4'-P energy: -108.403 tors. eta vs tors. theta energy: -214.217 Dist. restrs. and SS energy: 0.000 (S_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: 396 Temperature: 1.100000 Total energy: -2499.753291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.753291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.753291 (E_RNA) where: Base-Base interactions energy: -1767.714 where: short stacking energy: -709.884 Base-Backbone interact. energy: -0.830 local terms energy: -731.209580 where: bonds (distance) C4'-P energy: -116.254 bonds (distance) P-C4' energy: -140.879 flat angles C4'-P-C4' energy: -155.477 flat angles P-C4'-P energy: -105.176 tors. eta vs tors. theta energy: -213.424 Dist. restrs. and SS energy: 0.000 (S_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: 396 Temperature: 1.150000 Total energy: -2452.508732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.508732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.508732 (E_RNA) where: Base-Base interactions energy: -1733.239 where: short stacking energy: -710.192 Base-Backbone interact. energy: -2.033 local terms energy: -717.236911 where: bonds (distance) C4'-P energy: -102.702 bonds (distance) P-C4' energy: -138.833 flat angles C4'-P-C4' energy: -160.763 flat angles P-C4'-P energy: -105.656 tors. eta vs tors. theta energy: -209.283 Dist. restrs. and SS energy: 0.000 (S_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: 396 Temperature: 1.200000 Total energy: -2354.305042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.305042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.305042 (E_RNA) where: Base-Base interactions energy: -1642.528 where: short stacking energy: -662.592 Base-Backbone interact. energy: -2.712 local terms energy: -709.065130 where: bonds (distance) C4'-P energy: -111.477 bonds (distance) P-C4' energy: -144.363 flat angles C4'-P-C4' energy: -149.357 flat angles P-C4'-P energy: -100.424 tors. eta vs tors. theta energy: -203.444 Dist. restrs. and SS energy: 0.000 (S_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: 396 Temperature: 1.250000 Total energy: -2269.259296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.259296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.259296 (E_RNA) where: Base-Base interactions energy: -1612.203 where: short stacking energy: -653.112 Base-Backbone interact. energy: -1.859 local terms energy: -655.196630 where: bonds (distance) C4'-P energy: -107.216 bonds (distance) P-C4' energy: -133.125 flat angles C4'-P-C4' energy: -143.376 flat angles P-C4'-P energy: -86.159 tors. eta vs tors. theta energy: -185.320 Dist. restrs. and SS energy: 0.000 (S_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: 396 Temperature: 1.300000 Total energy: -2179.118272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.118272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.118272 (E_RNA) where: Base-Base interactions energy: -1522.699 where: short stacking energy: -617.443 Base-Backbone interact. energy: -2.462 local terms energy: -653.956638 where: bonds (distance) C4'-P energy: -109.663 bonds (distance) P-C4' energy: -145.791 flat angles C4'-P-C4' energy: -141.169 flat angles P-C4'-P energy: -81.558 tors. eta vs tors. theta energy: -175.775 Dist. restrs. and SS energy: 0.000 (S_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: 396 Temperature: 1.350000 Total energy: -2096.395440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.395440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.395440 (E_RNA) where: Base-Base interactions energy: -1432.151 where: short stacking energy: -601.660 Base-Backbone interact. energy: 1.384 local terms energy: -665.628064 where: bonds (distance) C4'-P energy: -115.471 bonds (distance) P-C4' energy: -144.261 flat angles C4'-P-C4' energy: -143.248 flat angles P-C4'-P energy: -86.526 tors. eta vs tors. theta energy: -176.122 Dist. restrs. and SS energy: 0.000 (S_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: 397 Temperature: 0.900000 Total energy: -2716.641551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.641551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.641551 (E_RNA) where: Base-Base interactions energy: -1945.595 where: short stacking energy: -762.654 Base-Backbone interact. energy: -2.159 local terms energy: -768.887177 where: bonds (distance) C4'-P energy: -120.156 bonds (distance) P-C4' energy: -159.334 flat angles C4'-P-C4' energy: -162.313 flat angles P-C4'-P energy: -103.136 tors. eta vs tors. theta energy: -223.948 Dist. restrs. and SS energy: 0.000 (S_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: 397 Temperature: 0.950000 Total energy: -2662.041546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.041546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.041546 (E_RNA) where: Base-Base interactions energy: -1916.902 where: short stacking energy: -753.823 Base-Backbone interact. energy: -1.564 local terms energy: -743.575281 where: bonds (distance) C4'-P energy: -122.079 bonds (distance) P-C4' energy: -150.237 flat angles C4'-P-C4' energy: -145.666 flat angles P-C4'-P energy: -108.004 tors. eta vs tors. theta energy: -217.589 Dist. restrs. and SS energy: 0.000 (S_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: 397 Temperature: 1.000000 Total energy: -2642.201634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.201634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.201634 (E_RNA) where: Base-Base interactions energy: -1902.279 where: short stacking energy: -747.060 Base-Backbone interact. energy: -1.214 local terms energy: -738.709562 where: bonds (distance) C4'-P energy: -119.360 bonds (distance) P-C4' energy: -136.239 flat angles C4'-P-C4' energy: -154.190 flat angles P-C4'-P energy: -102.029 tors. eta vs tors. theta energy: -226.893 Dist. restrs. and SS energy: 0.000 (S_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: 397 Temperature: 1.050000 Total energy: -2537.458641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.458641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.458641 (E_RNA) where: Base-Base interactions energy: -1806.827 where: short stacking energy: -744.819 Base-Backbone interact. energy: -1.539 local terms energy: -729.092543 where: bonds (distance) C4'-P energy: -114.677 bonds (distance) P-C4' energy: -138.667 flat angles C4'-P-C4' energy: -154.386 flat angles P-C4'-P energy: -101.145 tors. eta vs tors. theta energy: -220.218 Dist. restrs. and SS energy: 0.000 (S_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: 397 Temperature: 1.100000 Total energy: -2478.990895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.990895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.990895 (E_RNA) where: Base-Base interactions energy: -1758.508 where: short stacking energy: -728.997 Base-Backbone interact. energy: 1.585 local terms energy: -722.067118 where: bonds (distance) C4'-P energy: -116.762 bonds (distance) P-C4' energy: -138.747 flat angles C4'-P-C4' energy: -157.961 flat angles P-C4'-P energy: -97.325 tors. eta vs tors. theta energy: -211.271 Dist. restrs. and SS energy: 0.000 (S_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: 397 Temperature: 1.150000 Total energy: -2364.295256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.295256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.295256 (E_RNA) where: Base-Base interactions energy: -1647.481 where: short stacking energy: -680.520 Base-Backbone interact. energy: -0.892 local terms energy: -715.922878 where: bonds (distance) C4'-P energy: -118.842 bonds (distance) P-C4' energy: -139.946 flat angles C4'-P-C4' energy: -155.740 flat angles P-C4'-P energy: -99.114 tors. eta vs tors. theta energy: -202.281 Dist. restrs. and SS energy: 0.000 (S_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: 397 Temperature: 1.200000 Total energy: -2405.894920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.894920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.894920 (E_RNA) where: Base-Base interactions energy: -1687.708 where: short stacking energy: -677.153 Base-Backbone interact. energy: -0.143 local terms energy: -718.043127 where: bonds (distance) C4'-P energy: -110.473 bonds (distance) P-C4' energy: -144.927 flat angles C4'-P-C4' energy: -149.174 flat angles P-C4'-P energy: -105.874 tors. eta vs tors. theta energy: -207.595 Dist. restrs. and SS energy: 0.000 (S_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: 397 Temperature: 1.250000 Total energy: -2345.117302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.117302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.117302 (E_RNA) where: Base-Base interactions energy: -1670.845 where: short stacking energy: -670.529 Base-Backbone interact. energy: -1.981 local terms energy: -672.290654 where: bonds (distance) C4'-P energy: -107.540 bonds (distance) P-C4' energy: -136.725 flat angles C4'-P-C4' energy: -142.088 flat angles P-C4'-P energy: -93.029 tors. eta vs tors. theta energy: -192.908 Dist. restrs. and SS energy: 0.000 (S_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: 397 Temperature: 1.300000 Total energy: -2211.857157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.857157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.857157 (E_RNA) where: Base-Base interactions energy: -1548.774 where: short stacking energy: -625.426 Base-Backbone interact. energy: -1.571 local terms energy: -661.512222 where: bonds (distance) C4'-P energy: -110.135 bonds (distance) P-C4' energy: -142.292 flat angles C4'-P-C4' energy: -135.894 flat angles P-C4'-P energy: -94.034 tors. eta vs tors. theta energy: -179.157 Dist. restrs. and SS energy: 0.000 (S_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: 397 Temperature: 1.350000 Total energy: -2080.651131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.651131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.651131 (E_RNA) where: Base-Base interactions energy: -1433.684 where: short stacking energy: -594.673 Base-Backbone interact. energy: -1.542 local terms energy: -645.424649 where: bonds (distance) C4'-P energy: -120.950 bonds (distance) P-C4' energy: -138.880 flat angles C4'-P-C4' energy: -136.222 flat angles P-C4'-P energy: -81.838 tors. eta vs tors. theta energy: -167.535 Dist. restrs. and SS energy: 0.000 (S_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: 398 Temperature: 0.900000 Total energy: -2716.143601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.143601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.143601 (E_RNA) where: Base-Base interactions energy: -1929.914 where: short stacking energy: -769.934 Base-Backbone interact. energy: -2.161 local terms energy: -784.068430 where: bonds (distance) C4'-P energy: -120.127 bonds (distance) P-C4' energy: -161.475 flat angles C4'-P-C4' energy: -163.432 flat angles P-C4'-P energy: -113.490 tors. eta vs tors. theta energy: -225.545 Dist. restrs. and SS energy: 0.000 (S_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: 398 Temperature: 0.950000 Total energy: -2658.911009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.911009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.911009 (E_RNA) where: Base-Base interactions energy: -1878.820 where: short stacking energy: -733.715 Base-Backbone interact. energy: -2.437 local terms energy: -777.653727 where: bonds (distance) C4'-P energy: -133.258 bonds (distance) P-C4' energy: -153.507 flat angles C4'-P-C4' energy: -155.362 flat angles P-C4'-P energy: -111.263 tors. eta vs tors. theta energy: -224.264 Dist. restrs. and SS energy: 0.000 (S_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: 398 Temperature: 1.000000 Total energy: -2656.725882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.725882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.725882 (E_RNA) where: Base-Base interactions energy: -1900.351 where: short stacking energy: -759.102 Base-Backbone interact. energy: -2.961 local terms energy: -753.413407 where: bonds (distance) C4'-P energy: -114.827 bonds (distance) P-C4' energy: -148.504 flat angles C4'-P-C4' energy: -151.404 flat angles P-C4'-P energy: -111.549 tors. eta vs tors. theta energy: -227.130 Dist. restrs. and SS energy: 0.000 (S_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: 398 Temperature: 1.050000 Total energy: -2520.704986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.704986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.704986 (E_RNA) where: Base-Base interactions energy: -1784.769 where: short stacking energy: -723.343 Base-Backbone interact. energy: 1.142 local terms energy: -737.078303 where: bonds (distance) C4'-P energy: -122.381 bonds (distance) P-C4' energy: -142.528 flat angles C4'-P-C4' energy: -161.831 flat angles P-C4'-P energy: -101.386 tors. eta vs tors. theta energy: -208.953 Dist. restrs. and SS energy: 0.000 (S_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: 398 Temperature: 1.100000 Total energy: -2392.858172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.858172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.858172 (E_RNA) where: Base-Base interactions energy: -1687.486 where: short stacking energy: -692.101 Base-Backbone interact. energy: -0.788 local terms energy: -704.583942 where: bonds (distance) C4'-P energy: -105.047 bonds (distance) P-C4' energy: -151.509 flat angles C4'-P-C4' energy: -150.321 flat angles P-C4'-P energy: -100.334 tors. eta vs tors. theta energy: -197.373 Dist. restrs. and SS energy: 0.000 (S_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: 398 Temperature: 1.150000 Total energy: -2478.776691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.776691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.776691 (E_RNA) where: Base-Base interactions energy: -1767.526 where: short stacking energy: -714.611 Base-Backbone interact. energy: -2.376 local terms energy: -708.874636 where: bonds (distance) C4'-P energy: -106.832 bonds (distance) P-C4' energy: -136.687 flat angles C4'-P-C4' energy: -146.262 flat angles P-C4'-P energy: -108.556 tors. eta vs tors. theta energy: -210.537 Dist. restrs. and SS energy: 0.000 (S_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: 398 Temperature: 1.200000 Total energy: -2409.681691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.681691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.681691 (E_RNA) where: Base-Base interactions energy: -1719.323 where: short stacking energy: -694.278 Base-Backbone interact. energy: -1.744 local terms energy: -688.613860 where: bonds (distance) C4'-P energy: -102.440 bonds (distance) P-C4' energy: -130.089 flat angles C4'-P-C4' energy: -146.736 flat angles P-C4'-P energy: -98.287 tors. eta vs tors. theta energy: -211.061 Dist. restrs. and SS energy: 0.000 (S_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: 398 Temperature: 1.250000 Total energy: -2330.786870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.786870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.786870 (E_RNA) where: Base-Base interactions energy: -1626.464 where: short stacking energy: -655.809 Base-Backbone interact. energy: -1.062 local terms energy: -703.261343 where: bonds (distance) C4'-P energy: -106.046 bonds (distance) P-C4' energy: -150.920 flat angles C4'-P-C4' energy: -148.757 flat angles P-C4'-P energy: -103.503 tors. eta vs tors. theta energy: -194.035 Dist. restrs. and SS energy: 0.000 (S_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: 398 Temperature: 1.300000 Total energy: -2216.891223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.891223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.891223 (E_RNA) where: Base-Base interactions energy: -1543.532 where: short stacking energy: -633.454 Base-Backbone interact. energy: -0.719 local terms energy: -672.640344 where: bonds (distance) C4'-P energy: -114.334 bonds (distance) P-C4' energy: -135.870 flat angles C4'-P-C4' energy: -147.353 flat angles P-C4'-P energy: -94.229 tors. eta vs tors. theta energy: -180.854 Dist. restrs. and SS energy: 0.000 (S_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: 398 Temperature: 1.350000 Total energy: -2111.396927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.396927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.396927 (E_RNA) where: Base-Base interactions energy: -1460.261 where: short stacking energy: -598.505 Base-Backbone interact. energy: -0.340 local terms energy: -650.796383 where: bonds (distance) C4'-P energy: -118.090 bonds (distance) P-C4' energy: -134.940 flat angles C4'-P-C4' energy: -131.910 flat angles P-C4'-P energy: -86.393 tors. eta vs tors. theta energy: -179.464 Dist. restrs. and SS energy: 0.000 (S_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: 399 Temperature: 0.900000 Total energy: -2720.782595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.782595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.782595 (E_RNA) where: Base-Base interactions energy: -1940.494 where: short stacking energy: -757.250 Base-Backbone interact. energy: -2.491 local terms energy: -777.797332 where: bonds (distance) C4'-P energy: -129.381 bonds (distance) P-C4' energy: -151.846 flat angles C4'-P-C4' energy: -162.058 flat angles P-C4'-P energy: -110.377 tors. eta vs tors. theta energy: -224.136 Dist. restrs. and SS energy: 0.000 (S_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: 399 Temperature: 0.950000 Total energy: -2678.003448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.003448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.003448 (E_RNA) where: Base-Base interactions energy: -1911.837 where: short stacking energy: -770.947 Base-Backbone interact. energy: -2.533 local terms energy: -763.632949 where: bonds (distance) C4'-P energy: -118.169 bonds (distance) P-C4' energy: -143.400 flat angles C4'-P-C4' energy: -162.472 flat angles P-C4'-P energy: -112.840 tors. eta vs tors. theta energy: -226.752 Dist. restrs. and SS energy: 0.000 (S_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: 399 Temperature: 1.000000 Total energy: -2629.156401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.156401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.156401 (E_RNA) where: Base-Base interactions energy: -1875.297 where: short stacking energy: -737.887 Base-Backbone interact. energy: 0.321 local terms energy: -754.180528 where: bonds (distance) C4'-P energy: -129.309 bonds (distance) P-C4' energy: -144.142 flat angles C4'-P-C4' energy: -159.298 flat angles P-C4'-P energy: -103.949 tors. eta vs tors. theta energy: -217.483 Dist. restrs. and SS energy: 0.000 (S_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: 399 Temperature: 1.050000 Total energy: -2513.083588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.083588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.083588 (E_RNA) where: Base-Base interactions energy: -1762.704 where: short stacking energy: -716.337 Base-Backbone interact. energy: -2.628 local terms energy: -747.751563 where: bonds (distance) C4'-P energy: -113.952 bonds (distance) P-C4' energy: -152.655 flat angles C4'-P-C4' energy: -159.303 flat angles P-C4'-P energy: -111.883 tors. eta vs tors. theta energy: -209.959 Dist. restrs. and SS energy: 0.000 (S_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: 399 Temperature: 1.100000 Total energy: -2404.890004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.890004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.890004 (E_RNA) where: Base-Base interactions energy: -1687.692 where: short stacking energy: -704.322 Base-Backbone interact. energy: -3.218 local terms energy: -713.979215 where: bonds (distance) C4'-P energy: -110.946 bonds (distance) P-C4' energy: -146.462 flat angles C4'-P-C4' energy: -137.233 flat angles P-C4'-P energy: -112.951 tors. eta vs tors. theta energy: -206.387 Dist. restrs. and SS energy: 0.000 (S_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: 399 Temperature: 1.150000 Total energy: -2449.632840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.632840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.632840 (E_RNA) where: Base-Base interactions energy: -1724.583 where: short stacking energy: -724.233 Base-Backbone interact. energy: -1.293 local terms energy: -723.757149 where: bonds (distance) C4'-P energy: -101.238 bonds (distance) P-C4' energy: -156.030 flat angles C4'-P-C4' energy: -156.300 flat angles P-C4'-P energy: -100.107 tors. eta vs tors. theta energy: -210.082 Dist. restrs. and SS energy: 0.000 (S_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: 399 Temperature: 1.200000 Total energy: -2434.943051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.943051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.943051 (E_RNA) where: Base-Base interactions energy: -1733.849 where: short stacking energy: -688.988 Base-Backbone interact. energy: 1.302 local terms energy: -702.395573 where: bonds (distance) C4'-P energy: -115.788 bonds (distance) P-C4' energy: -124.024 flat angles C4'-P-C4' energy: -149.322 flat angles P-C4'-P energy: -101.295 tors. eta vs tors. theta energy: -211.966 Dist. restrs. and SS energy: 0.000 (S_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: 399 Temperature: 1.250000 Total energy: -2346.740025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.740025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.740025 (E_RNA) where: Base-Base interactions energy: -1663.060 where: short stacking energy: -663.515 Base-Backbone interact. energy: 0.503 local terms energy: -684.183049 where: bonds (distance) C4'-P energy: -100.999 bonds (distance) P-C4' energy: -138.332 flat angles C4'-P-C4' energy: -139.238 flat angles P-C4'-P energy: -110.386 tors. eta vs tors. theta energy: -195.227 Dist. restrs. and SS energy: 0.000 (S_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: 399 Temperature: 1.300000 Total energy: -2217.362142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.362142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.362142 (E_RNA) where: Base-Base interactions energy: -1588.097 where: short stacking energy: -636.249 Base-Backbone interact. energy: -1.687 local terms energy: -627.577863 where: bonds (distance) C4'-P energy: -95.606 bonds (distance) P-C4' energy: -135.230 flat angles C4'-P-C4' energy: -131.151 flat angles P-C4'-P energy: -93.622 tors. eta vs tors. theta energy: -171.968 Dist. restrs. and SS energy: 0.000 (S_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: 399 Temperature: 1.350000 Total energy: -2067.857722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.857722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.857722 (E_RNA) where: Base-Base interactions energy: -1429.544 where: short stacking energy: -593.170 Base-Backbone interact. energy: 0.800 local terms energy: -639.113827 where: bonds (distance) C4'-P energy: -101.624 bonds (distance) P-C4' energy: -144.489 flat angles C4'-P-C4' energy: -135.563 flat angles P-C4'-P energy: -90.891 tors. eta vs tors. theta energy: -166.546 Dist. restrs. and SS energy: 0.000 (S_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: 400 Temperature: 0.900000 Total energy: -2697.517323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.517323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.517323 (E_RNA) where: Base-Base interactions energy: -1900.418 where: short stacking energy: -758.527 Base-Backbone interact. energy: -5.006 local terms energy: -792.093322 where: bonds (distance) C4'-P energy: -130.646 bonds (distance) P-C4' energy: -157.174 flat angles C4'-P-C4' energy: -166.773 flat angles P-C4'-P energy: -108.179 tors. eta vs tors. theta energy: -229.322 Dist. restrs. and SS energy: 0.000 (S_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: 400 Temperature: 0.950000 Total energy: -2681.239721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.239721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.239721 (E_RNA) where: Base-Base interactions energy: -1912.926 where: short stacking energy: -759.068 Base-Backbone interact. energy: -2.951 local terms energy: -765.362812 where: bonds (distance) C4'-P energy: -124.612 bonds (distance) P-C4' energy: -143.935 flat angles C4'-P-C4' energy: -159.007 flat angles P-C4'-P energy: -110.072 tors. eta vs tors. theta energy: -227.738 Dist. restrs. and SS energy: 0.000 (S_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: 400 Temperature: 1.000000 Total energy: -2634.236932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.236932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.236932 (E_RNA) where: Base-Base interactions energy: -1870.314 where: short stacking energy: -735.630 Base-Backbone interact. energy: -1.026 local terms energy: -762.896542 where: bonds (distance) C4'-P energy: -121.615 bonds (distance) P-C4' energy: -152.482 flat angles C4'-P-C4' energy: -158.742 flat angles P-C4'-P energy: -110.154 tors. eta vs tors. theta energy: -219.903 Dist. restrs. and SS energy: 0.000 (S_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: 400 Temperature: 1.050000 Total energy: -2523.915493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.915493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.915493 (E_RNA) where: Base-Base interactions energy: -1781.541 where: short stacking energy: -711.153 Base-Backbone interact. energy: -0.743 local terms energy: -741.631162 where: bonds (distance) C4'-P energy: -114.684 bonds (distance) P-C4' energy: -142.463 flat angles C4'-P-C4' energy: -163.095 flat angles P-C4'-P energy: -104.553 tors. eta vs tors. theta energy: -216.837 Dist. restrs. and SS energy: 0.000 (S_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: 400 Temperature: 1.100000 Total energy: -2463.133508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.133508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.133508 (E_RNA) where: Base-Base interactions energy: -1739.839 where: short stacking energy: -708.592 Base-Backbone interact. energy: -1.918 local terms energy: -721.376230 where: bonds (distance) C4'-P energy: -117.223 bonds (distance) P-C4' energy: -141.239 flat angles C4'-P-C4' energy: -147.246 flat angles P-C4'-P energy: -102.291 tors. eta vs tors. theta energy: -213.377 Dist. restrs. and SS energy: 0.000 (S_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: 400 Temperature: 1.150000 Total energy: -2350.230665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.230665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.230665 (E_RNA) where: Base-Base interactions energy: -1646.765 where: short stacking energy: -667.227 Base-Backbone interact. energy: -1.179 local terms energy: -702.286499 where: bonds (distance) C4'-P energy: -115.036 bonds (distance) P-C4' energy: -138.452 flat angles C4'-P-C4' energy: -160.633 flat angles P-C4'-P energy: -94.454 tors. eta vs tors. theta energy: -193.711 Dist. restrs. and SS energy: 0.000 (S_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: 400 Temperature: 1.200000 Total energy: -2395.116986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.116986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.116986 (E_RNA) where: Base-Base interactions energy: -1688.810 where: short stacking energy: -681.697 Base-Backbone interact. energy: -3.440 local terms energy: -702.866297 where: bonds (distance) C4'-P energy: -112.688 bonds (distance) P-C4' energy: -135.449 flat angles C4'-P-C4' energy: -151.044 flat angles P-C4'-P energy: -102.623 tors. eta vs tors. theta energy: -201.062 Dist. restrs. and SS energy: 0.000 (S_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: 400 Temperature: 1.250000 Total energy: -2388.287274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.287274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.287274 (E_RNA) where: Base-Base interactions energy: -1684.340 where: short stacking energy: -671.045 Base-Backbone interact. energy: -1.766 local terms energy: -702.181636 where: bonds (distance) C4'-P energy: -102.179 bonds (distance) P-C4' energy: -136.765 flat angles C4'-P-C4' energy: -154.802 flat angles P-C4'-P energy: -96.556 tors. eta vs tors. theta energy: -211.880 Dist. restrs. and SS energy: 0.000 (S_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: 400 Temperature: 1.300000 Total energy: -2245.235078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.235078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.235078 (E_RNA) where: Base-Base interactions energy: -1573.067 where: short stacking energy: -642.485 Base-Backbone interact. energy: -2.082 local terms energy: -670.086928 where: bonds (distance) C4'-P energy: -100.128 bonds (distance) P-C4' energy: -132.488 flat angles C4'-P-C4' energy: -136.055 flat angles P-C4'-P energy: -108.263 tors. eta vs tors. theta energy: -193.154 Dist. restrs. and SS energy: 0.000 (S_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: 400 Temperature: 1.350000 Total energy: -2057.370702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.370702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.370702 (E_RNA) where: Base-Base interactions energy: -1420.477 where: short stacking energy: -597.874 Base-Backbone interact. energy: -0.484 local terms energy: -636.409351 where: bonds (distance) C4'-P energy: -109.114 bonds (distance) P-C4' energy: -135.035 flat angles C4'-P-C4' energy: -139.821 flat angles P-C4'-P energy: -87.496 tors. eta vs tors. theta energy: -164.943 Dist. restrs. and SS energy: 0.000 (S_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: 401 Temperature: 0.900000 Total energy: -2718.519717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.519717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.519717 (E_RNA) where: Base-Base interactions energy: -1932.331 where: short stacking energy: -766.012 Base-Backbone interact. energy: -2.507 local terms energy: -783.681233 where: bonds (distance) C4'-P energy: -135.853 bonds (distance) P-C4' energy: -149.170 flat angles C4'-P-C4' energy: -161.326 flat angles P-C4'-P energy: -110.074 tors. eta vs tors. theta energy: -227.257 Dist. restrs. and SS energy: 0.000 (S_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: 401 Temperature: 0.950000 Total energy: -2656.635964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.635964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.635964 (E_RNA) where: Base-Base interactions energy: -1901.347 where: short stacking energy: -764.831 Base-Backbone interact. energy: -1.271 local terms energy: -754.018254 where: bonds (distance) C4'-P energy: -122.615 bonds (distance) P-C4' energy: -154.008 flat angles C4'-P-C4' energy: -140.839 flat angles P-C4'-P energy: -111.661 tors. eta vs tors. theta energy: -224.895 Dist. restrs. and SS energy: 0.000 (S_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: 401 Temperature: 1.000000 Total energy: -2652.708805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.708805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.708805 (E_RNA) where: Base-Base interactions energy: -1898.817 where: short stacking energy: -756.483 Base-Backbone interact. energy: -1.186 local terms energy: -752.705712 where: bonds (distance) C4'-P energy: -120.859 bonds (distance) P-C4' energy: -136.211 flat angles C4'-P-C4' energy: -162.842 flat angles P-C4'-P energy: -106.715 tors. eta vs tors. theta energy: -226.078 Dist. restrs. and SS energy: 0.000 (S_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: 401 Temperature: 1.050000 Total energy: -2505.265941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.265941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.265941 (E_RNA) where: Base-Base interactions energy: -1769.001 where: short stacking energy: -707.788 Base-Backbone interact. energy: -1.703 local terms energy: -734.562112 where: bonds (distance) C4'-P energy: -112.051 bonds (distance) P-C4' energy: -153.921 flat angles C4'-P-C4' energy: -156.474 flat angles P-C4'-P energy: -99.915 tors. eta vs tors. theta energy: -212.200 Dist. restrs. and SS energy: 0.000 (S_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: 401 Temperature: 1.100000 Total energy: -2482.336768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.336768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.336768 (E_RNA) where: Base-Base interactions energy: -1745.923 where: short stacking energy: -712.378 Base-Backbone interact. energy: -1.085 local terms energy: -735.328319 where: bonds (distance) C4'-P energy: -117.941 bonds (distance) P-C4' energy: -150.495 flat angles C4'-P-C4' energy: -161.740 flat angles P-C4'-P energy: -92.445 tors. eta vs tors. theta energy: -212.708 Dist. restrs. and SS energy: 0.000 (S_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: 401 Temperature: 1.150000 Total energy: -2446.588557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.588557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.588557 (E_RNA) where: Base-Base interactions energy: -1739.776 where: short stacking energy: -708.006 Base-Backbone interact. energy: -0.106 local terms energy: -706.706095 where: bonds (distance) C4'-P energy: -109.082 bonds (distance) P-C4' energy: -141.928 flat angles C4'-P-C4' energy: -149.555 flat angles P-C4'-P energy: -110.746 tors. eta vs tors. theta energy: -195.396 Dist. restrs. and SS energy: 0.000 (S_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: 401 Temperature: 1.200000 Total energy: -2364.416430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.416430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.416430 (E_RNA) where: Base-Base interactions energy: -1674.788 where: short stacking energy: -686.841 Base-Backbone interact. energy: -1.215 local terms energy: -688.413712 where: bonds (distance) C4'-P energy: -106.061 bonds (distance) P-C4' energy: -147.989 flat angles C4'-P-C4' energy: -144.520 flat angles P-C4'-P energy: -101.497 tors. eta vs tors. theta energy: -188.347 Dist. restrs. and SS energy: 0.000 (S_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: 401 Temperature: 1.250000 Total energy: -2401.888501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.888501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.888501 (E_RNA) where: Base-Base interactions energy: -1709.817 where: short stacking energy: -684.303 Base-Backbone interact. energy: -0.315 local terms energy: -691.756499 where: bonds (distance) C4'-P energy: -116.739 bonds (distance) P-C4' energy: -134.963 flat angles C4'-P-C4' energy: -142.828 flat angles P-C4'-P energy: -92.489 tors. eta vs tors. theta energy: -204.737 Dist. restrs. and SS energy: 0.000 (S_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: 401 Temperature: 1.300000 Total energy: -2261.974975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.974975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.974975 (E_RNA) where: Base-Base interactions energy: -1593.840 where: short stacking energy: -637.388 Base-Backbone interact. energy: -0.613 local terms energy: -667.522340 where: bonds (distance) C4'-P energy: -95.617 bonds (distance) P-C4' energy: -139.025 flat angles C4'-P-C4' energy: -144.321 flat angles P-C4'-P energy: -98.279 tors. eta vs tors. theta energy: -190.281 Dist. restrs. and SS energy: 0.000 (S_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: 401 Temperature: 1.350000 Total energy: -2084.852237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.852237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.852237 (E_RNA) where: Base-Base interactions energy: -1436.430 where: short stacking energy: -604.741 Base-Backbone interact. energy: -0.722 local terms energy: -647.700195 where: bonds (distance) C4'-P energy: -111.617 bonds (distance) P-C4' energy: -129.014 flat angles C4'-P-C4' energy: -145.517 flat angles P-C4'-P energy: -85.675 tors. eta vs tors. theta energy: -175.877 Dist. restrs. and SS energy: 0.000 (S_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: 402 Temperature: 0.900000 Total energy: -2715.361797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.361797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.361797 (E_RNA) where: Base-Base interactions energy: -1918.234 where: short stacking energy: -763.834 Base-Backbone interact. energy: -2.452 local terms energy: -794.675654 where: bonds (distance) C4'-P energy: -114.312 bonds (distance) P-C4' energy: -163.285 flat angles C4'-P-C4' energy: -163.978 flat angles P-C4'-P energy: -123.929 tors. eta vs tors. theta energy: -229.171 Dist. restrs. and SS energy: 0.000 (S_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: 402 Temperature: 0.950000 Total energy: -2657.415351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.415351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.415351 (E_RNA) where: Base-Base interactions energy: -1893.679 where: short stacking energy: -749.431 Base-Backbone interact. energy: -3.585 local terms energy: -760.151520 where: bonds (distance) C4'-P energy: -114.139 bonds (distance) P-C4' energy: -150.218 flat angles C4'-P-C4' energy: -155.362 flat angles P-C4'-P energy: -113.436 tors. eta vs tors. theta energy: -226.997 Dist. restrs. and SS energy: 0.000 (S_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: 402 Temperature: 1.000000 Total energy: -2621.958710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.958710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.958710 (E_RNA) where: Base-Base interactions energy: -1880.343 where: short stacking energy: -734.517 Base-Backbone interact. energy: 0.195 local terms energy: -741.811239 where: bonds (distance) C4'-P energy: -118.558 bonds (distance) P-C4' energy: -145.027 flat angles C4'-P-C4' energy: -156.457 flat angles P-C4'-P energy: -95.323 tors. eta vs tors. theta energy: -226.447 Dist. restrs. and SS energy: 0.000 (S_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: 402 Temperature: 1.050000 Total energy: -2528.565681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.565681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.565681 (E_RNA) where: Base-Base interactions energy: -1784.742 where: short stacking energy: -728.857 Base-Backbone interact. energy: -2.707 local terms energy: -741.116919 where: bonds (distance) C4'-P energy: -115.260 bonds (distance) P-C4' energy: -132.372 flat angles C4'-P-C4' energy: -159.883 flat angles P-C4'-P energy: -111.889 tors. eta vs tors. theta energy: -221.713 Dist. restrs. and SS energy: 0.000 (S_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: 402 Temperature: 1.100000 Total energy: -2476.584561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.584561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.584561 (E_RNA) where: Base-Base interactions energy: -1739.786 where: short stacking energy: -722.046 Base-Backbone interact. energy: -2.342 local terms energy: -734.456985 where: bonds (distance) C4'-P energy: -112.876 bonds (distance) P-C4' energy: -137.433 flat angles C4'-P-C4' energy: -159.900 flat angles P-C4'-P energy: -107.885 tors. eta vs tors. theta energy: -216.362 Dist. restrs. and SS energy: 0.000 (S_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: 402 Temperature: 1.150000 Total energy: -2435.891841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.891841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.891841 (E_RNA) where: Base-Base interactions energy: -1714.076 where: short stacking energy: -692.117 Base-Backbone interact. energy: -1.148 local terms energy: -720.667703 where: bonds (distance) C4'-P energy: -101.283 bonds (distance) P-C4' energy: -151.844 flat angles C4'-P-C4' energy: -155.991 flat angles P-C4'-P energy: -107.558 tors. eta vs tors. theta energy: -203.992 Dist. restrs. and SS energy: 0.000 (S_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: 402 Temperature: 1.200000 Total energy: -2443.711786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.711786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.711786 (E_RNA) where: Base-Base interactions energy: -1725.488 where: short stacking energy: -687.133 Base-Backbone interact. energy: 0.699 local terms energy: -718.923017 where: bonds (distance) C4'-P energy: -105.448 bonds (distance) P-C4' energy: -142.308 flat angles C4'-P-C4' energy: -161.147 flat angles P-C4'-P energy: -106.074 tors. eta vs tors. theta energy: -203.946 Dist. restrs. and SS energy: 0.000 (S_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: 402 Temperature: 1.250000 Total energy: -2312.389436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.389436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.389436 (E_RNA) where: Base-Base interactions energy: -1616.170 where: short stacking energy: -667.828 Base-Backbone interact. energy: -1.804 local terms energy: -694.416116 where: bonds (distance) C4'-P energy: -103.960 bonds (distance) P-C4' energy: -144.151 flat angles C4'-P-C4' energy: -142.596 flat angles P-C4'-P energy: -104.632 tors. eta vs tors. theta energy: -199.077 Dist. restrs. and SS energy: 0.000 (S_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: 402 Temperature: 1.300000 Total energy: -2218.665724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.665724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.665724 (E_RNA) where: Base-Base interactions energy: -1554.244 where: short stacking energy: -633.448 Base-Backbone interact. energy: -2.112 local terms energy: -662.309788 where: bonds (distance) C4'-P energy: -104.008 bonds (distance) P-C4' energy: -137.849 flat angles C4'-P-C4' energy: -138.987 flat angles P-C4'-P energy: -104.802 tors. eta vs tors. theta energy: -176.665 Dist. restrs. and SS energy: 0.000 (S_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: 402 Temperature: 1.350000 Total energy: -2004.654512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.654512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.654512 (E_RNA) where: Base-Base interactions energy: -1393.356 where: short stacking energy: -573.166 Base-Backbone interact. energy: 5.233 local terms energy: -616.531043 where: bonds (distance) C4'-P energy: -109.882 bonds (distance) P-C4' energy: -138.463 flat angles C4'-P-C4' energy: -118.207 flat angles P-C4'-P energy: -94.585 tors. eta vs tors. theta energy: -155.394 Dist. restrs. and SS energy: 0.000 (S_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: 403 Temperature: 0.900000 Total energy: -2715.789115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.789115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.789115 (E_RNA) where: Base-Base interactions energy: -1934.650 where: short stacking energy: -766.310 Base-Backbone interact. energy: -1.727 local terms energy: -779.412099 where: bonds (distance) C4'-P energy: -122.533 bonds (distance) P-C4' energy: -154.099 flat angles C4'-P-C4' energy: -159.821 flat angles P-C4'-P energy: -113.640 tors. eta vs tors. theta energy: -229.319 Dist. restrs. and SS energy: 0.000 (S_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: 403 Temperature: 0.950000 Total energy: -2693.471519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.471519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.471519 (E_RNA) where: Base-Base interactions energy: -1925.174 where: short stacking energy: -768.858 Base-Backbone interact. energy: -2.301 local terms energy: -765.996368 where: bonds (distance) C4'-P energy: -122.493 bonds (distance) P-C4' energy: -146.651 flat angles C4'-P-C4' energy: -154.955 flat angles P-C4'-P energy: -116.599 tors. eta vs tors. theta energy: -225.298 Dist. restrs. and SS energy: 0.000 (S_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: 403 Temperature: 1.000000 Total energy: -2650.897697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.897697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.897697 (E_RNA) where: Base-Base interactions energy: -1894.860 where: short stacking energy: -746.471 Base-Backbone interact. energy: -0.975 local terms energy: -755.062512 where: bonds (distance) C4'-P energy: -115.759 bonds (distance) P-C4' energy: -153.858 flat angles C4'-P-C4' energy: -153.148 flat angles P-C4'-P energy: -109.933 tors. eta vs tors. theta energy: -222.365 Dist. restrs. and SS energy: 0.000 (S_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: 403 Temperature: 1.050000 Total energy: -2548.180004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.180004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.180004 (E_RNA) where: Base-Base interactions energy: -1823.833 where: short stacking energy: -736.558 Base-Backbone interact. energy: -0.935 local terms energy: -723.412137 where: bonds (distance) C4'-P energy: -122.097 bonds (distance) P-C4' energy: -142.070 flat angles C4'-P-C4' energy: -152.603 flat angles P-C4'-P energy: -95.498 tors. eta vs tors. theta energy: -211.144 Dist. restrs. and SS energy: 0.000 (S_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: 403 Temperature: 1.100000 Total energy: -2477.596094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.596094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.596094 (E_RNA) where: Base-Base interactions energy: -1743.138 where: short stacking energy: -693.660 Base-Backbone interact. energy: -1.595 local terms energy: -732.862699 where: bonds (distance) C4'-P energy: -127.041 bonds (distance) P-C4' energy: -141.569 flat angles C4'-P-C4' energy: -151.665 flat angles P-C4'-P energy: -101.929 tors. eta vs tors. theta energy: -210.659 Dist. restrs. and SS energy: 0.000 (S_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: 403 Temperature: 1.150000 Total energy: -2499.243784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.243784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.243784 (E_RNA) where: Base-Base interactions energy: -1782.247 where: short stacking energy: -710.858 Base-Backbone interact. energy: -1.479 local terms energy: -715.517874 where: bonds (distance) C4'-P energy: -114.683 bonds (distance) P-C4' energy: -150.824 flat angles C4'-P-C4' energy: -143.934 flat angles P-C4'-P energy: -93.576 tors. eta vs tors. theta energy: -212.502 Dist. restrs. and SS energy: 0.000 (S_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: 403 Temperature: 1.200000 Total energy: -2399.825856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.825856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.825856 (E_RNA) where: Base-Base interactions energy: -1696.950 where: short stacking energy: -684.675 Base-Backbone interact. energy: 1.159 local terms energy: -704.034889 where: bonds (distance) C4'-P energy: -107.893 bonds (distance) P-C4' energy: -142.856 flat angles C4'-P-C4' energy: -148.313 flat angles P-C4'-P energy: -103.231 tors. eta vs tors. theta energy: -201.742 Dist. restrs. and SS energy: 0.000 (S_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: 403 Temperature: 1.250000 Total energy: -2313.999938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.999938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.999938 (E_RNA) where: Base-Base interactions energy: -1615.186 where: short stacking energy: -663.450 Base-Backbone interact. energy: -1.235 local terms energy: -697.578588 where: bonds (distance) C4'-P energy: -118.219 bonds (distance) P-C4' energy: -141.677 flat angles C4'-P-C4' energy: -149.531 flat angles P-C4'-P energy: -102.210 tors. eta vs tors. theta energy: -185.942 Dist. restrs. and SS energy: 0.000 (S_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: 403 Temperature: 1.300000 Total energy: -2203.878395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.878395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.878395 (E_RNA) where: Base-Base interactions energy: -1570.750 where: short stacking energy: -642.112 Base-Backbone interact. energy: -2.453 local terms energy: -630.675698 where: bonds (distance) C4'-P energy: -99.380 bonds (distance) P-C4' energy: -122.471 flat angles C4'-P-C4' energy: -139.506 flat angles P-C4'-P energy: -95.709 tors. eta vs tors. theta energy: -173.610 Dist. restrs. and SS energy: 0.000 (S_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: 403 Temperature: 1.350000 Total energy: -2028.392287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.392287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.392287 (E_RNA) where: Base-Base interactions energy: -1412.674 where: short stacking energy: -571.301 Base-Backbone interact. energy: -1.232 local terms energy: -614.486668 where: bonds (distance) C4'-P energy: -101.556 bonds (distance) P-C4' energy: -123.527 flat angles C4'-P-C4' energy: -135.129 flat angles P-C4'-P energy: -88.039 tors. eta vs tors. theta energy: -166.236 Dist. restrs. and SS energy: 0.000 (S_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: 404 Temperature: 0.900000 Total energy: -2713.684751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.684751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.684751 (E_RNA) where: Base-Base interactions energy: -1939.299 where: short stacking energy: -766.715 Base-Backbone interact. energy: -0.282 local terms energy: -774.104322 where: bonds (distance) C4'-P energy: -126.849 bonds (distance) P-C4' energy: -154.321 flat angles C4'-P-C4' energy: -161.625 flat angles P-C4'-P energy: -100.874 tors. eta vs tors. theta energy: -230.435 Dist. restrs. and SS energy: 0.000 (S_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: 404 Temperature: 0.950000 Total energy: -2693.365497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.365497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.365497 (E_RNA) where: Base-Base interactions energy: -1921.069 where: short stacking energy: -750.393 Base-Backbone interact. energy: -3.737 local terms energy: -768.559884 where: bonds (distance) C4'-P energy: -119.371 bonds (distance) P-C4' energy: -155.357 flat angles C4'-P-C4' energy: -162.543 flat angles P-C4'-P energy: -105.436 tors. eta vs tors. theta energy: -225.853 Dist. restrs. and SS energy: 0.000 (S_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: 404 Temperature: 1.000000 Total energy: -2630.417068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.417068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.417068 (E_RNA) where: Base-Base interactions energy: -1878.151 where: short stacking energy: -741.840 Base-Backbone interact. energy: 2.010 local terms energy: -754.276456 where: bonds (distance) C4'-P energy: -118.015 bonds (distance) P-C4' energy: -147.108 flat angles C4'-P-C4' energy: -164.426 flat angles P-C4'-P energy: -100.824 tors. eta vs tors. theta energy: -223.903 Dist. restrs. and SS energy: 0.000 (S_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: 404 Temperature: 1.050000 Total energy: -2547.097948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.097948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.097948 (E_RNA) where: Base-Base interactions energy: -1800.283 where: short stacking energy: -730.319 Base-Backbone interact. energy: -0.094 local terms energy: -746.720712 where: bonds (distance) C4'-P energy: -109.771 bonds (distance) P-C4' energy: -153.334 flat angles C4'-P-C4' energy: -154.091 flat angles P-C4'-P energy: -108.040 tors. eta vs tors. theta energy: -221.485 Dist. restrs. and SS energy: 0.000 (S_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: 404 Temperature: 1.100000 Total energy: -2528.237810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.237810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.237810 (E_RNA) where: Base-Base interactions energy: -1777.681 where: short stacking energy: -702.811 Base-Backbone interact. energy: -3.067 local terms energy: -747.489788 where: bonds (distance) C4'-P energy: -126.442 bonds (distance) P-C4' energy: -149.789 flat angles C4'-P-C4' energy: -156.316 flat angles P-C4'-P energy: -105.972 tors. eta vs tors. theta energy: -208.971 Dist. restrs. and SS energy: 0.000 (S_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: 404 Temperature: 1.150000 Total energy: -2498.214202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.214202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.214202 (E_RNA) where: Base-Base interactions energy: -1755.403 where: short stacking energy: -698.078 Base-Backbone interact. energy: -1.170 local terms energy: -741.641435 where: bonds (distance) C4'-P energy: -119.466 bonds (distance) P-C4' energy: -138.256 flat angles C4'-P-C4' energy: -162.808 flat angles P-C4'-P energy: -103.031 tors. eta vs tors. theta energy: -218.080 Dist. restrs. and SS energy: 0.000 (S_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: 404 Temperature: 1.200000 Total energy: -2435.223319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.223319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.223319 (E_RNA) where: Base-Base interactions energy: -1724.643 where: short stacking energy: -704.332 Base-Backbone interact. energy: 5.915 local terms energy: -716.495224 where: bonds (distance) C4'-P energy: -112.653 bonds (distance) P-C4' energy: -131.936 flat angles C4'-P-C4' energy: -152.862 flat angles P-C4'-P energy: -109.166 tors. eta vs tors. theta energy: -209.877 Dist. restrs. and SS energy: 0.000 (S_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: 404 Temperature: 1.250000 Total energy: -2280.134315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.134315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.134315 (E_RNA) where: Base-Base interactions energy: -1603.768 where: short stacking energy: -660.445 Base-Backbone interact. energy: -1.749 local terms energy: -674.617380 where: bonds (distance) C4'-P energy: -117.684 bonds (distance) P-C4' energy: -125.643 flat angles C4'-P-C4' energy: -142.405 flat angles P-C4'-P energy: -101.912 tors. eta vs tors. theta energy: -186.975 Dist. restrs. and SS energy: 0.000 (S_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: 404 Temperature: 1.300000 Total energy: -2193.037832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.037832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.037832 (E_RNA) where: Base-Base interactions energy: -1514.778 where: short stacking energy: -625.989 Base-Backbone interact. energy: -2.035 local terms energy: -676.224680 where: bonds (distance) C4'-P energy: -99.817 bonds (distance) P-C4' energy: -149.321 flat angles C4'-P-C4' energy: -150.250 flat angles P-C4'-P energy: -93.907 tors. eta vs tors. theta energy: -182.930 Dist. restrs. and SS energy: 0.000 (S_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: 404 Temperature: 1.350000 Total energy: -2059.472324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.472324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.472324 (E_RNA) where: Base-Base interactions energy: -1439.514 where: short stacking energy: -585.896 Base-Backbone interact. energy: -0.006 local terms energy: -619.951811 where: bonds (distance) C4'-P energy: -99.489 bonds (distance) P-C4' energy: -133.895 flat angles C4'-P-C4' energy: -133.771 flat angles P-C4'-P energy: -92.906 tors. eta vs tors. theta energy: -159.890 Dist. restrs. and SS energy: 0.000 (S_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: 405 Temperature: 0.900000 Total energy: -2730.161834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.161834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.161834 (E_RNA) where: Base-Base interactions energy: -1937.213 where: short stacking energy: -774.230 Base-Backbone interact. energy: -1.741 local terms energy: -791.207752 where: bonds (distance) C4'-P energy: -123.714 bonds (distance) P-C4' energy: -154.745 flat angles C4'-P-C4' energy: -165.353 flat angles P-C4'-P energy: -116.859 tors. eta vs tors. theta energy: -230.537 Dist. restrs. and SS energy: 0.000 (S_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: 405 Temperature: 0.950000 Total energy: -2677.260702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.260702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.260702 (E_RNA) where: Base-Base interactions energy: -1899.853 where: short stacking energy: -736.115 Base-Backbone interact. energy: 0.975 local terms energy: -778.383087 where: bonds (distance) C4'-P energy: -127.293 bonds (distance) P-C4' energy: -160.750 flat angles C4'-P-C4' energy: -163.660 flat angles P-C4'-P energy: -106.460 tors. eta vs tors. theta energy: -220.220 Dist. restrs. and SS energy: 0.000 (S_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: 405 Temperature: 1.000000 Total energy: -2607.304207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.304207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.304207 (E_RNA) where: Base-Base interactions energy: -1850.994 where: short stacking energy: -734.968 Base-Backbone interact. energy: -1.493 local terms energy: -754.817353 where: bonds (distance) C4'-P energy: -116.783 bonds (distance) P-C4' energy: -147.619 flat angles C4'-P-C4' energy: -156.378 flat angles P-C4'-P energy: -110.237 tors. eta vs tors. theta energy: -223.800 Dist. restrs. and SS energy: 0.000 (S_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: 405 Temperature: 1.050000 Total energy: -2521.487178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.487178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.487178 (E_RNA) where: Base-Base interactions energy: -1790.064 where: short stacking energy: -707.930 Base-Backbone interact. energy: -1.341 local terms energy: -730.082053 where: bonds (distance) C4'-P energy: -114.506 bonds (distance) P-C4' energy: -151.015 flat angles C4'-P-C4' energy: -159.479 flat angles P-C4'-P energy: -99.632 tors. eta vs tors. theta energy: -205.451 Dist. restrs. and SS energy: 0.000 (S_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: 405 Temperature: 1.100000 Total energy: -2482.421520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.421520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.421520 (E_RNA) where: Base-Base interactions energy: -1751.938 where: short stacking energy: -709.978 Base-Backbone interact. energy: -2.352 local terms energy: -728.131075 where: bonds (distance) C4'-P energy: -100.917 bonds (distance) P-C4' energy: -149.913 flat angles C4'-P-C4' energy: -152.591 flat angles P-C4'-P energy: -112.358 tors. eta vs tors. theta energy: -212.351 Dist. restrs. and SS energy: 0.000 (S_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: 405 Temperature: 1.150000 Total energy: -2516.627658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.627658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.627658 (E_RNA) where: Base-Base interactions energy: -1780.889 where: short stacking energy: -725.650 Base-Backbone interact. energy: -2.083 local terms energy: -733.655394 where: bonds (distance) C4'-P energy: -102.277 bonds (distance) P-C4' energy: -149.681 flat angles C4'-P-C4' energy: -152.711 flat angles P-C4'-P energy: -105.842 tors. eta vs tors. theta energy: -223.145 Dist. restrs. and SS energy: 0.000 (S_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: 405 Temperature: 1.200000 Total energy: -2427.324325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.324325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.324325 (E_RNA) where: Base-Base interactions energy: -1742.787 where: short stacking energy: -703.363 Base-Backbone interact. energy: -1.785 local terms energy: -682.751383 where: bonds (distance) C4'-P energy: -107.246 bonds (distance) P-C4' energy: -123.985 flat angles C4'-P-C4' energy: -156.437 flat angles P-C4'-P energy: -91.994 tors. eta vs tors. theta energy: -203.089 Dist. restrs. and SS energy: 0.000 (S_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: 405 Temperature: 1.250000 Total energy: -2296.194220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.194220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.194220 (E_RNA) where: Base-Base interactions energy: -1616.898 where: short stacking energy: -660.989 Base-Backbone interact. energy: -2.116 local terms energy: -677.180901 where: bonds (distance) C4'-P energy: -110.897 bonds (distance) P-C4' energy: -138.859 flat angles C4'-P-C4' energy: -140.696 flat angles P-C4'-P energy: -93.940 tors. eta vs tors. theta energy: -192.790 Dist. restrs. and SS energy: 0.000 (S_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: 405 Temperature: 1.300000 Total energy: -2238.587958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.587958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.587958 (E_RNA) where: Base-Base interactions energy: -1552.283 where: short stacking energy: -632.151 Base-Backbone interact. energy: -2.168 local terms energy: -684.137391 where: bonds (distance) C4'-P energy: -102.812 bonds (distance) P-C4' energy: -141.864 flat angles C4'-P-C4' energy: -149.276 flat angles P-C4'-P energy: -98.478 tors. eta vs tors. theta energy: -191.708 Dist. restrs. and SS energy: 0.000 (S_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: 405 Temperature: 1.350000 Total energy: -2065.818556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.818556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.818556 (E_RNA) where: Base-Base interactions energy: -1422.885 where: short stacking energy: -580.959 Base-Backbone interact. energy: -3.936 local terms energy: -638.997426 where: bonds (distance) C4'-P energy: -110.352 bonds (distance) P-C4' energy: -149.317 flat angles C4'-P-C4' energy: -132.810 flat angles P-C4'-P energy: -83.511 tors. eta vs tors. theta energy: -163.008 Dist. restrs. and SS energy: 0.000 (S_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: 406 Temperature: 0.900000 Total energy: -2730.755035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.755035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.755035 (E_RNA) where: Base-Base interactions energy: -1950.396 where: short stacking energy: -779.955 Base-Backbone interact. energy: -4.581 local terms energy: -775.778111 where: bonds (distance) C4'-P energy: -131.550 bonds (distance) P-C4' energy: -145.666 flat angles C4'-P-C4' energy: -154.614 flat angles P-C4'-P energy: -116.535 tors. eta vs tors. theta energy: -227.413 Dist. restrs. and SS energy: 0.000 (S_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: 406 Temperature: 0.950000 Total energy: -2679.094148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.094148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.094148 (E_RNA) where: Base-Base interactions energy: -1919.855 where: short stacking energy: -750.455 Base-Backbone interact. energy: 3.502 local terms energy: -762.741132 where: bonds (distance) C4'-P energy: -115.595 bonds (distance) P-C4' energy: -150.768 flat angles C4'-P-C4' energy: -159.800 flat angles P-C4'-P energy: -114.943 tors. eta vs tors. theta energy: -221.635 Dist. restrs. and SS energy: 0.000 (S_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: 406 Temperature: 1.000000 Total energy: -2632.212839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.212839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.212839 (E_RNA) where: Base-Base interactions energy: -1879.643 where: short stacking energy: -751.769 Base-Backbone interact. energy: -0.955 local terms energy: -751.615419 where: bonds (distance) C4'-P energy: -115.569 bonds (distance) P-C4' energy: -137.314 flat angles C4'-P-C4' energy: -164.767 flat angles P-C4'-P energy: -110.462 tors. eta vs tors. theta energy: -223.503 Dist. restrs. and SS energy: 0.000 (S_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: 406 Temperature: 1.050000 Total energy: -2517.085605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.085605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.085605 (E_RNA) where: Base-Base interactions energy: -1772.733 where: short stacking energy: -709.195 Base-Backbone interact. energy: -1.291 local terms energy: -743.062059 where: bonds (distance) C4'-P energy: -128.154 bonds (distance) P-C4' energy: -150.530 flat angles C4'-P-C4' energy: -146.063 flat angles P-C4'-P energy: -111.516 tors. eta vs tors. theta energy: -206.798 Dist. restrs. and SS energy: 0.000 (S_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: 406 Temperature: 1.100000 Total energy: -2537.504616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.504616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.504616 (E_RNA) where: Base-Base interactions energy: -1784.350 where: short stacking energy: -732.880 Base-Backbone interact. energy: -0.264 local terms energy: -752.890879 where: bonds (distance) C4'-P energy: -120.254 bonds (distance) P-C4' energy: -143.212 flat angles C4'-P-C4' energy: -151.298 flat angles P-C4'-P energy: -115.866 tors. eta vs tors. theta energy: -222.261 Dist. restrs. and SS energy: 0.000 (S_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: 406 Temperature: 1.150000 Total energy: -2429.710029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.710029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.710029 (E_RNA) where: Base-Base interactions energy: -1688.505 where: short stacking energy: -693.667 Base-Backbone interact. energy: -1.328 local terms energy: -739.877034 where: bonds (distance) C4'-P energy: -116.190 bonds (distance) P-C4' energy: -151.648 flat angles C4'-P-C4' energy: -159.709 flat angles P-C4'-P energy: -113.245 tors. eta vs tors. theta energy: -199.085 Dist. restrs. and SS energy: 0.000 (S_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: 406 Temperature: 1.200000 Total energy: -2435.252572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.252572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.252572 (E_RNA) where: Base-Base interactions energy: -1730.355 where: short stacking energy: -685.506 Base-Backbone interact. energy: -3.878 local terms energy: -701.019405 where: bonds (distance) C4'-P energy: -108.825 bonds (distance) P-C4' energy: -144.076 flat angles C4'-P-C4' energy: -150.129 flat angles P-C4'-P energy: -86.580 tors. eta vs tors. theta energy: -211.410 Dist. restrs. and SS energy: 0.000 (S_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: 406 Temperature: 1.250000 Total energy: -2259.394745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.394745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.394745 (E_RNA) where: Base-Base interactions energy: -1604.328 where: short stacking energy: -627.288 Base-Backbone interact. energy: -3.294 local terms energy: -651.773010 where: bonds (distance) C4'-P energy: -96.791 bonds (distance) P-C4' energy: -138.419 flat angles C4'-P-C4' energy: -146.463 flat angles P-C4'-P energy: -95.147 tors. eta vs tors. theta energy: -174.953 Dist. restrs. and SS energy: 0.000 (S_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: 406 Temperature: 1.300000 Total energy: -2165.300146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.300146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.300146 (E_RNA) where: Base-Base interactions energy: -1531.077 where: short stacking energy: -625.609 Base-Backbone interact. energy: 0.197 local terms energy: -634.420022 where: bonds (distance) C4'-P energy: -92.768 bonds (distance) P-C4' energy: -139.121 flat angles C4'-P-C4' energy: -137.362 flat angles P-C4'-P energy: -96.800 tors. eta vs tors. theta energy: -168.369 Dist. restrs. and SS energy: 0.000 (S_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: 406 Temperature: 1.350000 Total energy: -2065.513627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.513627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.513627 (E_RNA) where: Base-Base interactions energy: -1435.672 where: short stacking energy: -592.957 Base-Backbone interact. energy: 2.427 local terms energy: -632.268475 where: bonds (distance) C4'-P energy: -102.837 bonds (distance) P-C4' energy: -135.918 flat angles C4'-P-C4' energy: -147.819 flat angles P-C4'-P energy: -82.227 tors. eta vs tors. theta energy: -163.467 Dist. restrs. and SS energy: 0.000 (S_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: 407 Temperature: 0.900000 Total energy: -2730.614745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.614745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.614745 (E_RNA) where: Base-Base interactions energy: -1960.237 where: short stacking energy: -773.336 Base-Backbone interact. energy: -3.392 local terms energy: -766.985704 where: bonds (distance) C4'-P energy: -120.881 bonds (distance) P-C4' energy: -149.883 flat angles C4'-P-C4' energy: -162.422 flat angles P-C4'-P energy: -109.765 tors. eta vs tors. theta energy: -224.035 Dist. restrs. and SS energy: 0.000 (S_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: 407 Temperature: 0.950000 Total energy: -2632.884046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.884046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.884046 (E_RNA) where: Base-Base interactions energy: -1871.076 where: short stacking energy: -755.840 Base-Backbone interact. energy: -2.360 local terms energy: -759.447699 where: bonds (distance) C4'-P energy: -120.158 bonds (distance) P-C4' energy: -144.049 flat angles C4'-P-C4' energy: -163.392 flat angles P-C4'-P energy: -108.606 tors. eta vs tors. theta energy: -223.242 Dist. restrs. and SS energy: 0.000 (S_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: 407 Temperature: 1.000000 Total energy: -2632.551307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.551307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.551307 (E_RNA) where: Base-Base interactions energy: -1875.284 where: short stacking energy: -748.444 Base-Backbone interact. energy: -5.372 local terms energy: -751.895748 where: bonds (distance) C4'-P energy: -116.154 bonds (distance) P-C4' energy: -146.764 flat angles C4'-P-C4' energy: -154.772 flat angles P-C4'-P energy: -107.400 tors. eta vs tors. theta energy: -226.805 Dist. restrs. and SS energy: 0.000 (S_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: 407 Temperature: 1.050000 Total energy: -2579.988668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.988668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.988668 (E_RNA) where: Base-Base interactions energy: -1823.764 where: short stacking energy: -739.862 Base-Backbone interact. energy: -1.507 local terms energy: -754.716913 where: bonds (distance) C4'-P energy: -125.173 bonds (distance) P-C4' energy: -143.856 flat angles C4'-P-C4' energy: -162.769 flat angles P-C4'-P energy: -105.888 tors. eta vs tors. theta energy: -217.030 Dist. restrs. and SS energy: 0.000 (S_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: 407 Temperature: 1.100000 Total energy: -2481.643334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.643334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.643334 (E_RNA) where: Base-Base interactions energy: -1780.728 where: short stacking energy: -707.817 Base-Backbone interact. energy: -2.522 local terms energy: -698.393366 where: bonds (distance) C4'-P energy: -98.288 bonds (distance) P-C4' energy: -146.496 flat angles C4'-P-C4' energy: -150.164 flat angles P-C4'-P energy: -100.434 tors. eta vs tors. theta energy: -203.012 Dist. restrs. and SS energy: 0.000 (S_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: 407 Temperature: 1.150000 Total energy: -2469.107409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.107409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.107409 (E_RNA) where: Base-Base interactions energy: -1749.368 where: short stacking energy: -716.935 Base-Backbone interact. energy: -0.701 local terms energy: -719.038562 where: bonds (distance) C4'-P energy: -112.446 bonds (distance) P-C4' energy: -139.077 flat angles C4'-P-C4' energy: -150.598 flat angles P-C4'-P energy: -102.960 tors. eta vs tors. theta energy: -213.958 Dist. restrs. and SS energy: 0.000 (S_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: 407 Temperature: 1.200000 Total energy: -2379.339514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.339514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.339514 (E_RNA) where: Base-Base interactions energy: -1678.771 where: short stacking energy: -668.263 Base-Backbone interact. energy: -2.082 local terms energy: -698.486234 where: bonds (distance) C4'-P energy: -118.985 bonds (distance) P-C4' energy: -138.663 flat angles C4'-P-C4' energy: -149.786 flat angles P-C4'-P energy: -101.772 tors. eta vs tors. theta energy: -189.280 Dist. restrs. and SS energy: 0.000 (S_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: 407 Temperature: 1.250000 Total energy: -2292.044275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.044275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.044275 (E_RNA) where: Base-Base interactions energy: -1613.777 where: short stacking energy: -666.131 Base-Backbone interact. energy: -0.600 local terms energy: -677.668025 where: bonds (distance) C4'-P energy: -103.522 bonds (distance) P-C4' energy: -143.295 flat angles C4'-P-C4' energy: -142.452 flat angles P-C4'-P energy: -100.011 tors. eta vs tors. theta energy: -188.388 Dist. restrs. and SS energy: 0.000 (S_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: 407 Temperature: 1.300000 Total energy: -2196.346886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.346886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.346886 (E_RNA) where: Base-Base interactions energy: -1532.486 where: short stacking energy: -629.835 Base-Backbone interact. energy: -1.867 local terms energy: -661.993912 where: bonds (distance) C4'-P energy: -110.296 bonds (distance) P-C4' energy: -132.495 flat angles C4'-P-C4' energy: -137.833 flat angles P-C4'-P energy: -94.545 tors. eta vs tors. theta energy: -186.825 Dist. restrs. and SS energy: 0.000 (S_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: 407 Temperature: 1.350000 Total energy: -2067.751929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.751929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.751929 (E_RNA) where: Base-Base interactions energy: -1433.433 where: short stacking energy: -584.633 Base-Backbone interact. energy: -1.321 local terms energy: -632.997310 where: bonds (distance) C4'-P energy: -99.414 bonds (distance) P-C4' energy: -122.675 flat angles C4'-P-C4' energy: -136.201 flat angles P-C4'-P energy: -104.897 tors. eta vs tors. theta energy: -169.810 Dist. restrs. and SS energy: 0.000 (S_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: 408 Temperature: 0.900000 Total energy: -2721.498262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.498262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.498262 (E_RNA) where: Base-Base interactions energy: -1927.334 where: short stacking energy: -778.550 Base-Backbone interact. energy: -1.529 local terms energy: -792.634526 where: bonds (distance) C4'-P energy: -123.904 bonds (distance) P-C4' energy: -158.143 flat angles C4'-P-C4' energy: -162.460 flat angles P-C4'-P energy: -117.907 tors. eta vs tors. theta energy: -230.221 Dist. restrs. and SS energy: 0.000 (S_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: 408 Temperature: 0.950000 Total energy: -2654.418395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.418395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.418395 (E_RNA) where: Base-Base interactions energy: -1863.253 where: short stacking energy: -759.229 Base-Backbone interact. energy: -4.980 local terms energy: -786.185847 where: bonds (distance) C4'-P energy: -126.701 bonds (distance) P-C4' energy: -152.495 flat angles C4'-P-C4' energy: -163.454 flat angles P-C4'-P energy: -116.353 tors. eta vs tors. theta energy: -227.183 Dist. restrs. and SS energy: 0.000 (S_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: 408 Temperature: 1.000000 Total energy: -2662.628737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.628737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.628737 (E_RNA) where: Base-Base interactions energy: -1891.194 where: short stacking energy: -759.793 Base-Backbone interact. energy: 1.064 local terms energy: -772.499064 where: bonds (distance) C4'-P energy: -119.545 bonds (distance) P-C4' energy: -151.957 flat angles C4'-P-C4' energy: -158.113 flat angles P-C4'-P energy: -113.465 tors. eta vs tors. theta energy: -229.420 Dist. restrs. and SS energy: 0.000 (S_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: 408 Temperature: 1.050000 Total energy: -2543.879771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.879771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.879771 (E_RNA) where: Base-Base interactions energy: -1820.341 where: short stacking energy: -717.646 Base-Backbone interact. energy: -1.825 local terms energy: -721.713843 where: bonds (distance) C4'-P energy: -116.682 bonds (distance) P-C4' energy: -144.802 flat angles C4'-P-C4' energy: -142.709 flat angles P-C4'-P energy: -108.471 tors. eta vs tors. theta energy: -209.050 Dist. restrs. and SS energy: 0.000 (S_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: 408 Temperature: 1.100000 Total energy: -2486.154620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.154620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.154620 (E_RNA) where: Base-Base interactions energy: -1769.107 where: short stacking energy: -727.907 Base-Backbone interact. energy: -0.908 local terms energy: -716.139687 where: bonds (distance) C4'-P energy: -108.026 bonds (distance) P-C4' energy: -142.597 flat angles C4'-P-C4' energy: -151.863 flat angles P-C4'-P energy: -97.282 tors. eta vs tors. theta energy: -216.370 Dist. restrs. and SS energy: 0.000 (S_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: 408 Temperature: 1.150000 Total energy: -2466.344679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.344679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.344679 (E_RNA) where: Base-Base interactions energy: -1772.895 where: short stacking energy: -702.431 Base-Backbone interact. energy: -1.936 local terms energy: -691.513210 where: bonds (distance) C4'-P energy: -101.327 bonds (distance) P-C4' energy: -141.752 flat angles C4'-P-C4' energy: -143.636 flat angles P-C4'-P energy: -106.669 tors. eta vs tors. theta energy: -198.129 Dist. restrs. and SS energy: 0.000 (S_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: 408 Temperature: 1.200000 Total energy: -2391.590204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.590204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.590204 (E_RNA) where: Base-Base interactions energy: -1685.161 where: short stacking energy: -666.507 Base-Backbone interact. energy: -0.596 local terms energy: -705.833894 where: bonds (distance) C4'-P energy: -104.173 bonds (distance) P-C4' energy: -148.134 flat angles C4'-P-C4' energy: -151.859 flat angles P-C4'-P energy: -102.386 tors. eta vs tors. theta energy: -199.282 Dist. restrs. and SS energy: 0.000 (S_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: 408 Temperature: 1.250000 Total energy: -2256.969356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.969356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.969356 (E_RNA) where: Base-Base interactions energy: -1569.098 where: short stacking energy: -633.625 Base-Backbone interact. energy: -1.638 local terms energy: -686.233124 where: bonds (distance) C4'-P energy: -101.199 bonds (distance) P-C4' energy: -150.197 flat angles C4'-P-C4' energy: -140.148 flat angles P-C4'-P energy: -108.452 tors. eta vs tors. theta energy: -186.237 Dist. restrs. and SS energy: 0.000 (S_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: 408 Temperature: 1.300000 Total energy: -2225.411748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.411748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.411748 (E_RNA) where: Base-Base interactions energy: -1572.692 where: short stacking energy: -643.309 Base-Backbone interact. energy: -0.966 local terms energy: -651.753054 where: bonds (distance) C4'-P energy: -122.498 bonds (distance) P-C4' energy: -117.795 flat angles C4'-P-C4' energy: -140.147 flat angles P-C4'-P energy: -92.309 tors. eta vs tors. theta energy: -179.004 Dist. restrs. and SS energy: 0.000 (S_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: 408 Temperature: 1.350000 Total energy: -2048.309353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.309353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.309353 (E_RNA) where: Base-Base interactions energy: -1435.420 where: short stacking energy: -607.757 Base-Backbone interact. energy: -2.495 local terms energy: -610.394349 where: bonds (distance) C4'-P energy: -77.213 bonds (distance) P-C4' energy: -131.382 flat angles C4'-P-C4' energy: -142.943 flat angles P-C4'-P energy: -86.432 tors. eta vs tors. theta energy: -172.424 Dist. restrs. and SS energy: 0.000 (S_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: 409 Temperature: 0.900000 Total energy: -2744.132720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.132720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.132720 (E_RNA) where: Base-Base interactions energy: -1969.058 where: short stacking energy: -773.628 Base-Backbone interact. energy: -2.409 local terms energy: -772.665813 where: bonds (distance) C4'-P energy: -112.433 bonds (distance) P-C4' energy: -145.012 flat angles C4'-P-C4' energy: -157.462 flat angles P-C4'-P energy: -126.023 tors. eta vs tors. theta energy: -231.735 Dist. restrs. and SS energy: 0.000 (S_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: 409 Temperature: 0.950000 Total energy: -2666.599522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.599522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.599522 (E_RNA) where: Base-Base interactions energy: -1880.415 where: short stacking energy: -767.207 Base-Backbone interact. energy: -4.894 local terms energy: -781.290254 where: bonds (distance) C4'-P energy: -118.833 bonds (distance) P-C4' energy: -151.665 flat angles C4'-P-C4' energy: -167.267 flat angles P-C4'-P energy: -110.127 tors. eta vs tors. theta energy: -233.397 Dist. restrs. and SS energy: 0.000 (S_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: 409 Temperature: 1.000000 Total energy: -2640.486646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.486646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.486646 (E_RNA) where: Base-Base interactions energy: -1872.425 where: short stacking energy: -751.407 Base-Backbone interact. energy: 0.938 local terms energy: -768.999339 where: bonds (distance) C4'-P energy: -105.956 bonds (distance) P-C4' energy: -153.016 flat angles C4'-P-C4' energy: -161.917 flat angles P-C4'-P energy: -118.915 tors. eta vs tors. theta energy: -229.196 Dist. restrs. and SS energy: 0.000 (S_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: 409 Temperature: 1.050000 Total energy: -2557.820292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.820292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.820292 (E_RNA) where: Base-Base interactions energy: -1812.664 where: short stacking energy: -728.036 Base-Backbone interact. energy: -1.571 local terms energy: -743.584960 where: bonds (distance) C4'-P energy: -118.103 bonds (distance) P-C4' energy: -153.167 flat angles C4'-P-C4' energy: -151.648 flat angles P-C4'-P energy: -102.497 tors. eta vs tors. theta energy: -218.170 Dist. restrs. and SS energy: 0.000 (S_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: 409 Temperature: 1.100000 Total energy: -2500.521139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.521139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.521139 (E_RNA) where: Base-Base interactions energy: -1779.597 where: short stacking energy: -713.843 Base-Backbone interact. energy: -1.026 local terms energy: -719.898963 where: bonds (distance) C4'-P energy: -107.199 bonds (distance) P-C4' energy: -152.597 flat angles C4'-P-C4' energy: -139.411 flat angles P-C4'-P energy: -106.039 tors. eta vs tors. theta energy: -214.653 Dist. restrs. and SS energy: 0.000 (S_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: 409 Temperature: 1.150000 Total energy: -2434.013088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.013088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.013088 (E_RNA) where: Base-Base interactions energy: -1730.475 where: short stacking energy: -711.571 Base-Backbone interact. energy: -1.042 local terms energy: -702.496120 where: bonds (distance) C4'-P energy: -103.368 bonds (distance) P-C4' energy: -131.386 flat angles C4'-P-C4' energy: -146.618 flat angles P-C4'-P energy: -107.984 tors. eta vs tors. theta energy: -213.139 Dist. restrs. and SS energy: 0.000 (S_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: 409 Temperature: 1.200000 Total energy: -2428.260256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.260256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.260256 (E_RNA) where: Base-Base interactions energy: -1731.661 where: short stacking energy: -684.468 Base-Backbone interact. energy: -3.794 local terms energy: -692.805392 where: bonds (distance) C4'-P energy: -108.237 bonds (distance) P-C4' energy: -133.275 flat angles C4'-P-C4' energy: -150.877 flat angles P-C4'-P energy: -94.499 tors. eta vs tors. theta energy: -205.918 Dist. restrs. and SS energy: 0.000 (S_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: 409 Temperature: 1.250000 Total energy: -2271.082266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.082266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.082266 (E_RNA) where: Base-Base interactions energy: -1613.160 where: short stacking energy: -671.492 Base-Backbone interact. energy: -0.560 local terms energy: -657.362222 where: bonds (distance) C4'-P energy: -104.622 bonds (distance) P-C4' energy: -120.869 flat angles C4'-P-C4' energy: -146.872 flat angles P-C4'-P energy: -88.488 tors. eta vs tors. theta energy: -196.511 Dist. restrs. and SS energy: 0.000 (S_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: 409 Temperature: 1.300000 Total energy: -2247.131006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.131006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.131006 (E_RNA) where: Base-Base interactions energy: -1554.913 where: short stacking energy: -633.443 Base-Backbone interact. energy: -1.394 local terms energy: -690.824171 where: bonds (distance) C4'-P energy: -113.629 bonds (distance) P-C4' energy: -146.323 flat angles C4'-P-C4' energy: -144.773 flat angles P-C4'-P energy: -100.434 tors. eta vs tors. theta energy: -185.665 Dist. restrs. and SS energy: 0.000 (S_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: 409 Temperature: 1.350000 Total energy: -2075.130094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.130094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.130094 (E_RNA) where: Base-Base interactions energy: -1422.760 where: short stacking energy: -616.845 Base-Backbone interact. energy: -0.778 local terms energy: -651.591903 where: bonds (distance) C4'-P energy: -95.149 bonds (distance) P-C4' energy: -129.133 flat angles C4'-P-C4' energy: -145.546 flat angles P-C4'-P energy: -102.242 tors. eta vs tors. theta energy: -179.522 Dist. restrs. and SS energy: 0.000 (S_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: 410 Temperature: 0.900000 Total energy: -2727.322074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.322074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.322074 (E_RNA) where: Base-Base interactions energy: -1942.665 where: short stacking energy: -785.987 Base-Backbone interact. energy: -0.934 local terms energy: -783.722326 where: bonds (distance) C4'-P energy: -124.165 bonds (distance) P-C4' energy: -149.807 flat angles C4'-P-C4' energy: -159.401 flat angles P-C4'-P energy: -120.312 tors. eta vs tors. theta energy: -230.038 Dist. restrs. and SS energy: 0.000 (S_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: 410 Temperature: 0.950000 Total energy: -2651.328777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.328777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.328777 (E_RNA) where: Base-Base interactions energy: -1884.373 where: short stacking energy: -759.868 Base-Backbone interact. energy: 2.111 local terms energy: -769.067039 where: bonds (distance) C4'-P energy: -115.575 bonds (distance) P-C4' energy: -155.316 flat angles C4'-P-C4' energy: -155.493 flat angles P-C4'-P energy: -111.509 tors. eta vs tors. theta energy: -231.174 Dist. restrs. and SS energy: 0.000 (S_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: 410 Temperature: 1.000000 Total energy: -2647.660329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.660329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.660329 (E_RNA) where: Base-Base interactions energy: -1897.116 where: short stacking energy: -758.789 Base-Backbone interact. energy: 1.424 local terms energy: -751.969077 where: bonds (distance) C4'-P energy: -122.899 bonds (distance) P-C4' energy: -148.470 flat angles C4'-P-C4' energy: -154.407 flat angles P-C4'-P energy: -102.932 tors. eta vs tors. theta energy: -223.261 Dist. restrs. and SS energy: 0.000 (S_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: 410 Temperature: 1.050000 Total energy: -2572.777453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.777453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.777453 (E_RNA) where: Base-Base interactions energy: -1834.009 where: short stacking energy: -743.269 Base-Backbone interact. energy: -1.328 local terms energy: -737.440639 where: bonds (distance) C4'-P energy: -117.459 bonds (distance) P-C4' energy: -138.261 flat angles C4'-P-C4' energy: -153.623 flat angles P-C4'-P energy: -98.509 tors. eta vs tors. theta energy: -229.589 Dist. restrs. and SS energy: 0.000 (S_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: 410 Temperature: 1.100000 Total energy: -2492.406337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.406337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.406337 (E_RNA) where: Base-Base interactions energy: -1772.488 where: short stacking energy: -717.643 Base-Backbone interact. energy: -0.248 local terms energy: -719.670598 where: bonds (distance) C4'-P energy: -115.428 bonds (distance) P-C4' energy: -142.512 flat angles C4'-P-C4' energy: -143.412 flat angles P-C4'-P energy: -104.058 tors. eta vs tors. theta energy: -214.261 Dist. restrs. and SS energy: 0.000 (S_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: 410 Temperature: 1.150000 Total energy: -2394.543293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.543293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.543293 (E_RNA) where: Base-Base interactions energy: -1684.130 where: short stacking energy: -688.107 Base-Backbone interact. energy: -0.004 local terms energy: -710.409788 where: bonds (distance) C4'-P energy: -121.555 bonds (distance) P-C4' energy: -145.956 flat angles C4'-P-C4' energy: -145.185 flat angles P-C4'-P energy: -97.704 tors. eta vs tors. theta energy: -200.010 Dist. restrs. and SS energy: 0.000 (S_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: 410 Temperature: 1.200000 Total energy: -2410.943368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.943368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.943368 (E_RNA) where: Base-Base interactions energy: -1719.701 where: short stacking energy: -682.772 Base-Backbone interact. energy: -2.386 local terms energy: -688.856682 where: bonds (distance) C4'-P energy: -101.132 bonds (distance) P-C4' energy: -138.281 flat angles C4'-P-C4' energy: -142.223 flat angles P-C4'-P energy: -106.402 tors. eta vs tors. theta energy: -200.819 Dist. restrs. and SS energy: 0.000 (S_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: 410 Temperature: 1.250000 Total energy: -2271.711547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.711547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.711547 (E_RNA) where: Base-Base interactions energy: -1594.839 where: short stacking energy: -667.935 Base-Backbone interact. energy: -2.741 local terms energy: -674.130994 where: bonds (distance) C4'-P energy: -112.746 bonds (distance) P-C4' energy: -127.955 flat angles C4'-P-C4' energy: -149.663 flat angles P-C4'-P energy: -93.637 tors. eta vs tors. theta energy: -190.129 Dist. restrs. and SS energy: 0.000 (S_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: 410 Temperature: 1.300000 Total energy: -2240.783530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.783530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.783530 (E_RNA) where: Base-Base interactions energy: -1588.498 where: short stacking energy: -649.583 Base-Backbone interact. energy: -1.815 local terms energy: -650.470577 where: bonds (distance) C4'-P energy: -91.141 bonds (distance) P-C4' energy: -127.624 flat angles C4'-P-C4' energy: -146.090 flat angles P-C4'-P energy: -96.393 tors. eta vs tors. theta energy: -189.223 Dist. restrs. and SS energy: 0.000 (S_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: 410 Temperature: 1.350000 Total energy: -2033.899894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.899894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.899894 (E_RNA) where: Base-Base interactions energy: -1416.861 where: short stacking energy: -587.929 Base-Backbone interact. energy: -1.451 local terms energy: -615.587380 where: bonds (distance) C4'-P energy: -109.357 bonds (distance) P-C4' energy: -128.737 flat angles C4'-P-C4' energy: -127.938 flat angles P-C4'-P energy: -80.293 tors. eta vs tors. theta energy: -169.262 Dist. restrs. and SS energy: 0.000 (S_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: 411 Temperature: 0.900000 Total energy: -2723.091761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.091761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.091761 (E_RNA) where: Base-Base interactions energy: -1945.403 where: short stacking energy: -775.697 Base-Backbone interact. energy: -3.777 local terms energy: -773.911645 where: bonds (distance) C4'-P energy: -117.850 bonds (distance) P-C4' energy: -151.856 flat angles C4'-P-C4' energy: -157.967 flat angles P-C4'-P energy: -113.213 tors. eta vs tors. theta energy: -233.026 Dist. restrs. and SS energy: 0.000 (S_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: 411 Temperature: 0.950000 Total energy: -2681.079303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.079303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.079303 (E_RNA) where: Base-Base interactions energy: -1905.541 where: short stacking energy: -776.510 Base-Backbone interact. energy: -2.094 local terms energy: -773.443883 where: bonds (distance) C4'-P energy: -112.678 bonds (distance) P-C4' energy: -155.804 flat angles C4'-P-C4' energy: -164.960 flat angles P-C4'-P energy: -110.104 tors. eta vs tors. theta energy: -229.898 Dist. restrs. and SS energy: 0.000 (S_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: 411 Temperature: 1.000000 Total energy: -2634.736966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.736966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.736966 (E_RNA) where: Base-Base interactions energy: -1896.003 where: short stacking energy: -754.080 Base-Backbone interact. energy: -2.619 local terms energy: -736.114391 where: bonds (distance) C4'-P energy: -109.730 bonds (distance) P-C4' energy: -129.973 flat angles C4'-P-C4' energy: -155.447 flat angles P-C4'-P energy: -113.287 tors. eta vs tors. theta energy: -227.678 Dist. restrs. and SS energy: 0.000 (S_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: 411 Temperature: 1.050000 Total energy: -2548.446735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.446735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.446735 (E_RNA) where: Base-Base interactions energy: -1793.375 where: short stacking energy: -736.628 Base-Backbone interact. energy: -2.859 local terms energy: -752.212328 where: bonds (distance) C4'-P energy: -125.148 bonds (distance) P-C4' energy: -148.290 flat angles C4'-P-C4' energy: -144.493 flat angles P-C4'-P energy: -109.924 tors. eta vs tors. theta energy: -224.357 Dist. restrs. and SS energy: 0.000 (S_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: 411 Temperature: 1.100000 Total energy: -2488.239837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.239837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.239837 (E_RNA) where: Base-Base interactions energy: -1756.772 where: short stacking energy: -700.810 Base-Backbone interact. energy: -2.124 local terms energy: -729.343881 where: bonds (distance) C4'-P energy: -115.351 bonds (distance) P-C4' energy: -147.065 flat angles C4'-P-C4' energy: -146.461 flat angles P-C4'-P energy: -104.060 tors. eta vs tors. theta energy: -216.407 Dist. restrs. and SS energy: 0.000 (S_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: 411 Temperature: 1.150000 Total energy: -2408.246064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.246064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.246064 (E_RNA) where: Base-Base interactions energy: -1707.681 where: short stacking energy: -678.949 Base-Backbone interact. energy: -3.353 local terms energy: -697.211514 where: bonds (distance) C4'-P energy: -106.971 bonds (distance) P-C4' energy: -134.868 flat angles C4'-P-C4' energy: -155.676 flat angles P-C4'-P energy: -101.669 tors. eta vs tors. theta energy: -198.027 Dist. restrs. and SS energy: 0.000 (S_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: 411 Temperature: 1.200000 Total energy: -2404.308427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.308427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.308427 (E_RNA) where: Base-Base interactions energy: -1709.695 where: short stacking energy: -696.011 Base-Backbone interact. energy: -0.841 local terms energy: -693.772502 where: bonds (distance) C4'-P energy: -108.623 bonds (distance) P-C4' energy: -143.057 flat angles C4'-P-C4' energy: -144.195 flat angles P-C4'-P energy: -92.305 tors. eta vs tors. theta energy: -205.592 Dist. restrs. and SS energy: 0.000 (S_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: 411 Temperature: 1.250000 Total energy: -2275.873159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.873159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.873159 (E_RNA) where: Base-Base interactions energy: -1597.514 where: short stacking energy: -636.687 Base-Backbone interact. energy: -3.218 local terms energy: -675.141358 where: bonds (distance) C4'-P energy: -113.635 bonds (distance) P-C4' energy: -136.431 flat angles C4'-P-C4' energy: -136.511 flat angles P-C4'-P energy: -96.884 tors. eta vs tors. theta energy: -191.680 Dist. restrs. and SS energy: 0.000 (S_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: 411 Temperature: 1.300000 Total energy: -2233.196824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.196824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.196824 (E_RNA) where: Base-Base interactions energy: -1564.213 where: short stacking energy: -641.333 Base-Backbone interact. energy: -1.104 local terms energy: -667.879796 where: bonds (distance) C4'-P energy: -101.510 bonds (distance) P-C4' energy: -132.554 flat angles C4'-P-C4' energy: -152.377 flat angles P-C4'-P energy: -90.832 tors. eta vs tors. theta energy: -190.607 Dist. restrs. and SS energy: 0.000 (S_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: 411 Temperature: 1.350000 Total energy: -2079.383968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.383968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.383968 (E_RNA) where: Base-Base interactions energy: -1431.782 where: short stacking energy: -590.654 Base-Backbone interact. energy: -1.129 local terms energy: -646.473251 where: bonds (distance) C4'-P energy: -101.877 bonds (distance) P-C4' energy: -137.998 flat angles C4'-P-C4' energy: -140.311 flat angles P-C4'-P energy: -98.300 tors. eta vs tors. theta energy: -167.988 Dist. restrs. and SS energy: 0.000 (S_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: 412 Temperature: 0.900000 Total energy: -2724.133614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.133614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.133614 (E_RNA) where: Base-Base interactions energy: -1947.418 where: short stacking energy: -760.925 Base-Backbone interact. energy: -1.096 local terms energy: -775.619603 where: bonds (distance) C4'-P energy: -113.142 bonds (distance) P-C4' energy: -154.760 flat angles C4'-P-C4' energy: -163.999 flat angles P-C4'-P energy: -111.179 tors. eta vs tors. theta energy: -232.540 Dist. restrs. and SS energy: 0.000 (S_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: 412 Temperature: 0.950000 Total energy: -2663.826478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.826478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.826478 (E_RNA) where: Base-Base interactions energy: -1875.026 where: short stacking energy: -735.451 Base-Backbone interact. energy: -3.204 local terms energy: -785.596003 where: bonds (distance) C4'-P energy: -130.530 bonds (distance) P-C4' energy: -151.099 flat angles C4'-P-C4' energy: -164.029 flat angles P-C4'-P energy: -105.592 tors. eta vs tors. theta energy: -234.345 Dist. restrs. and SS energy: 0.000 (S_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: 412 Temperature: 1.000000 Total energy: -2649.020015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.020015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.020015 (E_RNA) where: Base-Base interactions energy: -1883.451 where: short stacking energy: -752.146 Base-Backbone interact. energy: -3.384 local terms energy: -762.184467 where: bonds (distance) C4'-P energy: -124.639 bonds (distance) P-C4' energy: -148.399 flat angles C4'-P-C4' energy: -161.176 flat angles P-C4'-P energy: -102.937 tors. eta vs tors. theta energy: -225.034 Dist. restrs. and SS energy: 0.000 (S_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: 412 Temperature: 1.050000 Total energy: -2559.798926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.798926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.798926 (E_RNA) where: Base-Base interactions energy: -1820.028 where: short stacking energy: -741.857 Base-Backbone interact. energy: -0.834 local terms energy: -738.936724 where: bonds (distance) C4'-P energy: -111.697 bonds (distance) P-C4' energy: -152.630 flat angles C4'-P-C4' energy: -147.104 flat angles P-C4'-P energy: -100.004 tors. eta vs tors. theta energy: -227.502 Dist. restrs. and SS energy: 0.000 (S_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: 412 Temperature: 1.100000 Total energy: -2477.767284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.767284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.767284 (E_RNA) where: Base-Base interactions energy: -1753.259 where: short stacking energy: -709.706 Base-Backbone interact. energy: -0.831 local terms energy: -723.676485 where: bonds (distance) C4'-P energy: -121.763 bonds (distance) P-C4' energy: -137.317 flat angles C4'-P-C4' energy: -144.692 flat angles P-C4'-P energy: -109.214 tors. eta vs tors. theta energy: -210.690 Dist. restrs. and SS energy: 0.000 (S_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: 412 Temperature: 1.150000 Total energy: -2418.515604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.515604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.515604 (E_RNA) where: Base-Base interactions energy: -1715.903 where: short stacking energy: -683.852 Base-Backbone interact. energy: -2.175 local terms energy: -700.436976 where: bonds (distance) C4'-P energy: -114.412 bonds (distance) P-C4' energy: -134.430 flat angles C4'-P-C4' energy: -146.557 flat angles P-C4'-P energy: -104.383 tors. eta vs tors. theta energy: -200.655 Dist. restrs. and SS energy: 0.000 (S_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: 412 Temperature: 1.200000 Total energy: -2422.310685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.310685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.310685 (E_RNA) where: Base-Base interactions energy: -1725.571 where: short stacking energy: -691.803 Base-Backbone interact. energy: 0.246 local terms energy: -696.985145 where: bonds (distance) C4'-P energy: -106.428 bonds (distance) P-C4' energy: -135.312 flat angles C4'-P-C4' energy: -148.048 flat angles P-C4'-P energy: -105.254 tors. eta vs tors. theta energy: -201.942 Dist. restrs. and SS energy: 0.000 (S_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: 412 Temperature: 1.250000 Total energy: -2244.619839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.619839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.619839 (E_RNA) where: Base-Base interactions energy: -1567.771 where: short stacking energy: -631.991 Base-Backbone interact. energy: -2.631 local terms energy: -674.218540 where: bonds (distance) C4'-P energy: -108.056 bonds (distance) P-C4' energy: -144.310 flat angles C4'-P-C4' energy: -144.310 flat angles P-C4'-P energy: -98.715 tors. eta vs tors. theta energy: -178.827 Dist. restrs. and SS energy: 0.000 (S_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: 412 Temperature: 1.300000 Total energy: -2223.732469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.732469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.732469 (E_RNA) where: Base-Base interactions energy: -1587.177 where: short stacking energy: -647.631 Base-Backbone interact. energy: -3.597 local terms energy: -632.958766 where: bonds (distance) C4'-P energy: -91.953 bonds (distance) P-C4' energy: -132.573 flat angles C4'-P-C4' energy: -133.211 flat angles P-C4'-P energy: -95.093 tors. eta vs tors. theta energy: -180.129 Dist. restrs. and SS energy: 0.000 (S_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: 412 Temperature: 1.350000 Total energy: -2077.581950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.581950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.581950 (E_RNA) where: Base-Base interactions energy: -1406.561 where: short stacking energy: -578.027 Base-Backbone interact. energy: 1.533 local terms energy: -672.553417 where: bonds (distance) C4'-P energy: -120.641 bonds (distance) P-C4' energy: -150.062 flat angles C4'-P-C4' energy: -146.584 flat angles P-C4'-P energy: -86.736 tors. eta vs tors. theta energy: -168.530 Dist. restrs. and SS energy: 0.000 (S_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: 413 Temperature: 0.900000 Total energy: -2737.047905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.047905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.047905 (E_RNA) where: Base-Base interactions energy: -1943.858 where: short stacking energy: -779.383 Base-Backbone interact. energy: 0.284 local terms energy: -793.474147 where: bonds (distance) C4'-P energy: -116.792 bonds (distance) P-C4' energy: -156.894 flat angles C4'-P-C4' energy: -167.660 flat angles P-C4'-P energy: -115.949 tors. eta vs tors. theta energy: -236.179 Dist. restrs. and SS energy: 0.000 (S_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: 413 Temperature: 0.950000 Total energy: -2670.797222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.797222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.797222 (E_RNA) where: Base-Base interactions energy: -1903.256 where: short stacking energy: -759.625 Base-Backbone interact. energy: -3.453 local terms energy: -764.087569 where: bonds (distance) C4'-P energy: -113.434 bonds (distance) P-C4' energy: -156.342 flat angles C4'-P-C4' energy: -166.586 flat angles P-C4'-P energy: -105.597 tors. eta vs tors. theta energy: -222.128 Dist. restrs. and SS energy: 0.000 (S_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: 413 Temperature: 1.000000 Total energy: -2632.191490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.191490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.191490 (E_RNA) where: Base-Base interactions energy: -1873.596 where: short stacking energy: -747.762 Base-Backbone interact. energy: -1.680 local terms energy: -756.915958 where: bonds (distance) C4'-P energy: -120.774 bonds (distance) P-C4' energy: -160.383 flat angles C4'-P-C4' energy: -150.395 flat angles P-C4'-P energy: -97.598 tors. eta vs tors. theta energy: -227.766 Dist. restrs. and SS energy: 0.000 (S_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: 413 Temperature: 1.050000 Total energy: -2527.954824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.954824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.954824 (E_RNA) where: Base-Base interactions energy: -1777.506 where: short stacking energy: -731.212 Base-Backbone interact. energy: -0.792 local terms energy: -749.656723 where: bonds (distance) C4'-P energy: -112.060 bonds (distance) P-C4' energy: -145.109 flat angles C4'-P-C4' energy: -154.550 flat angles P-C4'-P energy: -124.038 tors. eta vs tors. theta energy: -213.900 Dist. restrs. and SS energy: 0.000 (S_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: 413 Temperature: 1.100000 Total energy: -2472.999139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.999139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.999139 (E_RNA) where: Base-Base interactions energy: -1740.433 where: short stacking energy: -708.413 Base-Backbone interact. energy: -1.309 local terms energy: -731.257573 where: bonds (distance) C4'-P energy: -121.677 bonds (distance) P-C4' energy: -143.975 flat angles C4'-P-C4' energy: -148.652 flat angles P-C4'-P energy: -107.789 tors. eta vs tors. theta energy: -209.164 Dist. restrs. and SS energy: 0.000 (S_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: 413 Temperature: 1.150000 Total energy: -2444.409579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.409579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.409579 (E_RNA) where: Base-Base interactions energy: -1740.504 where: short stacking energy: -699.090 Base-Backbone interact. energy: -1.428 local terms energy: -702.477962 where: bonds (distance) C4'-P energy: -111.638 bonds (distance) P-C4' energy: -150.910 flat angles C4'-P-C4' energy: -142.051 flat angles P-C4'-P energy: -95.909 tors. eta vs tors. theta energy: -201.970 Dist. restrs. and SS energy: 0.000 (S_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: 413 Temperature: 1.200000 Total energy: -2415.103513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.103513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.103513 (E_RNA) where: Base-Base interactions energy: -1695.590 where: short stacking energy: -691.765 Base-Backbone interact. energy: -1.522 local terms energy: -717.991604 where: bonds (distance) C4'-P energy: -118.045 bonds (distance) P-C4' energy: -130.346 flat angles C4'-P-C4' energy: -157.167 flat angles P-C4'-P energy: -105.902 tors. eta vs tors. theta energy: -206.531 Dist. restrs. and SS energy: 0.000 (S_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: 413 Temperature: 1.250000 Total energy: -2290.757680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.757680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.757680 (E_RNA) where: Base-Base interactions energy: -1585.799 where: short stacking energy: -642.188 Base-Backbone interact. energy: -0.784 local terms energy: -704.174001 where: bonds (distance) C4'-P energy: -111.825 bonds (distance) P-C4' energy: -152.651 flat angles C4'-P-C4' energy: -149.445 flat angles P-C4'-P energy: -97.932 tors. eta vs tors. theta energy: -192.320 Dist. restrs. and SS energy: 0.000 (S_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: 413 Temperature: 1.300000 Total energy: -2150.916013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.916013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.916013 (E_RNA) where: Base-Base interactions energy: -1496.308 where: short stacking energy: -612.074 Base-Backbone interact. energy: 0.098 local terms energy: -654.705480 where: bonds (distance) C4'-P energy: -115.600 bonds (distance) P-C4' energy: -135.837 flat angles C4'-P-C4' energy: -142.960 flat angles P-C4'-P energy: -94.271 tors. eta vs tors. theta energy: -166.037 Dist. restrs. and SS energy: 0.000 (S_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: 413 Temperature: 1.350000 Total energy: -2040.357837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.357837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.357837 (E_RNA) where: Base-Base interactions energy: -1420.168 where: short stacking energy: -574.513 Base-Backbone interact. energy: 0.316 local terms energy: -620.505620 where: bonds (distance) C4'-P energy: -108.632 bonds (distance) P-C4' energy: -134.102 flat angles C4'-P-C4' energy: -135.767 flat angles P-C4'-P energy: -91.594 tors. eta vs tors. theta energy: -150.411 Dist. restrs. and SS energy: 0.000 (S_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: 414 Temperature: 0.900000 Total energy: -2667.481132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.481132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.481132 (E_RNA) where: Base-Base interactions energy: -1881.509 where: short stacking energy: -760.636 Base-Backbone interact. energy: -2.173 local terms energy: -783.798926 where: bonds (distance) C4'-P energy: -122.720 bonds (distance) P-C4' energy: -160.156 flat angles C4'-P-C4' energy: -160.099 flat angles P-C4'-P energy: -108.306 tors. eta vs tors. theta energy: -232.518 Dist. restrs. and SS energy: 0.000 (S_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: 414 Temperature: 0.950000 Total energy: -2690.838093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.838093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.838093 (E_RNA) where: Base-Base interactions energy: -1929.661 where: short stacking energy: -772.446 Base-Backbone interact. energy: -2.250 local terms energy: -758.927617 where: bonds (distance) C4'-P energy: -112.689 bonds (distance) P-C4' energy: -150.406 flat angles C4'-P-C4' energy: -150.653 flat angles P-C4'-P energy: -115.012 tors. eta vs tors. theta energy: -230.168 Dist. restrs. and SS energy: 0.000 (S_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: 414 Temperature: 1.000000 Total energy: -2624.961219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.961219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.961219 (E_RNA) where: Base-Base interactions energy: -1894.326 where: short stacking energy: -754.537 Base-Backbone interact. energy: 3.313 local terms energy: -733.948087 where: bonds (distance) C4'-P energy: -108.840 bonds (distance) P-C4' energy: -138.380 flat angles C4'-P-C4' energy: -150.831 flat angles P-C4'-P energy: -109.686 tors. eta vs tors. theta energy: -226.212 Dist. restrs. and SS energy: 0.000 (S_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: 414 Temperature: 1.050000 Total energy: -2523.220670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.220670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.220670 (E_RNA) where: Base-Base interactions energy: -1774.619 where: short stacking energy: -723.165 Base-Backbone interact. energy: -0.061 local terms energy: -748.540220 where: bonds (distance) C4'-P energy: -104.874 bonds (distance) P-C4' energy: -148.946 flat angles C4'-P-C4' energy: -160.050 flat angles P-C4'-P energy: -114.265 tors. eta vs tors. theta energy: -220.405 Dist. restrs. and SS energy: 0.000 (S_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: 414 Temperature: 1.100000 Total energy: -2446.427074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.427074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.427074 (E_RNA) where: Base-Base interactions energy: -1729.476 where: short stacking energy: -696.740 Base-Backbone interact. energy: -0.993 local terms energy: -715.958921 where: bonds (distance) C4'-P energy: -109.124 bonds (distance) P-C4' energy: -139.387 flat angles C4'-P-C4' energy: -143.994 flat angles P-C4'-P energy: -113.880 tors. eta vs tors. theta energy: -209.573 Dist. restrs. and SS energy: 0.000 (S_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: 414 Temperature: 1.150000 Total energy: -2419.919650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.919650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.919650 (E_RNA) where: Base-Base interactions energy: -1713.161 where: short stacking energy: -695.779 Base-Backbone interact. energy: -1.783 local terms energy: -704.974826 where: bonds (distance) C4'-P energy: -104.431 bonds (distance) P-C4' energy: -147.472 flat angles C4'-P-C4' energy: -148.730 flat angles P-C4'-P energy: -92.683 tors. eta vs tors. theta energy: -211.659 Dist. restrs. and SS energy: 0.000 (S_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: 414 Temperature: 1.200000 Total energy: -2424.852524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.852524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.852524 (E_RNA) where: Base-Base interactions energy: -1733.492 where: short stacking energy: -692.408 Base-Backbone interact. energy: -1.160 local terms energy: -690.200545 where: bonds (distance) C4'-P energy: -103.865 bonds (distance) P-C4' energy: -134.860 flat angles C4'-P-C4' energy: -144.476 flat angles P-C4'-P energy: -107.694 tors. eta vs tors. theta energy: -199.306 Dist. restrs. and SS energy: 0.000 (S_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: 414 Temperature: 1.250000 Total energy: -2280.383675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.383675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.383675 (E_RNA) where: Base-Base interactions energy: -1604.314 where: short stacking energy: -642.650 Base-Backbone interact. energy: 4.020 local terms energy: -680.089825 where: bonds (distance) C4'-P energy: -119.130 bonds (distance) P-C4' energy: -139.470 flat angles C4'-P-C4' energy: -138.658 flat angles P-C4'-P energy: -98.888 tors. eta vs tors. theta energy: -183.943 Dist. restrs. and SS energy: 0.000 (S_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: 414 Temperature: 1.300000 Total energy: -2124.023293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.023293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.023293 (E_RNA) where: Base-Base interactions energy: -1472.185 where: short stacking energy: -617.626 Base-Backbone interact. energy: 0.413 local terms energy: -652.252162 where: bonds (distance) C4'-P energy: -101.694 bonds (distance) P-C4' energy: -139.829 flat angles C4'-P-C4' energy: -131.913 flat angles P-C4'-P energy: -101.593 tors. eta vs tors. theta energy: -177.222 Dist. restrs. and SS energy: 0.000 (S_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: 414 Temperature: 1.350000 Total energy: -2058.139586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.139586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.139586 (E_RNA) where: Base-Base interactions energy: -1433.370 where: short stacking energy: -609.794 Base-Backbone interact. energy: -1.499 local terms energy: -623.270817 where: bonds (distance) C4'-P energy: -99.657 bonds (distance) P-C4' energy: -129.033 flat angles C4'-P-C4' energy: -135.155 flat angles P-C4'-P energy: -86.734 tors. eta vs tors. theta energy: -172.691 Dist. restrs. and SS energy: 0.000 (S_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: 415 Temperature: 0.900000 Total energy: -2689.595177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.595177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.595177 (E_RNA) where: Base-Base interactions energy: -1916.057 where: short stacking energy: -758.484 Base-Backbone interact. energy: -1.260 local terms energy: -772.277888 where: bonds (distance) C4'-P energy: -126.572 bonds (distance) P-C4' energy: -151.481 flat angles C4'-P-C4' energy: -154.182 flat angles P-C4'-P energy: -115.269 tors. eta vs tors. theta energy: -224.774 Dist. restrs. and SS energy: 0.000 (S_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: 415 Temperature: 0.950000 Total energy: -2685.445602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.445602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.445602 (E_RNA) where: Base-Base interactions energy: -1915.019 where: short stacking energy: -756.523 Base-Backbone interact. energy: -1.388 local terms energy: -769.038787 where: bonds (distance) C4'-P energy: -113.996 bonds (distance) P-C4' energy: -150.182 flat angles C4'-P-C4' energy: -160.875 flat angles P-C4'-P energy: -113.945 tors. eta vs tors. theta energy: -230.041 Dist. restrs. and SS energy: 0.000 (S_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: 415 Temperature: 1.000000 Total energy: -2653.550646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.550646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.550646 (E_RNA) where: Base-Base interactions energy: -1872.389 where: short stacking energy: -756.252 Base-Backbone interact. energy: -3.235 local terms energy: -777.927359 where: bonds (distance) C4'-P energy: -127.540 bonds (distance) P-C4' energy: -165.612 flat angles C4'-P-C4' energy: -152.096 flat angles P-C4'-P energy: -104.765 tors. eta vs tors. theta energy: -227.915 Dist. restrs. and SS energy: 0.000 (S_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: 415 Temperature: 1.050000 Total energy: -2549.588108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.588108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.588108 (E_RNA) where: Base-Base interactions energy: -1820.907 where: short stacking energy: -748.567 Base-Backbone interact. energy: 1.492 local terms energy: -730.173217 where: bonds (distance) C4'-P energy: -103.369 bonds (distance) P-C4' energy: -136.457 flat angles C4'-P-C4' energy: -159.042 flat angles P-C4'-P energy: -107.460 tors. eta vs tors. theta energy: -223.846 Dist. restrs. and SS energy: 0.000 (S_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: 415 Temperature: 1.100000 Total energy: -2438.214625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.214625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.214625 (E_RNA) where: Base-Base interactions energy: -1731.681 where: short stacking energy: -703.156 Base-Backbone interact. energy: -1.626 local terms energy: -704.907526 where: bonds (distance) C4'-P energy: -108.148 bonds (distance) P-C4' energy: -142.186 flat angles C4'-P-C4' energy: -153.966 flat angles P-C4'-P energy: -100.088 tors. eta vs tors. theta energy: -200.520 Dist. restrs. and SS energy: 0.000 (S_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: 415 Temperature: 1.150000 Total energy: -2474.513423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.513423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.513423 (E_RNA) where: Base-Base interactions energy: -1748.330 where: short stacking energy: -712.991 Base-Backbone interact. energy: -0.874 local terms energy: -725.309510 where: bonds (distance) C4'-P energy: -113.018 bonds (distance) P-C4' energy: -139.611 flat angles C4'-P-C4' energy: -153.718 flat angles P-C4'-P energy: -105.924 tors. eta vs tors. theta energy: -213.038 Dist. restrs. and SS energy: 0.000 (S_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: 415 Temperature: 1.200000 Total energy: -2380.168664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.168664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.168664 (E_RNA) where: Base-Base interactions energy: -1671.500 where: short stacking energy: -667.579 Base-Backbone interact. energy: -1.399 local terms energy: -707.269578 where: bonds (distance) C4'-P energy: -109.913 bonds (distance) P-C4' energy: -143.247 flat angles C4'-P-C4' energy: -147.890 flat angles P-C4'-P energy: -100.978 tors. eta vs tors. theta energy: -205.242 Dist. restrs. and SS energy: 0.000 (S_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: 415 Temperature: 1.250000 Total energy: -2247.796575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.796575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.796575 (E_RNA) where: Base-Base interactions energy: -1573.826 where: short stacking energy: -640.720 Base-Backbone interact. energy: 1.161 local terms energy: -675.132070 where: bonds (distance) C4'-P energy: -95.768 bonds (distance) P-C4' energy: -147.723 flat angles C4'-P-C4' energy: -143.840 flat angles P-C4'-P energy: -100.080 tors. eta vs tors. theta energy: -187.722 Dist. restrs. and SS energy: 0.000 (S_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: 415 Temperature: 1.300000 Total energy: -2135.789181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.789181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.789181 (E_RNA) where: Base-Base interactions energy: -1490.715 where: short stacking energy: -603.949 Base-Backbone interact. energy: -2.118 local terms energy: -642.956019 where: bonds (distance) C4'-P energy: -104.326 bonds (distance) P-C4' energy: -150.375 flat angles C4'-P-C4' energy: -131.731 flat angles P-C4'-P energy: -96.613 tors. eta vs tors. theta energy: -159.911 Dist. restrs. and SS energy: 0.000 (S_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: 415 Temperature: 1.350000 Total energy: -2057.530695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.530695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.530695 (E_RNA) where: Base-Base interactions energy: -1424.515 where: short stacking energy: -587.596 Base-Backbone interact. energy: 0.290 local terms energy: -633.305774 where: bonds (distance) C4'-P energy: -113.189 bonds (distance) P-C4' energy: -123.385 flat angles C4'-P-C4' energy: -130.204 flat angles P-C4'-P energy: -95.275 tors. eta vs tors. theta energy: -171.253 Dist. restrs. and SS energy: 0.000 (S_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: 416 Temperature: 0.900000 Total energy: -2699.683508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.683508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.683508 (E_RNA) where: Base-Base interactions energy: -1920.181 where: short stacking energy: -775.977 Base-Backbone interact. energy: -1.678 local terms energy: -777.824799 where: bonds (distance) C4'-P energy: -124.340 bonds (distance) P-C4' energy: -148.562 flat angles C4'-P-C4' energy: -159.640 flat angles P-C4'-P energy: -118.154 tors. eta vs tors. theta energy: -227.128 Dist. restrs. and SS energy: 0.000 (S_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: 416 Temperature: 0.950000 Total energy: -2657.030252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.030252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.030252 (E_RNA) where: Base-Base interactions energy: -1883.480 where: short stacking energy: -756.342 Base-Backbone interact. energy: -1.526 local terms energy: -772.024258 where: bonds (distance) C4'-P energy: -116.079 bonds (distance) P-C4' energy: -155.721 flat angles C4'-P-C4' energy: -164.399 flat angles P-C4'-P energy: -110.868 tors. eta vs tors. theta energy: -224.956 Dist. restrs. and SS energy: 0.000 (S_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: 416 Temperature: 1.000000 Total energy: -2643.575458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.575458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.575458 (E_RNA) where: Base-Base interactions energy: -1876.342 where: short stacking energy: -747.457 Base-Backbone interact. energy: -2.140 local terms energy: -765.093485 where: bonds (distance) C4'-P energy: -128.399 bonds (distance) P-C4' energy: -139.351 flat angles C4'-P-C4' energy: -162.189 flat angles P-C4'-P energy: -105.179 tors. eta vs tors. theta energy: -229.975 Dist. restrs. and SS energy: 0.000 (S_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: 416 Temperature: 1.050000 Total energy: -2509.294743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.294743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.294743 (E_RNA) where: Base-Base interactions energy: -1783.672 where: short stacking energy: -730.812 Base-Backbone interact. energy: -2.983 local terms energy: -722.639379 where: bonds (distance) C4'-P energy: -114.924 bonds (distance) P-C4' energy: -137.904 flat angles C4'-P-C4' energy: -151.646 flat angles P-C4'-P energy: -104.871 tors. eta vs tors. theta energy: -213.294 Dist. restrs. and SS energy: 0.000 (S_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: 416 Temperature: 1.100000 Total energy: -2496.199667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.199667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.199667 (E_RNA) where: Base-Base interactions energy: -1773.068 where: short stacking energy: -711.550 Base-Backbone interact. energy: 0.147 local terms energy: -723.278746 where: bonds (distance) C4'-P energy: -112.225 bonds (distance) P-C4' energy: -150.498 flat angles C4'-P-C4' energy: -151.625 flat angles P-C4'-P energy: -97.823 tors. eta vs tors. theta energy: -211.108 Dist. restrs. and SS energy: 0.000 (S_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: 416 Temperature: 1.150000 Total energy: -2442.526827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.526827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.526827 (E_RNA) where: Base-Base interactions energy: -1716.827 where: short stacking energy: -673.130 Base-Backbone interact. energy: -2.297 local terms energy: -723.403324 where: bonds (distance) C4'-P energy: -116.848 bonds (distance) P-C4' energy: -149.024 flat angles C4'-P-C4' energy: -152.587 flat angles P-C4'-P energy: -102.182 tors. eta vs tors. theta energy: -202.762 Dist. restrs. and SS energy: 0.000 (S_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: 416 Temperature: 1.200000 Total energy: -2390.120573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.120573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.120573 (E_RNA) where: Base-Base interactions energy: -1681.592 where: short stacking energy: -675.280 Base-Backbone interact. energy: -0.366 local terms energy: -708.163176 where: bonds (distance) C4'-P energy: -117.964 bonds (distance) P-C4' energy: -143.400 flat angles C4'-P-C4' energy: -147.017 flat angles P-C4'-P energy: -90.676 tors. eta vs tors. theta energy: -209.106 Dist. restrs. and SS energy: 0.000 (S_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: 416 Temperature: 1.250000 Total energy: -2242.737381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.737381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.737381 (E_RNA) where: Base-Base interactions energy: -1578.490 where: short stacking energy: -663.695 Base-Backbone interact. energy: -1.053 local terms energy: -663.194656 where: bonds (distance) C4'-P energy: -88.985 bonds (distance) P-C4' energy: -135.263 flat angles C4'-P-C4' energy: -141.598 flat angles P-C4'-P energy: -102.570 tors. eta vs tors. theta energy: -194.779 Dist. restrs. and SS energy: 0.000 (S_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: 416 Temperature: 1.300000 Total energy: -2149.137637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.137637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.137637 (E_RNA) where: Base-Base interactions energy: -1526.600 where: short stacking energy: -617.645 Base-Backbone interact. energy: 1.173 local terms energy: -623.710639 where: bonds (distance) C4'-P energy: -93.697 bonds (distance) P-C4' energy: -132.472 flat angles C4'-P-C4' energy: -138.160 flat angles P-C4'-P energy: -87.274 tors. eta vs tors. theta energy: -172.108 Dist. restrs. and SS energy: 0.000 (S_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: 416 Temperature: 1.350000 Total energy: -2103.806296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.806296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.806296 (E_RNA) where: Base-Base interactions energy: -1440.307 where: short stacking energy: -581.653 Base-Backbone interact. energy: -0.025 local terms energy: -663.473962 where: bonds (distance) C4'-P energy: -96.788 bonds (distance) P-C4' energy: -149.736 flat angles C4'-P-C4' energy: -140.791 flat angles P-C4'-P energy: -108.863 tors. eta vs tors. theta energy: -167.295 Dist. restrs. and SS energy: 0.000 (S_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: 417 Temperature: 0.900000 Total energy: -2685.114452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.114452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.114452 (E_RNA) where: Base-Base interactions energy: -1903.223 where: short stacking energy: -752.335 Base-Backbone interact. energy: -0.815 local terms energy: -781.077326 where: bonds (distance) C4'-P energy: -122.316 bonds (distance) P-C4' energy: -163.366 flat angles C4'-P-C4' energy: -161.356 flat angles P-C4'-P energy: -109.958 tors. eta vs tors. theta energy: -224.081 Dist. restrs. and SS energy: 0.000 (S_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: 417 Temperature: 0.950000 Total energy: -2681.440908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.440908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.440908 (E_RNA) where: Base-Base interactions energy: -1925.701 where: short stacking energy: -765.177 Base-Backbone interact. energy: -3.290 local terms energy: -752.449875 where: bonds (distance) C4'-P energy: -107.382 bonds (distance) P-C4' energy: -150.754 flat angles C4'-P-C4' energy: -161.096 flat angles P-C4'-P energy: -108.369 tors. eta vs tors. theta energy: -224.849 Dist. restrs. and SS energy: 0.000 (S_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: 417 Temperature: 1.000000 Total energy: -2641.012499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.012499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.012499 (E_RNA) where: Base-Base interactions energy: -1884.053 where: short stacking energy: -743.999 Base-Backbone interact. energy: -0.773 local terms energy: -756.186481 where: bonds (distance) C4'-P energy: -110.076 bonds (distance) P-C4' energy: -144.020 flat angles C4'-P-C4' energy: -155.819 flat angles P-C4'-P energy: -115.413 tors. eta vs tors. theta energy: -230.858 Dist. restrs. and SS energy: 0.000 (S_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: 417 Temperature: 1.050000 Total energy: -2525.249441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.249441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.249441 (E_RNA) where: Base-Base interactions energy: -1778.574 where: short stacking energy: -732.421 Base-Backbone interact. energy: -2.696 local terms energy: -743.979076 where: bonds (distance) C4'-P energy: -113.413 bonds (distance) P-C4' energy: -152.009 flat angles C4'-P-C4' energy: -164.457 flat angles P-C4'-P energy: -99.415 tors. eta vs tors. theta energy: -214.685 Dist. restrs. and SS energy: 0.000 (S_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: 417 Temperature: 1.100000 Total energy: -2482.948128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.948128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.948128 (E_RNA) where: Base-Base interactions energy: -1760.571 where: short stacking energy: -716.777 Base-Backbone interact. energy: -1.390 local terms energy: -720.986677 where: bonds (distance) C4'-P energy: -104.049 bonds (distance) P-C4' energy: -143.892 flat angles C4'-P-C4' energy: -152.147 flat angles P-C4'-P energy: -107.209 tors. eta vs tors. theta energy: -213.690 Dist. restrs. and SS energy: 0.000 (S_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: 417 Temperature: 1.150000 Total energy: -2454.811520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.811520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.811520 (E_RNA) where: Base-Base interactions energy: -1738.433 where: short stacking energy: -706.315 Base-Backbone interact. energy: -2.772 local terms energy: -713.605981 where: bonds (distance) C4'-P energy: -100.627 bonds (distance) P-C4' energy: -151.628 flat angles C4'-P-C4' energy: -152.107 flat angles P-C4'-P energy: -103.596 tors. eta vs tors. theta energy: -205.648 Dist. restrs. and SS energy: 0.000 (S_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: 417 Temperature: 1.200000 Total energy: -2361.469377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.469377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.469377 (E_RNA) where: Base-Base interactions energy: -1664.515 where: short stacking energy: -669.025 Base-Backbone interact. energy: -2.076 local terms energy: -694.878273 where: bonds (distance) C4'-P energy: -104.799 bonds (distance) P-C4' energy: -146.629 flat angles C4'-P-C4' energy: -150.983 flat angles P-C4'-P energy: -95.018 tors. eta vs tors. theta energy: -197.450 Dist. restrs. and SS energy: 0.000 (S_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: 417 Temperature: 1.250000 Total energy: -2213.165056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.165056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.165056 (E_RNA) where: Base-Base interactions energy: -1545.418 where: short stacking energy: -633.316 Base-Backbone interact. energy: -2.211 local terms energy: -665.535985 where: bonds (distance) C4'-P energy: -92.573 bonds (distance) P-C4' energy: -139.784 flat angles C4'-P-C4' energy: -143.101 flat angles P-C4'-P energy: -99.865 tors. eta vs tors. theta energy: -190.214 Dist. restrs. and SS energy: 0.000 (S_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: 417 Temperature: 1.300000 Total energy: -2225.940210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.940210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.940210 (E_RNA) where: Base-Base interactions energy: -1563.884 where: short stacking energy: -652.342 Base-Backbone interact. energy: 0.887 local terms energy: -662.942968 where: bonds (distance) C4'-P energy: -102.146 bonds (distance) P-C4' energy: -135.330 flat angles C4'-P-C4' energy: -140.258 flat angles P-C4'-P energy: -97.192 tors. eta vs tors. theta energy: -188.017 Dist. restrs. and SS energy: 0.000 (S_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: 417 Temperature: 1.350000 Total energy: -2125.916637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.916637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.916637 (E_RNA) where: Base-Base interactions energy: -1474.088 where: short stacking energy: -607.758 Base-Backbone interact. energy: 0.968 local terms energy: -652.796012 where: bonds (distance) C4'-P energy: -111.843 bonds (distance) P-C4' energy: -125.438 flat angles C4'-P-C4' energy: -142.129 flat angles P-C4'-P energy: -93.230 tors. eta vs tors. theta energy: -180.157 Dist. restrs. and SS energy: 0.000 (S_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: 418 Temperature: 0.900000 Total energy: -2701.246982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.246982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.246982 (E_RNA) where: Base-Base interactions energy: -1913.899 where: short stacking energy: -752.173 Base-Backbone interact. energy: -1.563 local terms energy: -785.785169 where: bonds (distance) C4'-P energy: -125.702 bonds (distance) P-C4' energy: -158.327 flat angles C4'-P-C4' energy: -165.601 flat angles P-C4'-P energy: -119.577 tors. eta vs tors. theta energy: -216.578 Dist. restrs. and SS energy: 0.000 (S_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: 418 Temperature: 0.950000 Total energy: -2660.601119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.601119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.601119 (E_RNA) where: Base-Base interactions energy: -1894.674 where: short stacking energy: -752.194 Base-Backbone interact. energy: -3.836 local terms energy: -762.091105 where: bonds (distance) C4'-P energy: -113.311 bonds (distance) P-C4' energy: -156.448 flat angles C4'-P-C4' energy: -158.951 flat angles P-C4'-P energy: -104.772 tors. eta vs tors. theta energy: -228.609 Dist. restrs. and SS energy: 0.000 (S_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: 418 Temperature: 1.000000 Total energy: -2668.458078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.458078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.458078 (E_RNA) where: Base-Base interactions energy: -1905.758 where: short stacking energy: -775.730 Base-Backbone interact. energy: -2.212 local terms energy: -760.488453 where: bonds (distance) C4'-P energy: -110.610 bonds (distance) P-C4' energy: -147.330 flat angles C4'-P-C4' energy: -160.159 flat angles P-C4'-P energy: -111.145 tors. eta vs tors. theta energy: -231.244 Dist. restrs. and SS energy: 0.000 (S_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: 418 Temperature: 1.050000 Total energy: -2534.921591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.921591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.921591 (E_RNA) where: Base-Base interactions energy: -1782.855 where: short stacking energy: -716.861 Base-Backbone interact. energy: -1.510 local terms energy: -750.556538 where: bonds (distance) C4'-P energy: -131.013 bonds (distance) P-C4' energy: -143.435 flat angles C4'-P-C4' energy: -157.094 flat angles P-C4'-P energy: -103.577 tors. eta vs tors. theta energy: -215.438 Dist. restrs. and SS energy: 0.000 (S_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: 418 Temperature: 1.100000 Total energy: -2534.920460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.920460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.920460 (E_RNA) where: Base-Base interactions energy: -1803.647 where: short stacking energy: -743.817 Base-Backbone interact. energy: -2.769 local terms energy: -728.504409 where: bonds (distance) C4'-P energy: -106.807 bonds (distance) P-C4' energy: -134.901 flat angles C4'-P-C4' energy: -150.892 flat angles P-C4'-P energy: -110.902 tors. eta vs tors. theta energy: -225.002 Dist. restrs. and SS energy: 0.000 (S_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: 418 Temperature: 1.150000 Total energy: -2461.822670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.822670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.822670 (E_RNA) where: Base-Base interactions energy: -1737.855 where: short stacking energy: -696.117 Base-Backbone interact. energy: -1.100 local terms energy: -722.867800 where: bonds (distance) C4'-P energy: -107.263 bonds (distance) P-C4' energy: -147.222 flat angles C4'-P-C4' energy: -156.822 flat angles P-C4'-P energy: -104.049 tors. eta vs tors. theta energy: -207.511 Dist. restrs. and SS energy: 0.000 (S_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: 418 Temperature: 1.200000 Total energy: -2368.579608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.579608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.579608 (E_RNA) where: Base-Base interactions energy: -1662.287 where: short stacking energy: -694.666 Base-Backbone interact. energy: -1.231 local terms energy: -705.060769 where: bonds (distance) C4'-P energy: -112.291 bonds (distance) P-C4' energy: -144.082 flat angles C4'-P-C4' energy: -135.840 flat angles P-C4'-P energy: -104.855 tors. eta vs tors. theta energy: -207.993 Dist. restrs. and SS energy: 0.000 (S_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: 418 Temperature: 1.250000 Total energy: -2209.455200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.455200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.455200 (E_RNA) where: Base-Base interactions energy: -1548.027 where: short stacking energy: -636.861 Base-Backbone interact. energy: -2.124 local terms energy: -659.304536 where: bonds (distance) C4'-P energy: -101.738 bonds (distance) P-C4' energy: -151.837 flat angles C4'-P-C4' energy: -128.630 flat angles P-C4'-P energy: -99.762 tors. eta vs tors. theta energy: -177.337 Dist. restrs. and SS energy: 0.000 (S_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: 418 Temperature: 1.300000 Total energy: -2230.401519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.401519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.401519 (E_RNA) where: Base-Base interactions energy: -1567.117 where: short stacking energy: -624.910 Base-Backbone interact. energy: -2.004 local terms energy: -661.281039 where: bonds (distance) C4'-P energy: -110.368 bonds (distance) P-C4' energy: -133.571 flat angles C4'-P-C4' energy: -140.243 flat angles P-C4'-P energy: -94.498 tors. eta vs tors. theta energy: -182.601 Dist. restrs. and SS energy: 0.000 (S_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: 418 Temperature: 1.350000 Total energy: -2063.570249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.570249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.570249 (E_RNA) where: Base-Base interactions energy: -1426.834 where: short stacking energy: -582.107 Base-Backbone interact. energy: -1.484 local terms energy: -635.252416 where: bonds (distance) C4'-P energy: -95.074 bonds (distance) P-C4' energy: -149.666 flat angles C4'-P-C4' energy: -140.232 flat angles P-C4'-P energy: -80.134 tors. eta vs tors. theta energy: -170.146 Dist. restrs. and SS energy: 0.000 (S_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: 419 Temperature: 0.900000 Total energy: -2701.058895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.058895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.058895 (E_RNA) where: Base-Base interactions energy: -1914.360 where: short stacking energy: -765.714 Base-Backbone interact. energy: -2.457 local terms energy: -784.242584 where: bonds (distance) C4'-P energy: -128.290 bonds (distance) P-C4' energy: -161.816 flat angles C4'-P-C4' energy: -158.131 flat angles P-C4'-P energy: -109.694 tors. eta vs tors. theta energy: -226.312 Dist. restrs. and SS energy: 0.000 (S_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: 419 Temperature: 0.950000 Total energy: -2659.063469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.063469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.063469 (E_RNA) where: Base-Base interactions energy: -1878.914 where: short stacking energy: -767.833 Base-Backbone interact. energy: -4.192 local terms energy: -775.957612 where: bonds (distance) C4'-P energy: -120.661 bonds (distance) P-C4' energy: -157.185 flat angles C4'-P-C4' energy: -160.189 flat angles P-C4'-P energy: -112.687 tors. eta vs tors. theta energy: -225.236 Dist. restrs. and SS energy: 0.000 (S_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: 419 Temperature: 1.000000 Total energy: -2667.503891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.503891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.503891 (E_RNA) where: Base-Base interactions energy: -1908.320 where: short stacking energy: -766.666 Base-Backbone interact. energy: -2.149 local terms energy: -757.034968 where: bonds (distance) C4'-P energy: -108.770 bonds (distance) P-C4' energy: -155.204 flat angles C4'-P-C4' energy: -158.157 flat angles P-C4'-P energy: -104.633 tors. eta vs tors. theta energy: -230.272 Dist. restrs. and SS energy: 0.000 (S_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: 419 Temperature: 1.050000 Total energy: -2544.966642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.966642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.966642 (E_RNA) where: Base-Base interactions energy: -1802.612 where: short stacking energy: -728.757 Base-Backbone interact. energy: -1.355 local terms energy: -740.999821 where: bonds (distance) C4'-P energy: -115.001 bonds (distance) P-C4' energy: -140.278 flat angles C4'-P-C4' energy: -150.070 flat angles P-C4'-P energy: -112.735 tors. eta vs tors. theta energy: -222.916 Dist. restrs. and SS energy: 0.000 (S_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: 419 Temperature: 1.100000 Total energy: -2512.574042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.574042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.574042 (E_RNA) where: Base-Base interactions energy: -1787.350 where: short stacking energy: -700.164 Base-Backbone interact. energy: -1.519 local terms energy: -723.705296 where: bonds (distance) C4'-P energy: -107.942 bonds (distance) P-C4' energy: -151.839 flat angles C4'-P-C4' energy: -154.883 flat angles P-C4'-P energy: -102.884 tors. eta vs tors. theta energy: -206.157 Dist. restrs. and SS energy: 0.000 (S_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: 419 Temperature: 1.150000 Total energy: -2458.443247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.443247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.443247 (E_RNA) where: Base-Base interactions energy: -1726.100 where: short stacking energy: -680.414 Base-Backbone interact. energy: -0.595 local terms energy: -731.748261 where: bonds (distance) C4'-P energy: -123.475 bonds (distance) P-C4' energy: -143.664 flat angles C4'-P-C4' energy: -154.050 flat angles P-C4'-P energy: -103.440 tors. eta vs tors. theta energy: -207.120 Dist. restrs. and SS energy: 0.000 (S_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: 419 Temperature: 1.200000 Total energy: -2347.310033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.310033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.310033 (E_RNA) where: Base-Base interactions energy: -1660.722 where: short stacking energy: -671.966 Base-Backbone interact. energy: -2.504 local terms energy: -684.083166 where: bonds (distance) C4'-P energy: -94.807 bonds (distance) P-C4' energy: -144.631 flat angles C4'-P-C4' energy: -144.664 flat angles P-C4'-P energy: -100.268 tors. eta vs tors. theta energy: -199.713 Dist. restrs. and SS energy: 0.000 (S_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: 419 Temperature: 1.250000 Total energy: -2273.155559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.155559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.155559 (E_RNA) where: Base-Base interactions energy: -1600.348 where: short stacking energy: -647.222 Base-Backbone interact. energy: -1.295 local terms energy: -671.513039 where: bonds (distance) C4'-P energy: -102.631 bonds (distance) P-C4' energy: -139.041 flat angles C4'-P-C4' energy: -146.700 flat angles P-C4'-P energy: -91.002 tors. eta vs tors. theta energy: -192.139 Dist. restrs. and SS energy: 0.000 (S_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: 419 Temperature: 1.300000 Total energy: -2210.512866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.512866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.512866 (E_RNA) where: Base-Base interactions energy: -1543.804 where: short stacking energy: -630.977 Base-Backbone interact. energy: -0.316 local terms energy: -666.392372 where: bonds (distance) C4'-P energy: -107.652 bonds (distance) P-C4' energy: -142.309 flat angles C4'-P-C4' energy: -140.615 flat angles P-C4'-P energy: -93.910 tors. eta vs tors. theta energy: -181.906 Dist. restrs. and SS energy: 0.000 (S_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: 419 Temperature: 1.350000 Total energy: -2048.657751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.657751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.657751 (E_RNA) where: Base-Base interactions energy: -1419.491 where: short stacking energy: -590.772 Base-Backbone interact. energy: -2.898 local terms energy: -626.268597 where: bonds (distance) C4'-P energy: -111.562 bonds (distance) P-C4' energy: -133.641 flat angles C4'-P-C4' energy: -115.504 flat angles P-C4'-P energy: -89.108 tors. eta vs tors. theta energy: -176.453 Dist. restrs. and SS energy: 0.000 (S_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: 420 Temperature: 0.900000 Total energy: -2705.224052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.224052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.224052 (E_RNA) where: Base-Base interactions energy: -1905.919 where: short stacking energy: -759.461 Base-Backbone interact. energy: -4.034 local terms energy: -795.270959 where: bonds (distance) C4'-P energy: -130.624 bonds (distance) P-C4' energy: -159.861 flat angles C4'-P-C4' energy: -162.350 flat angles P-C4'-P energy: -120.601 tors. eta vs tors. theta energy: -221.835 Dist. restrs. and SS energy: 0.000 (S_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: 420 Temperature: 0.950000 Total energy: -2649.395516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.395516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.395516 (E_RNA) where: Base-Base interactions energy: -1869.325 where: short stacking energy: -747.431 Base-Backbone interact. energy: -2.515 local terms energy: -777.555911 where: bonds (distance) C4'-P energy: -123.105 bonds (distance) P-C4' energy: -155.926 flat angles C4'-P-C4' energy: -163.656 flat angles P-C4'-P energy: -101.864 tors. eta vs tors. theta energy: -233.005 Dist. restrs. and SS energy: 0.000 (S_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: 420 Temperature: 1.000000 Total energy: -2643.424190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.424190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.424190 (E_RNA) where: Base-Base interactions energy: -1885.725 where: short stacking energy: -755.519 Base-Backbone interact. energy: -2.800 local terms energy: -754.898586 where: bonds (distance) C4'-P energy: -119.410 bonds (distance) P-C4' energy: -148.622 flat angles C4'-P-C4' energy: -159.337 flat angles P-C4'-P energy: -103.935 tors. eta vs tors. theta energy: -223.594 Dist. restrs. and SS energy: 0.000 (S_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: 420 Temperature: 1.050000 Total energy: -2563.365906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.365906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.365906 (E_RNA) where: Base-Base interactions energy: -1795.986 where: short stacking energy: -721.332 Base-Backbone interact. energy: -0.785 local terms energy: -766.594891 where: bonds (distance) C4'-P energy: -133.218 bonds (distance) P-C4' energy: -148.579 flat angles C4'-P-C4' energy: -157.797 flat angles P-C4'-P energy: -109.874 tors. eta vs tors. theta energy: -217.127 Dist. restrs. and SS energy: 0.000 (S_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: 420 Temperature: 1.100000 Total energy: -2464.146361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.146361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.146361 (E_RNA) where: Base-Base interactions energy: -1746.082 where: short stacking energy: -700.246 Base-Backbone interact. energy: -1.546 local terms energy: -716.518674 where: bonds (distance) C4'-P energy: -104.741 bonds (distance) P-C4' energy: -147.197 flat angles C4'-P-C4' energy: -154.832 flat angles P-C4'-P energy: -104.763 tors. eta vs tors. theta energy: -204.985 Dist. restrs. and SS energy: 0.000 (S_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: 420 Temperature: 1.150000 Total energy: -2464.148008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.148008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.148008 (E_RNA) where: Base-Base interactions energy: -1739.217 where: short stacking energy: -696.776 Base-Backbone interact. energy: -1.493 local terms energy: -723.438482 where: bonds (distance) C4'-P energy: -105.827 bonds (distance) P-C4' energy: -139.881 flat angles C4'-P-C4' energy: -155.974 flat angles P-C4'-P energy: -109.004 tors. eta vs tors. theta energy: -212.753 Dist. restrs. and SS energy: 0.000 (S_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: 420 Temperature: 1.200000 Total energy: -2386.351982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.351982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.351982 (E_RNA) where: Base-Base interactions energy: -1692.768 where: short stacking energy: -687.029 Base-Backbone interact. energy: 0.485 local terms energy: -694.068449 where: bonds (distance) C4'-P energy: -115.874 bonds (distance) P-C4' energy: -143.259 flat angles C4'-P-C4' energy: -143.609 flat angles P-C4'-P energy: -91.640 tors. eta vs tors. theta energy: -199.687 Dist. restrs. and SS energy: 0.000 (S_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: 420 Temperature: 1.250000 Total energy: -2281.516764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.516764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.516764 (E_RNA) where: Base-Base interactions energy: -1584.249 where: short stacking energy: -657.979 Base-Backbone interact. energy: -1.845 local terms energy: -695.422912 where: bonds (distance) C4'-P energy: -116.728 bonds (distance) P-C4' energy: -133.832 flat angles C4'-P-C4' energy: -143.591 flat angles P-C4'-P energy: -100.321 tors. eta vs tors. theta energy: -200.950 Dist. restrs. and SS energy: 0.000 (S_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: 420 Temperature: 1.300000 Total energy: -2197.192538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.192538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.192538 (E_RNA) where: Base-Base interactions energy: -1539.430 where: short stacking energy: -619.662 Base-Backbone interact. energy: -0.108 local terms energy: -657.654235 where: bonds (distance) C4'-P energy: -112.491 bonds (distance) P-C4' energy: -120.896 flat angles C4'-P-C4' energy: -142.165 flat angles P-C4'-P energy: -93.025 tors. eta vs tors. theta energy: -189.076 Dist. restrs. and SS energy: 0.000 (S_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: 420 Temperature: 1.350000 Total energy: -2074.926077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.926077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.926077 (E_RNA) where: Base-Base interactions energy: -1422.055 where: short stacking energy: -586.175 Base-Backbone interact. energy: -1.622 local terms energy: -651.249078 where: bonds (distance) C4'-P energy: -114.972 bonds (distance) P-C4' energy: -135.602 flat angles C4'-P-C4' energy: -147.776 flat angles P-C4'-P energy: -91.026 tors. eta vs tors. theta energy: -161.873 Dist. restrs. and SS energy: 0.000 (S_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: 421 Temperature: 0.900000 Total energy: -2697.671856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.671856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.671856 (E_RNA) where: Base-Base interactions energy: -1916.592 where: short stacking energy: -759.500 Base-Backbone interact. energy: -2.401 local terms energy: -778.678492 where: bonds (distance) C4'-P energy: -121.473 bonds (distance) P-C4' energy: -159.982 flat angles C4'-P-C4' energy: -162.582 flat angles P-C4'-P energy: -109.583 tors. eta vs tors. theta energy: -225.059 Dist. restrs. and SS energy: 0.000 (S_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: 421 Temperature: 0.950000 Total energy: -2679.188049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.188049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.188049 (E_RNA) where: Base-Base interactions energy: -1907.169 where: short stacking energy: -759.212 Base-Backbone interact. energy: -2.445 local terms energy: -769.574917 where: bonds (distance) C4'-P energy: -110.742 bonds (distance) P-C4' energy: -151.117 flat angles C4'-P-C4' energy: -153.987 flat angles P-C4'-P energy: -123.645 tors. eta vs tors. theta energy: -230.083 Dist. restrs. and SS energy: 0.000 (S_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: 421 Temperature: 1.000000 Total energy: -2636.109311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.109311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.109311 (E_RNA) where: Base-Base interactions energy: -1852.243 where: short stacking energy: -756.870 Base-Backbone interact. energy: -2.819 local terms energy: -781.047323 where: bonds (distance) C4'-P energy: -120.780 bonds (distance) P-C4' energy: -158.066 flat angles C4'-P-C4' energy: -162.233 flat angles P-C4'-P energy: -108.224 tors. eta vs tors. theta energy: -231.745 Dist. restrs. and SS energy: 0.000 (S_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: 421 Temperature: 1.050000 Total energy: -2486.806313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.806313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.806313 (E_RNA) where: Base-Base interactions energy: -1752.280 where: short stacking energy: -709.472 Base-Backbone interact. energy: -0.097 local terms energy: -734.429987 where: bonds (distance) C4'-P energy: -114.292 bonds (distance) P-C4' energy: -145.638 flat angles C4'-P-C4' energy: -152.053 flat angles P-C4'-P energy: -107.271 tors. eta vs tors. theta energy: -215.176 Dist. restrs. and SS energy: 0.000 (S_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: 421 Temperature: 1.100000 Total energy: -2505.739583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.739583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.739583 (E_RNA) where: Base-Base interactions energy: -1780.806 where: short stacking energy: -722.957 Base-Backbone interact. energy: 0.902 local terms energy: -725.835804 where: bonds (distance) C4'-P energy: -113.732 bonds (distance) P-C4' energy: -140.495 flat angles C4'-P-C4' energy: -156.403 flat angles P-C4'-P energy: -100.800 tors. eta vs tors. theta energy: -214.406 Dist. restrs. and SS energy: 0.000 (S_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: 421 Temperature: 1.150000 Total energy: -2445.693105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.693105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.693105 (E_RNA) where: Base-Base interactions energy: -1713.321 where: short stacking energy: -698.480 Base-Backbone interact. energy: -1.413 local terms energy: -730.959167 where: bonds (distance) C4'-P energy: -111.243 bonds (distance) P-C4' energy: -151.665 flat angles C4'-P-C4' energy: -158.829 flat angles P-C4'-P energy: -92.051 tors. eta vs tors. theta energy: -217.172 Dist. restrs. and SS energy: 0.000 (S_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: 421 Temperature: 1.200000 Total energy: -2409.388218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.388218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.388218 (E_RNA) where: Base-Base interactions energy: -1703.124 where: short stacking energy: -685.119 Base-Backbone interact. energy: 0.632 local terms energy: -706.896809 where: bonds (distance) C4'-P energy: -99.402 bonds (distance) P-C4' energy: -154.220 flat angles C4'-P-C4' energy: -140.450 flat angles P-C4'-P energy: -103.025 tors. eta vs tors. theta energy: -209.800 Dist. restrs. and SS energy: 0.000 (S_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: 421 Temperature: 1.250000 Total energy: -2272.874025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.874025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.874025 (E_RNA) where: Base-Base interactions energy: -1578.338 where: short stacking energy: -659.517 Base-Backbone interact. energy: -1.657 local terms energy: -692.878943 where: bonds (distance) C4'-P energy: -109.631 bonds (distance) P-C4' energy: -136.842 flat angles C4'-P-C4' energy: -155.063 flat angles P-C4'-P energy: -100.253 tors. eta vs tors. theta energy: -191.089 Dist. restrs. and SS energy: 0.000 (S_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: 421 Temperature: 1.300000 Total energy: -2160.819117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.819117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.819117 (E_RNA) where: Base-Base interactions energy: -1505.445 where: short stacking energy: -613.466 Base-Backbone interact. energy: -2.066 local terms energy: -653.308330 where: bonds (distance) C4'-P energy: -121.927 bonds (distance) P-C4' energy: -136.253 flat angles C4'-P-C4' energy: -123.473 flat angles P-C4'-P energy: -100.599 tors. eta vs tors. theta energy: -171.057 Dist. restrs. and SS energy: 0.000 (S_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: 421 Temperature: 1.350000 Total energy: -2075.071405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.071405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.071405 (E_RNA) where: Base-Base interactions energy: -1413.193 where: short stacking energy: -589.665 Base-Backbone interact. energy: -1.592 local terms energy: -660.286213 where: bonds (distance) C4'-P energy: -101.933 bonds (distance) P-C4' energy: -147.506 flat angles C4'-P-C4' energy: -140.258 flat angles P-C4'-P energy: -93.465 tors. eta vs tors. theta energy: -177.124 Dist. restrs. and SS energy: 0.000 (S_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: 422 Temperature: 0.900000 Total energy: -2696.721738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.721738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.721738 (E_RNA) where: Base-Base interactions energy: -1919.303 where: short stacking energy: -753.506 Base-Backbone interact. energy: -1.366 local terms energy: -776.052922 where: bonds (distance) C4'-P energy: -121.884 bonds (distance) P-C4' energy: -151.681 flat angles C4'-P-C4' energy: -161.272 flat angles P-C4'-P energy: -118.248 tors. eta vs tors. theta energy: -222.968 Dist. restrs. and SS energy: 0.000 (S_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: 422 Temperature: 0.950000 Total energy: -2691.688878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.688878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.688878 (E_RNA) where: Base-Base interactions energy: -1906.398 where: short stacking energy: -752.191 Base-Backbone interact. energy: -3.131 local terms energy: -782.159830 where: bonds (distance) C4'-P energy: -122.855 bonds (distance) P-C4' energy: -154.797 flat angles C4'-P-C4' energy: -162.280 flat angles P-C4'-P energy: -114.330 tors. eta vs tors. theta energy: -227.897 Dist. restrs. and SS energy: 0.000 (S_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: 422 Temperature: 1.000000 Total energy: -2617.567277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.567277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.567277 (E_RNA) where: Base-Base interactions energy: -1842.982 where: short stacking energy: -748.337 Base-Backbone interact. energy: -2.021 local terms energy: -772.564131 where: bonds (distance) C4'-P energy: -114.844 bonds (distance) P-C4' energy: -146.632 flat angles C4'-P-C4' energy: -159.479 flat angles P-C4'-P energy: -114.930 tors. eta vs tors. theta energy: -236.678 Dist. restrs. and SS energy: 0.000 (S_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: 422 Temperature: 1.050000 Total energy: -2497.560664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.560664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.560664 (E_RNA) where: Base-Base interactions energy: -1766.548 where: short stacking energy: -718.761 Base-Backbone interact. energy: -0.787 local terms energy: -730.225992 where: bonds (distance) C4'-P energy: -119.042 bonds (distance) P-C4' energy: -150.004 flat angles C4'-P-C4' energy: -145.714 flat angles P-C4'-P energy: -106.653 tors. eta vs tors. theta energy: -208.813 Dist. restrs. and SS energy: 0.000 (S_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: 422 Temperature: 1.100000 Total energy: -2476.945970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.945970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.945970 (E_RNA) where: Base-Base interactions energy: -1748.044 where: short stacking energy: -706.390 Base-Backbone interact. energy: -2.170 local terms energy: -726.731956 where: bonds (distance) C4'-P energy: -113.714 bonds (distance) P-C4' energy: -136.852 flat angles C4'-P-C4' energy: -160.086 flat angles P-C4'-P energy: -100.821 tors. eta vs tors. theta energy: -215.260 Dist. restrs. and SS energy: 0.000 (S_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: 422 Temperature: 1.150000 Total energy: -2522.230130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.230130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.230130 (E_RNA) where: Base-Base interactions energy: -1775.783 where: short stacking energy: -716.384 Base-Backbone interact. energy: -2.350 local terms energy: -744.097263 where: bonds (distance) C4'-P energy: -119.472 bonds (distance) P-C4' energy: -145.869 flat angles C4'-P-C4' energy: -157.063 flat angles P-C4'-P energy: -103.009 tors. eta vs tors. theta energy: -218.683 Dist. restrs. and SS energy: 0.000 (S_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: 422 Temperature: 1.200000 Total energy: -2425.674304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.674304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.674304 (E_RNA) where: Base-Base interactions energy: -1714.770 where: short stacking energy: -682.276 Base-Backbone interact. energy: -0.802 local terms energy: -710.102027 where: bonds (distance) C4'-P energy: -105.714 bonds (distance) P-C4' energy: -141.404 flat angles C4'-P-C4' energy: -155.172 flat angles P-C4'-P energy: -101.865 tors. eta vs tors. theta energy: -205.946 Dist. restrs. and SS energy: 0.000 (S_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: 422 Temperature: 1.250000 Total energy: -2259.609818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.609818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.609818 (E_RNA) where: Base-Base interactions energy: -1560.352 where: short stacking energy: -659.106 Base-Backbone interact. energy: 5.742 local terms energy: -704.999257 where: bonds (distance) C4'-P energy: -114.683 bonds (distance) P-C4' energy: -151.482 flat angles C4'-P-C4' energy: -148.691 flat angles P-C4'-P energy: -98.194 tors. eta vs tors. theta energy: -191.949 Dist. restrs. and SS energy: 0.000 (S_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: 422 Temperature: 1.300000 Total energy: -2186.732381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.732381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.732381 (E_RNA) where: Base-Base interactions energy: -1511.212 where: short stacking energy: -617.011 Base-Backbone interact. energy: -0.953 local terms energy: -674.567054 where: bonds (distance) C4'-P energy: -117.250 bonds (distance) P-C4' energy: -136.911 flat angles C4'-P-C4' energy: -145.132 flat angles P-C4'-P energy: -98.317 tors. eta vs tors. theta energy: -176.957 Dist. restrs. and SS energy: 0.000 (S_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: 422 Temperature: 1.350000 Total energy: -2063.191079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.191079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.191079 (E_RNA) where: Base-Base interactions energy: -1430.420 where: short stacking energy: -594.893 Base-Backbone interact. energy: 2.685 local terms energy: -635.456274 where: bonds (distance) C4'-P energy: -111.603 bonds (distance) P-C4' energy: -136.608 flat angles C4'-P-C4' energy: -140.300 flat angles P-C4'-P energy: -81.998 tors. eta vs tors. theta energy: -164.947 Dist. restrs. and SS energy: 0.000 (S_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: 423 Temperature: 0.900000 Total energy: -2708.762030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.762030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.762030 (E_RNA) where: Base-Base interactions energy: -1938.409 where: short stacking energy: -755.585 Base-Backbone interact. energy: -3.051 local terms energy: -767.302603 where: bonds (distance) C4'-P energy: -120.528 bonds (distance) P-C4' energy: -159.639 flat angles C4'-P-C4' energy: -151.672 flat angles P-C4'-P energy: -114.840 tors. eta vs tors. theta energy: -220.623 Dist. restrs. and SS energy: 0.000 (S_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: 423 Temperature: 0.950000 Total energy: -2685.809968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.809968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.809968 (E_RNA) where: Base-Base interactions energy: -1910.416 where: short stacking energy: -758.354 Base-Backbone interact. energy: -3.097 local terms energy: -772.297079 where: bonds (distance) C4'-P energy: -128.361 bonds (distance) P-C4' energy: -146.647 flat angles C4'-P-C4' energy: -165.304 flat angles P-C4'-P energy: -110.400 tors. eta vs tors. theta energy: -221.586 Dist. restrs. and SS energy: 0.000 (S_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: 423 Temperature: 1.000000 Total energy: -2627.246228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.246228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.246228 (E_RNA) where: Base-Base interactions energy: -1863.707 where: short stacking energy: -757.166 Base-Backbone interact. energy: -2.985 local terms energy: -760.555082 where: bonds (distance) C4'-P energy: -104.473 bonds (distance) P-C4' energy: -158.490 flat angles C4'-P-C4' energy: -155.018 flat angles P-C4'-P energy: -116.760 tors. eta vs tors. theta energy: -225.814 Dist. restrs. and SS energy: 0.000 (S_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: 423 Temperature: 1.050000 Total energy: -2527.519774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.519774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.519774 (E_RNA) where: Base-Base interactions energy: -1770.996 where: short stacking energy: -714.930 Base-Backbone interact. energy: -0.239 local terms energy: -756.284591 where: bonds (distance) C4'-P energy: -122.501 bonds (distance) P-C4' energy: -145.489 flat angles C4'-P-C4' energy: -158.670 flat angles P-C4'-P energy: -107.397 tors. eta vs tors. theta energy: -222.228 Dist. restrs. and SS energy: 0.000 (S_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: 423 Temperature: 1.100000 Total energy: -2469.598119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.598119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.598119 (E_RNA) where: Base-Base interactions energy: -1729.112 where: short stacking energy: -709.841 Base-Backbone interact. energy: -0.958 local terms energy: -739.529028 where: bonds (distance) C4'-P energy: -124.349 bonds (distance) P-C4' energy: -143.549 flat angles C4'-P-C4' energy: -155.822 flat angles P-C4'-P energy: -105.671 tors. eta vs tors. theta energy: -210.138 Dist. restrs. and SS energy: 0.000 (S_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: 423 Temperature: 1.150000 Total energy: -2477.220895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.220895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.220895 (E_RNA) where: Base-Base interactions energy: -1753.491 where: short stacking energy: -703.108 Base-Backbone interact. energy: -0.239 local terms energy: -723.491032 where: bonds (distance) C4'-P energy: -110.915 bonds (distance) P-C4' energy: -140.199 flat angles C4'-P-C4' energy: -159.990 flat angles P-C4'-P energy: -99.879 tors. eta vs tors. theta energy: -212.508 Dist. restrs. and SS energy: 0.000 (S_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: 423 Temperature: 1.200000 Total energy: -2375.336744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.336744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.336744 (E_RNA) where: Base-Base interactions energy: -1673.700 where: short stacking energy: -662.213 Base-Backbone interact. energy: -1.689 local terms energy: -699.947490 where: bonds (distance) C4'-P energy: -103.399 bonds (distance) P-C4' energy: -146.359 flat angles C4'-P-C4' energy: -153.327 flat angles P-C4'-P energy: -103.516 tors. eta vs tors. theta energy: -193.345 Dist. restrs. and SS energy: 0.000 (S_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: 423 Temperature: 1.250000 Total energy: -2293.432787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.432787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.432787 (E_RNA) where: Base-Base interactions energy: -1603.653 where: short stacking energy: -656.279 Base-Backbone interact. energy: -0.969 local terms energy: -688.810341 where: bonds (distance) C4'-P energy: -114.200 bonds (distance) P-C4' energy: -134.672 flat angles C4'-P-C4' energy: -144.155 flat angles P-C4'-P energy: -103.976 tors. eta vs tors. theta energy: -191.807 Dist. restrs. and SS energy: 0.000 (S_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: 423 Temperature: 1.300000 Total energy: -2182.938220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.938220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.938220 (E_RNA) where: Base-Base interactions energy: -1548.787 where: short stacking energy: -612.847 Base-Backbone interact. energy: 2.560 local terms energy: -636.710733 where: bonds (distance) C4'-P energy: -103.479 bonds (distance) P-C4' energy: -128.806 flat angles C4'-P-C4' energy: -134.657 flat angles P-C4'-P energy: -97.262 tors. eta vs tors. theta energy: -172.506 Dist. restrs. and SS energy: 0.000 (S_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: 423 Temperature: 1.350000 Total energy: -2073.900534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.900534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.900534 (E_RNA) where: Base-Base interactions energy: -1445.683 where: short stacking energy: -606.729 Base-Backbone interact. energy: -2.510 local terms energy: -625.707906 where: bonds (distance) C4'-P energy: -100.638 bonds (distance) P-C4' energy: -140.917 flat angles C4'-P-C4' energy: -126.166 flat angles P-C4'-P energy: -85.685 tors. eta vs tors. theta energy: -172.302 Dist. restrs. and SS energy: 0.000 (S_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: 424 Temperature: 0.900000 Total energy: -2716.198877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.198877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.198877 (E_RNA) where: Base-Base interactions energy: -1927.340 where: short stacking energy: -761.986 Base-Backbone interact. energy: -2.539 local terms energy: -786.320433 where: bonds (distance) C4'-P energy: -127.690 bonds (distance) P-C4' energy: -150.474 flat angles C4'-P-C4' energy: -159.004 flat angles P-C4'-P energy: -122.978 tors. eta vs tors. theta energy: -226.175 Dist. restrs. and SS energy: 0.000 (S_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: 424 Temperature: 0.950000 Total energy: -2680.422165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.422165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.422165 (E_RNA) where: Base-Base interactions energy: -1907.682 where: short stacking energy: -768.672 Base-Backbone interact. energy: -2.754 local terms energy: -769.986395 where: bonds (distance) C4'-P energy: -126.435 bonds (distance) P-C4' energy: -151.225 flat angles C4'-P-C4' energy: -158.554 flat angles P-C4'-P energy: -103.603 tors. eta vs tors. theta energy: -230.169 Dist. restrs. and SS energy: 0.000 (S_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: 424 Temperature: 1.000000 Total energy: -2638.412119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.412119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.412119 (E_RNA) where: Base-Base interactions energy: -1873.240 where: short stacking energy: -754.173 Base-Backbone interact. energy: -2.094 local terms energy: -763.078611 where: bonds (distance) C4'-P energy: -119.233 bonds (distance) P-C4' energy: -153.697 flat angles C4'-P-C4' energy: -163.145 flat angles P-C4'-P energy: -100.785 tors. eta vs tors. theta energy: -226.218 Dist. restrs. and SS energy: 0.000 (S_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: 424 Temperature: 1.050000 Total energy: -2508.710337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.710337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.710337 (E_RNA) where: Base-Base interactions energy: -1756.348 where: short stacking energy: -713.680 Base-Backbone interact. energy: -3.308 local terms energy: -749.053682 where: bonds (distance) C4'-P energy: -111.728 bonds (distance) P-C4' energy: -156.442 flat angles C4'-P-C4' energy: -157.729 flat angles P-C4'-P energy: -108.948 tors. eta vs tors. theta energy: -214.207 Dist. restrs. and SS energy: 0.000 (S_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: 424 Temperature: 1.100000 Total energy: -2471.459723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.459723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.459723 (E_RNA) where: Base-Base interactions energy: -1739.069 where: short stacking energy: -688.289 Base-Backbone interact. energy: -2.345 local terms energy: -730.045720 where: bonds (distance) C4'-P energy: -118.861 bonds (distance) P-C4' energy: -143.627 flat angles C4'-P-C4' energy: -159.903 flat angles P-C4'-P energy: -103.005 tors. eta vs tors. theta energy: -204.649 Dist. restrs. and SS energy: 0.000 (S_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: 424 Temperature: 1.150000 Total energy: -2471.479522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.479522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.479522 (E_RNA) where: Base-Base interactions energy: -1752.491 where: short stacking energy: -702.642 Base-Backbone interact. energy: -1.966 local terms energy: -717.022059 where: bonds (distance) C4'-P energy: -109.911 bonds (distance) P-C4' energy: -137.788 flat angles C4'-P-C4' energy: -150.480 flat angles P-C4'-P energy: -108.180 tors. eta vs tors. theta energy: -210.662 Dist. restrs. and SS energy: 0.000 (S_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: 424 Temperature: 1.200000 Total energy: -2361.006723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.006723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.006723 (E_RNA) where: Base-Base interactions energy: -1681.695 where: short stacking energy: -680.313 Base-Backbone interact. energy: -1.149 local terms energy: -678.162195 where: bonds (distance) C4'-P energy: -108.833 bonds (distance) P-C4' energy: -144.613 flat angles C4'-P-C4' energy: -141.872 flat angles P-C4'-P energy: -86.865 tors. eta vs tors. theta energy: -195.980 Dist. restrs. and SS energy: 0.000 (S_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: 424 Temperature: 1.250000 Total energy: -2307.193031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.193031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.193031 (E_RNA) where: Base-Base interactions energy: -1617.131 where: short stacking energy: -667.308 Base-Backbone interact. energy: 0.660 local terms energy: -690.721659 where: bonds (distance) C4'-P energy: -114.156 bonds (distance) P-C4' energy: -145.197 flat angles C4'-P-C4' energy: -147.840 flat angles P-C4'-P energy: -85.252 tors. eta vs tors. theta energy: -198.276 Dist. restrs. and SS energy: 0.000 (S_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: 424 Temperature: 1.300000 Total energy: -2208.082437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.082437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.082437 (E_RNA) where: Base-Base interactions energy: -1517.992 where: short stacking energy: -623.894 Base-Backbone interact. energy: -1.448 local terms energy: -688.641795 where: bonds (distance) C4'-P energy: -120.772 bonds (distance) P-C4' energy: -143.548 flat angles C4'-P-C4' energy: -144.403 flat angles P-C4'-P energy: -101.084 tors. eta vs tors. theta energy: -178.835 Dist. restrs. and SS energy: 0.000 (S_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: 424 Temperature: 1.350000 Total energy: -2051.629780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.629780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.629780 (E_RNA) where: Base-Base interactions energy: -1431.621 where: short stacking energy: -592.249 Base-Backbone interact. energy: 0.065 local terms energy: -620.073323 where: bonds (distance) C4'-P energy: -103.507 bonds (distance) P-C4' energy: -130.956 flat angles C4'-P-C4' energy: -134.473 flat angles P-C4'-P energy: -82.032 tors. eta vs tors. theta energy: -169.105 Dist. restrs. and SS energy: 0.000 (S_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: 425 Temperature: 0.900000 Total energy: -2707.923336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.923336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.923336 (E_RNA) where: Base-Base interactions energy: -1932.968 where: short stacking energy: -764.385 Base-Backbone interact. energy: -2.403 local terms energy: -772.552337 where: bonds (distance) C4'-P energy: -120.129 bonds (distance) P-C4' energy: -153.316 flat angles C4'-P-C4' energy: -163.123 flat angles P-C4'-P energy: -110.677 tors. eta vs tors. theta energy: -225.307 Dist. restrs. and SS energy: 0.000 (S_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: 425 Temperature: 0.950000 Total energy: -2714.696795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.696795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.696795 (E_RNA) where: Base-Base interactions energy: -1926.740 where: short stacking energy: -769.679 Base-Backbone interact. energy: -3.070 local terms energy: -784.887421 where: bonds (distance) C4'-P energy: -120.262 bonds (distance) P-C4' energy: -155.673 flat angles C4'-P-C4' energy: -167.246 flat angles P-C4'-P energy: -113.098 tors. eta vs tors. theta energy: -228.608 Dist. restrs. and SS energy: 0.000 (S_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: 425 Temperature: 1.000000 Total energy: -2622.759833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.759833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.759833 (E_RNA) where: Base-Base interactions energy: -1851.104 where: short stacking energy: -749.886 Base-Backbone interact. energy: -3.784 local terms energy: -767.871558 where: bonds (distance) C4'-P energy: -118.982 bonds (distance) P-C4' energy: -154.845 flat angles C4'-P-C4' energy: -155.262 flat angles P-C4'-P energy: -109.881 tors. eta vs tors. theta energy: -228.902 Dist. restrs. and SS energy: 0.000 (S_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: 425 Temperature: 1.050000 Total energy: -2494.666492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.666492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.666492 (E_RNA) where: Base-Base interactions energy: -1752.634 where: short stacking energy: -718.076 Base-Backbone interact. energy: -1.862 local terms energy: -740.169835 where: bonds (distance) C4'-P energy: -116.141 bonds (distance) P-C4' energy: -148.926 flat angles C4'-P-C4' energy: -155.832 flat angles P-C4'-P energy: -103.841 tors. eta vs tors. theta energy: -215.430 Dist. restrs. and SS energy: 0.000 (S_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: 425 Temperature: 1.100000 Total energy: -2493.254045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.254045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.254045 (E_RNA) where: Base-Base interactions energy: -1770.636 where: short stacking energy: -708.335 Base-Backbone interact. energy: -1.341 local terms energy: -721.276444 where: bonds (distance) C4'-P energy: -106.083 bonds (distance) P-C4' energy: -143.805 flat angles C4'-P-C4' energy: -150.432 flat angles P-C4'-P energy: -107.039 tors. eta vs tors. theta energy: -213.917 Dist. restrs. and SS energy: 0.000 (S_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: 425 Temperature: 1.150000 Total energy: -2480.844354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.844354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.844354 (E_RNA) where: Base-Base interactions energy: -1753.256 where: short stacking energy: -704.340 Base-Backbone interact. energy: -0.317 local terms energy: -727.271390 where: bonds (distance) C4'-P energy: -106.961 bonds (distance) P-C4' energy: -143.987 flat angles C4'-P-C4' energy: -150.998 flat angles P-C4'-P energy: -109.070 tors. eta vs tors. theta energy: -216.255 Dist. restrs. and SS energy: 0.000 (S_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: 425 Temperature: 1.200000 Total energy: -2388.052561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.052561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.052561 (E_RNA) where: Base-Base interactions energy: -1684.026 where: short stacking energy: -689.694 Base-Backbone interact. energy: -2.327 local terms energy: -701.699105 where: bonds (distance) C4'-P energy: -114.982 bonds (distance) P-C4' energy: -140.631 flat angles C4'-P-C4' energy: -145.758 flat angles P-C4'-P energy: -94.681 tors. eta vs tors. theta energy: -205.647 Dist. restrs. and SS energy: 0.000 (S_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: 425 Temperature: 1.250000 Total energy: -2308.475360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.475360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.475360 (E_RNA) where: Base-Base interactions energy: -1631.782 where: short stacking energy: -659.086 Base-Backbone interact. energy: -1.963 local terms energy: -674.730405 where: bonds (distance) C4'-P energy: -112.062 bonds (distance) P-C4' energy: -124.641 flat angles C4'-P-C4' energy: -144.901 flat angles P-C4'-P energy: -96.668 tors. eta vs tors. theta energy: -196.458 Dist. restrs. and SS energy: 0.000 (S_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: 425 Temperature: 1.300000 Total energy: -2185.396185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.396185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.396185 (E_RNA) where: Base-Base interactions energy: -1519.607 where: short stacking energy: -617.563 Base-Backbone interact. energy: -1.520 local terms energy: -664.269402 where: bonds (distance) C4'-P energy: -103.585 bonds (distance) P-C4' energy: -124.297 flat angles C4'-P-C4' energy: -144.278 flat angles P-C4'-P energy: -102.053 tors. eta vs tors. theta energy: -190.057 Dist. restrs. and SS energy: 0.000 (S_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: 425 Temperature: 1.350000 Total energy: -2038.633498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.633498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.633498 (E_RNA) where: Base-Base interactions energy: -1413.594 where: short stacking energy: -582.284 Base-Backbone interact. energy: -0.893 local terms energy: -624.147364 where: bonds (distance) C4'-P energy: -102.929 bonds (distance) P-C4' energy: -138.488 flat angles C4'-P-C4' energy: -139.493 flat angles P-C4'-P energy: -83.262 tors. eta vs tors. theta energy: -159.975 Dist. restrs. and SS energy: 0.000 (S_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: 426 Temperature: 0.900000 Total energy: -2711.153953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.153953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.153953 (E_RNA) where: Base-Base interactions energy: -1931.056 where: short stacking energy: -766.638 Base-Backbone interact. energy: -1.797 local terms energy: -778.301118 where: bonds (distance) C4'-P energy: -120.464 bonds (distance) P-C4' energy: -152.828 flat angles C4'-P-C4' energy: -151.610 flat angles P-C4'-P energy: -112.541 tors. eta vs tors. theta energy: -240.859 Dist. restrs. and SS energy: 0.000 (S_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: 426 Temperature: 0.950000 Total energy: -2682.694307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.694307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.694307 (E_RNA) where: Base-Base interactions energy: -1907.498 where: short stacking energy: -744.798 Base-Backbone interact. energy: -5.184 local terms energy: -770.012455 where: bonds (distance) C4'-P energy: -123.432 bonds (distance) P-C4' energy: -145.331 flat angles C4'-P-C4' energy: -159.330 flat angles P-C4'-P energy: -113.727 tors. eta vs tors. theta energy: -228.193 Dist. restrs. and SS energy: 0.000 (S_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: 426 Temperature: 1.000000 Total energy: -2599.877743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.877743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.877743 (E_RNA) where: Base-Base interactions energy: -1850.203 where: short stacking energy: -733.235 Base-Backbone interact. energy: -2.155 local terms energy: -747.519698 where: bonds (distance) C4'-P energy: -114.193 bonds (distance) P-C4' energy: -144.551 flat angles C4'-P-C4' energy: -145.404 flat angles P-C4'-P energy: -114.169 tors. eta vs tors. theta energy: -229.203 Dist. restrs. and SS energy: 0.000 (S_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: 426 Temperature: 1.050000 Total energy: -2518.908444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.908444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.908444 (E_RNA) where: Base-Base interactions energy: -1782.449 where: short stacking energy: -722.350 Base-Backbone interact. energy: -0.929 local terms energy: -735.530638 where: bonds (distance) C4'-P energy: -127.001 bonds (distance) P-C4' energy: -143.339 flat angles C4'-P-C4' energy: -145.166 flat angles P-C4'-P energy: -102.327 tors. eta vs tors. theta energy: -217.698 Dist. restrs. and SS energy: 0.000 (S_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: 426 Temperature: 1.100000 Total energy: -2537.446236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.446236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.446236 (E_RNA) where: Base-Base interactions energy: -1794.622 where: short stacking energy: -737.795 Base-Backbone interact. energy: -0.841 local terms energy: -741.982761 where: bonds (distance) C4'-P energy: -118.335 bonds (distance) P-C4' energy: -152.763 flat angles C4'-P-C4' energy: -148.692 flat angles P-C4'-P energy: -103.402 tors. eta vs tors. theta energy: -218.790 Dist. restrs. and SS energy: 0.000 (S_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: 426 Temperature: 1.150000 Total energy: -2454.099974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.099974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.099974 (E_RNA) where: Base-Base interactions energy: -1732.988 where: short stacking energy: -715.227 Base-Backbone interact. energy: -2.855 local terms energy: -718.256407 where: bonds (distance) C4'-P energy: -120.496 bonds (distance) P-C4' energy: -139.270 flat angles C4'-P-C4' energy: -150.558 flat angles P-C4'-P energy: -101.207 tors. eta vs tors. theta energy: -206.725 Dist. restrs. and SS energy: 0.000 (S_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: 426 Temperature: 1.200000 Total energy: -2412.819806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.819806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.819806 (E_RNA) where: Base-Base interactions energy: -1719.483 where: short stacking energy: -692.776 Base-Backbone interact. energy: -0.056 local terms energy: -693.280546 where: bonds (distance) C4'-P energy: -101.942 bonds (distance) P-C4' energy: -141.316 flat angles C4'-P-C4' energy: -143.436 flat angles P-C4'-P energy: -98.327 tors. eta vs tors. theta energy: -208.260 Dist. restrs. and SS energy: 0.000 (S_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: 426 Temperature: 1.250000 Total energy: -2335.935956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.935956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.935956 (E_RNA) where: Base-Base interactions energy: -1616.083 where: short stacking energy: -668.207 Base-Backbone interact. energy: -1.547 local terms energy: -718.306155 where: bonds (distance) C4'-P energy: -105.068 bonds (distance) P-C4' energy: -154.512 flat angles C4'-P-C4' energy: -151.884 flat angles P-C4'-P energy: -103.038 tors. eta vs tors. theta energy: -203.804 Dist. restrs. and SS energy: 0.000 (S_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: 426 Temperature: 1.300000 Total energy: -2190.105710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.105710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.105710 (E_RNA) where: Base-Base interactions energy: -1548.122 where: short stacking energy: -607.963 Base-Backbone interact. energy: -1.177 local terms energy: -640.805878 where: bonds (distance) C4'-P energy: -107.459 bonds (distance) P-C4' energy: -137.306 flat angles C4'-P-C4' energy: -137.370 flat angles P-C4'-P energy: -86.932 tors. eta vs tors. theta energy: -171.740 Dist. restrs. and SS energy: 0.000 (S_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: 426 Temperature: 1.350000 Total energy: -2071.946680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.946680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.946680 (E_RNA) where: Base-Base interactions energy: -1438.702 where: short stacking energy: -609.320 Base-Backbone interact. energy: -0.828 local terms energy: -632.416753 where: bonds (distance) C4'-P energy: -113.768 bonds (distance) P-C4' energy: -133.805 flat angles C4'-P-C4' energy: -123.648 flat angles P-C4'-P energy: -83.073 tors. eta vs tors. theta energy: -178.122 Dist. restrs. and SS energy: 0.000 (S_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: 427 Temperature: 0.900000 Total energy: -2716.063419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.063419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.063419 (E_RNA) where: Base-Base interactions energy: -1927.418 where: short stacking energy: -762.049 Base-Backbone interact. energy: -1.223 local terms energy: -787.422784 where: bonds (distance) C4'-P energy: -128.254 bonds (distance) P-C4' energy: -157.751 flat angles C4'-P-C4' energy: -156.460 flat angles P-C4'-P energy: -108.792 tors. eta vs tors. theta energy: -236.165 Dist. restrs. and SS energy: 0.000 (S_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: 427 Temperature: 0.950000 Total energy: -2666.189261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.189261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.189261 (E_RNA) where: Base-Base interactions energy: -1904.916 where: short stacking energy: -741.048 Base-Backbone interact. energy: -0.101 local terms energy: -761.171818 where: bonds (distance) C4'-P energy: -107.027 bonds (distance) P-C4' energy: -154.339 flat angles C4'-P-C4' energy: -157.318 flat angles P-C4'-P energy: -116.377 tors. eta vs tors. theta energy: -226.110 Dist. restrs. and SS energy: 0.000 (S_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: 427 Temperature: 1.000000 Total energy: -2630.608079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.608079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.608079 (E_RNA) where: Base-Base interactions energy: -1878.799 where: short stacking energy: -752.615 Base-Backbone interact. energy: -0.712 local terms energy: -751.097843 where: bonds (distance) C4'-P energy: -125.657 bonds (distance) P-C4' energy: -152.062 flat angles C4'-P-C4' energy: -151.635 flat angles P-C4'-P energy: -101.390 tors. eta vs tors. theta energy: -220.354 Dist. restrs. and SS energy: 0.000 (S_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: 427 Temperature: 1.050000 Total energy: -2512.106328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.106328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.106328 (E_RNA) where: Base-Base interactions energy: -1782.074 where: short stacking energy: -715.812 Base-Backbone interact. energy: -2.442 local terms energy: -727.591057 where: bonds (distance) C4'-P energy: -121.398 bonds (distance) P-C4' energy: -154.401 flat angles C4'-P-C4' energy: -138.422 flat angles P-C4'-P energy: -96.713 tors. eta vs tors. theta energy: -216.657 Dist. restrs. and SS energy: 0.000 (S_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: 427 Temperature: 1.100000 Total energy: -2510.195085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.195085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.195085 (E_RNA) where: Base-Base interactions energy: -1759.461 where: short stacking energy: -715.544 Base-Backbone interact. energy: -0.794 local terms energy: -749.940134 where: bonds (distance) C4'-P energy: -118.848 bonds (distance) P-C4' energy: -140.758 flat angles C4'-P-C4' energy: -158.768 flat angles P-C4'-P energy: -111.092 tors. eta vs tors. theta energy: -220.474 Dist. restrs. and SS energy: 0.000 (S_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: 427 Temperature: 1.150000 Total energy: -2457.650327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.650327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.650327 (E_RNA) where: Base-Base interactions energy: -1730.612 where: short stacking energy: -701.191 Base-Backbone interact. energy: -0.086 local terms energy: -726.952391 where: bonds (distance) C4'-P energy: -124.146 bonds (distance) P-C4' energy: -136.862 flat angles C4'-P-C4' energy: -149.462 flat angles P-C4'-P energy: -100.973 tors. eta vs tors. theta energy: -215.509 Dist. restrs. and SS energy: 0.000 (S_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: 427 Temperature: 1.200000 Total energy: -2392.888982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.888982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.888982 (E_RNA) where: Base-Base interactions energy: -1695.376 where: short stacking energy: -686.943 Base-Backbone interact. energy: 0.356 local terms energy: -697.869675 where: bonds (distance) C4'-P energy: -111.384 bonds (distance) P-C4' energy: -133.743 flat angles C4'-P-C4' energy: -149.274 flat angles P-C4'-P energy: -99.973 tors. eta vs tors. theta energy: -203.495 Dist. restrs. and SS energy: 0.000 (S_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: 427 Temperature: 1.250000 Total energy: -2296.813235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.813235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.813235 (E_RNA) where: Base-Base interactions energy: -1603.516 where: short stacking energy: -659.982 Base-Backbone interact. energy: 1.681 local terms energy: -694.978074 where: bonds (distance) C4'-P energy: -111.326 bonds (distance) P-C4' energy: -146.579 flat angles C4'-P-C4' energy: -143.955 flat angles P-C4'-P energy: -89.635 tors. eta vs tors. theta energy: -203.484 Dist. restrs. and SS energy: 0.000 (S_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: 427 Temperature: 1.300000 Total energy: -2186.593313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.593313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.593313 (E_RNA) where: Base-Base interactions energy: -1513.219 where: short stacking energy: -617.666 Base-Backbone interact. energy: 0.301 local terms energy: -673.675274 where: bonds (distance) C4'-P energy: -86.416 bonds (distance) P-C4' energy: -147.851 flat angles C4'-P-C4' energy: -163.671 flat angles P-C4'-P energy: -98.227 tors. eta vs tors. theta energy: -177.510 Dist. restrs. and SS energy: 0.000 (S_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: 427 Temperature: 1.350000 Total energy: -2058.489917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.489917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.489917 (E_RNA) where: Base-Base interactions energy: -1432.781 where: short stacking energy: -589.637 Base-Backbone interact. energy: 0.281 local terms energy: -625.989380 where: bonds (distance) C4'-P energy: -104.408 bonds (distance) P-C4' energy: -133.593 flat angles C4'-P-C4' energy: -142.223 flat angles P-C4'-P energy: -79.581 tors. eta vs tors. theta energy: -166.184 Dist. restrs. and SS energy: 0.000 (S_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: 428 Temperature: 0.900000 Total energy: -2703.003053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.003053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.003053 (E_RNA) where: Base-Base interactions energy: -1938.849 where: short stacking energy: -763.040 Base-Backbone interact. energy: -2.482 local terms energy: -761.672519 where: bonds (distance) C4'-P energy: -120.386 bonds (distance) P-C4' energy: -153.966 flat angles C4'-P-C4' energy: -158.054 flat angles P-C4'-P energy: -101.023 tors. eta vs tors. theta energy: -228.243 Dist. restrs. and SS energy: 0.000 (S_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: 428 Temperature: 0.950000 Total energy: -2671.073528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.073528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.073528 (E_RNA) where: Base-Base interactions energy: -1907.637 where: short stacking energy: -754.424 Base-Backbone interact. energy: -1.498 local terms energy: -761.938333 where: bonds (distance) C4'-P energy: -120.390 bonds (distance) P-C4' energy: -147.350 flat angles C4'-P-C4' energy: -160.699 flat angles P-C4'-P energy: -111.422 tors. eta vs tors. theta energy: -222.077 Dist. restrs. and SS energy: 0.000 (S_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: 428 Temperature: 1.000000 Total energy: -2655.505346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.505346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.505346 (E_RNA) where: Base-Base interactions energy: -1891.787 where: short stacking energy: -763.696 Base-Backbone interact. energy: -3.539 local terms energy: -760.178457 where: bonds (distance) C4'-P energy: -111.256 bonds (distance) P-C4' energy: -149.790 flat angles C4'-P-C4' energy: -157.395 flat angles P-C4'-P energy: -109.246 tors. eta vs tors. theta energy: -232.491 Dist. restrs. and SS energy: 0.000 (S_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: 428 Temperature: 1.050000 Total energy: -2534.750969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.750969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.750969 (E_RNA) where: Base-Base interactions energy: -1777.447 where: short stacking energy: -717.206 Base-Backbone interact. energy: -1.529 local terms energy: -755.774469 where: bonds (distance) C4'-P energy: -116.437 bonds (distance) P-C4' energy: -154.216 flat angles C4'-P-C4' energy: -154.410 flat angles P-C4'-P energy: -104.450 tors. eta vs tors. theta energy: -226.262 Dist. restrs. and SS energy: 0.000 (S_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: 428 Temperature: 1.100000 Total energy: -2500.940301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.940301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.940301 (E_RNA) where: Base-Base interactions energy: -1765.294 where: short stacking energy: -711.191 Base-Backbone interact. energy: 0.196 local terms energy: -735.842714 where: bonds (distance) C4'-P energy: -103.016 bonds (distance) P-C4' energy: -149.579 flat angles C4'-P-C4' energy: -149.998 flat angles P-C4'-P energy: -110.263 tors. eta vs tors. theta energy: -222.986 Dist. restrs. and SS energy: 0.000 (S_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: 428 Temperature: 1.150000 Total energy: -2426.700520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.700520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.700520 (E_RNA) where: Base-Base interactions energy: -1733.648 where: short stacking energy: -702.276 Base-Backbone interact. energy: -2.066 local terms energy: -690.986161 where: bonds (distance) C4'-P energy: -109.391 bonds (distance) P-C4' energy: -129.972 flat angles C4'-P-C4' energy: -148.996 flat angles P-C4'-P energy: -94.938 tors. eta vs tors. theta energy: -207.689 Dist. restrs. and SS energy: 0.000 (S_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: 428 Temperature: 1.200000 Total energy: -2399.275548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.275548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.275548 (E_RNA) where: Base-Base interactions energy: -1693.241 where: short stacking energy: -683.122 Base-Backbone interact. energy: 0.376 local terms energy: -706.410500 where: bonds (distance) C4'-P energy: -106.589 bonds (distance) P-C4' energy: -142.989 flat angles C4'-P-C4' energy: -151.146 flat angles P-C4'-P energy: -99.694 tors. eta vs tors. theta energy: -205.993 Dist. restrs. and SS energy: 0.000 (S_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: 428 Temperature: 1.250000 Total energy: -2317.682207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.682207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.682207 (E_RNA) where: Base-Base interactions energy: -1629.039 where: short stacking energy: -676.033 Base-Backbone interact. energy: -1.624 local terms energy: -687.019432 where: bonds (distance) C4'-P energy: -103.821 bonds (distance) P-C4' energy: -130.224 flat angles C4'-P-C4' energy: -152.133 flat angles P-C4'-P energy: -102.670 tors. eta vs tors. theta energy: -198.172 Dist. restrs. and SS energy: 0.000 (S_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: 428 Temperature: 1.300000 Total energy: -2187.485124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.485124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.485124 (E_RNA) where: Base-Base interactions energy: -1530.090 where: short stacking energy: -619.487 Base-Backbone interact. energy: 1.628 local terms energy: -659.023177 where: bonds (distance) C4'-P energy: -99.744 bonds (distance) P-C4' energy: -142.153 flat angles C4'-P-C4' energy: -148.399 flat angles P-C4'-P energy: -94.610 tors. eta vs tors. theta energy: -174.118 Dist. restrs. and SS energy: 0.000 (S_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: 428 Temperature: 1.350000 Total energy: -2063.096594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.096594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.096594 (E_RNA) where: Base-Base interactions energy: -1413.893 where: short stacking energy: -580.520 Base-Backbone interact. energy: -1.106 local terms energy: -648.097193 where: bonds (distance) C4'-P energy: -105.958 bonds (distance) P-C4' energy: -136.523 flat angles C4'-P-C4' energy: -131.058 flat angles P-C4'-P energy: -107.718 tors. eta vs tors. theta energy: -166.840 Dist. restrs. and SS energy: 0.000 (S_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: 429 Temperature: 0.900000 Total energy: -2700.854732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.854732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.854732 (E_RNA) where: Base-Base interactions energy: -1919.200 where: short stacking energy: -754.965 Base-Backbone interact. energy: -2.282 local terms energy: -779.372667 where: bonds (distance) C4'-P energy: -124.684 bonds (distance) P-C4' energy: -151.741 flat angles C4'-P-C4' energy: -159.638 flat angles P-C4'-P energy: -113.039 tors. eta vs tors. theta energy: -230.270 Dist. restrs. and SS energy: 0.000 (S_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: 429 Temperature: 0.950000 Total energy: -2672.587752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.587752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.587752 (E_RNA) where: Base-Base interactions energy: -1909.237 where: short stacking energy: -759.210 Base-Backbone interact. energy: -3.718 local terms energy: -759.633108 where: bonds (distance) C4'-P energy: -120.493 bonds (distance) P-C4' energy: -140.674 flat angles C4'-P-C4' energy: -161.461 flat angles P-C4'-P energy: -110.005 tors. eta vs tors. theta energy: -226.999 Dist. restrs. and SS energy: 0.000 (S_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: 429 Temperature: 1.000000 Total energy: -2647.514959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.514959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.514959 (E_RNA) where: Base-Base interactions energy: -1888.179 where: short stacking energy: -744.932 Base-Backbone interact. energy: 1.808 local terms energy: -761.144081 where: bonds (distance) C4'-P energy: -112.792 bonds (distance) P-C4' energy: -147.484 flat angles C4'-P-C4' energy: -161.729 flat angles P-C4'-P energy: -113.453 tors. eta vs tors. theta energy: -225.686 Dist. restrs. and SS energy: 0.000 (S_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: 429 Temperature: 1.050000 Total energy: -2545.347960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.347960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.347960 (E_RNA) where: Base-Base interactions energy: -1813.609 where: short stacking energy: -732.165 Base-Backbone interact. energy: -1.731 local terms energy: -730.007900 where: bonds (distance) C4'-P energy: -112.648 bonds (distance) P-C4' energy: -143.214 flat angles C4'-P-C4' energy: -148.385 flat angles P-C4'-P energy: -104.254 tors. eta vs tors. theta energy: -221.506 Dist. restrs. and SS energy: 0.000 (S_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: 429 Temperature: 1.100000 Total energy: -2506.289458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.289458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.289458 (E_RNA) where: Base-Base interactions energy: -1781.492 where: short stacking energy: -713.833 Base-Backbone interact. energy: -2.677 local terms energy: -722.120664 where: bonds (distance) C4'-P energy: -107.078 bonds (distance) P-C4' energy: -144.396 flat angles C4'-P-C4' energy: -150.546 flat angles P-C4'-P energy: -97.857 tors. eta vs tors. theta energy: -222.244 Dist. restrs. and SS energy: 0.000 (S_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: 429 Temperature: 1.150000 Total energy: -2439.677194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.677194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.677194 (E_RNA) where: Base-Base interactions energy: -1716.409 where: short stacking energy: -696.778 Base-Backbone interact. energy: -1.370 local terms energy: -721.898501 where: bonds (distance) C4'-P energy: -114.849 bonds (distance) P-C4' energy: -141.638 flat angles C4'-P-C4' energy: -144.613 flat angles P-C4'-P energy: -113.531 tors. eta vs tors. theta energy: -207.267 Dist. restrs. and SS energy: 0.000 (S_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: 429 Temperature: 1.200000 Total energy: -2323.274949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.274949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.274949 (E_RNA) where: Base-Base interactions energy: -1615.093 where: short stacking energy: -677.174 Base-Backbone interact. energy: -0.558 local terms energy: -707.623807 where: bonds (distance) C4'-P energy: -111.674 bonds (distance) P-C4' energy: -149.263 flat angles C4'-P-C4' energy: -147.292 flat angles P-C4'-P energy: -103.326 tors. eta vs tors. theta energy: -196.069 Dist. restrs. and SS energy: 0.000 (S_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: 429 Temperature: 1.250000 Total energy: -2313.531768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.531768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.531768 (E_RNA) where: Base-Base interactions energy: -1605.546 where: short stacking energy: -654.315 Base-Backbone interact. energy: -2.433 local terms energy: -705.553009 where: bonds (distance) C4'-P energy: -115.978 bonds (distance) P-C4' energy: -150.577 flat angles C4'-P-C4' energy: -148.454 flat angles P-C4'-P energy: -96.010 tors. eta vs tors. theta energy: -194.534 Dist. restrs. and SS energy: 0.000 (S_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: 429 Temperature: 1.300000 Total energy: -2176.552037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.552037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.552037 (E_RNA) where: Base-Base interactions energy: -1516.167 where: short stacking energy: -614.453 Base-Backbone interact. energy: -2.681 local terms energy: -657.704395 where: bonds (distance) C4'-P energy: -119.445 bonds (distance) P-C4' energy: -123.289 flat angles C4'-P-C4' energy: -133.510 flat angles P-C4'-P energy: -101.117 tors. eta vs tors. theta energy: -180.343 Dist. restrs. and SS energy: 0.000 (S_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: 429 Temperature: 1.350000 Total energy: -2095.192580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.192580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.192580 (E_RNA) where: Base-Base interactions energy: -1451.547 where: short stacking energy: -604.832 Base-Backbone interact. energy: 0.142 local terms energy: -643.788165 where: bonds (distance) C4'-P energy: -106.058 bonds (distance) P-C4' energy: -126.809 flat angles C4'-P-C4' energy: -132.616 flat angles P-C4'-P energy: -97.938 tors. eta vs tors. theta energy: -180.366 Dist. restrs. and SS energy: 0.000 (S_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: 430 Temperature: 0.900000 Total energy: -2714.635999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.635999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.635999 (E_RNA) where: Base-Base interactions energy: -1933.299 where: short stacking energy: -766.846 Base-Backbone interact. energy: -3.258 local terms energy: -778.078731 where: bonds (distance) C4'-P energy: -121.065 bonds (distance) P-C4' energy: -153.401 flat angles C4'-P-C4' energy: -168.240 flat angles P-C4'-P energy: -111.330 tors. eta vs tors. theta energy: -224.042 Dist. restrs. and SS energy: 0.000 (S_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: 430 Temperature: 0.950000 Total energy: -2660.893428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.893428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.893428 (E_RNA) where: Base-Base interactions energy: -1891.409 where: short stacking energy: -753.054 Base-Backbone interact. energy: -0.448 local terms energy: -769.037039 where: bonds (distance) C4'-P energy: -116.960 bonds (distance) P-C4' energy: -152.335 flat angles C4'-P-C4' energy: -162.966 flat angles P-C4'-P energy: -109.731 tors. eta vs tors. theta energy: -227.044 Dist. restrs. and SS energy: 0.000 (S_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: 430 Temperature: 1.000000 Total energy: -2630.200510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.200510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.200510 (E_RNA) where: Base-Base interactions energy: -1866.095 where: short stacking energy: -746.029 Base-Backbone interact. energy: -2.810 local terms energy: -761.295835 where: bonds (distance) C4'-P energy: -120.081 bonds (distance) P-C4' energy: -148.419 flat angles C4'-P-C4' energy: -155.147 flat angles P-C4'-P energy: -114.830 tors. eta vs tors. theta energy: -222.819 Dist. restrs. and SS energy: 0.000 (S_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: 430 Temperature: 1.050000 Total energy: -2504.717419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.717419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.717419 (E_RNA) where: Base-Base interactions energy: -1774.512 where: short stacking energy: -724.422 Base-Backbone interact. energy: -2.803 local terms energy: -727.402080 where: bonds (distance) C4'-P energy: -110.707 bonds (distance) P-C4' energy: -142.355 flat angles C4'-P-C4' energy: -158.707 flat angles P-C4'-P energy: -102.506 tors. eta vs tors. theta energy: -213.127 Dist. restrs. and SS energy: 0.000 (S_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: 430 Temperature: 1.100000 Total energy: -2478.279562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.279562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.279562 (E_RNA) where: Base-Base interactions energy: -1735.673 where: short stacking energy: -676.813 Base-Backbone interact. energy: -2.886 local terms energy: -739.719966 where: bonds (distance) C4'-P energy: -116.327 bonds (distance) P-C4' energy: -143.255 flat angles C4'-P-C4' energy: -148.288 flat angles P-C4'-P energy: -114.469 tors. eta vs tors. theta energy: -217.380 Dist. restrs. and SS energy: 0.000 (S_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: 430 Temperature: 1.150000 Total energy: -2446.947342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.947342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.947342 (E_RNA) where: Base-Base interactions energy: -1722.762 where: short stacking energy: -692.402 Base-Backbone interact. energy: -1.456 local terms energy: -722.728679 where: bonds (distance) C4'-P energy: -105.416 bonds (distance) P-C4' energy: -150.530 flat angles C4'-P-C4' energy: -146.584 flat angles P-C4'-P energy: -110.872 tors. eta vs tors. theta energy: -209.327 Dist. restrs. and SS energy: 0.000 (S_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: 430 Temperature: 1.200000 Total energy: -2344.081432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.081432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.081432 (E_RNA) where: Base-Base interactions energy: -1666.400 where: short stacking energy: -673.192 Base-Backbone interact. energy: 0.674 local terms energy: -678.355219 where: bonds (distance) C4'-P energy: -90.286 bonds (distance) P-C4' energy: -149.400 flat angles C4'-P-C4' energy: -148.931 flat angles P-C4'-P energy: -104.020 tors. eta vs tors. theta energy: -185.718 Dist. restrs. and SS energy: 0.000 (S_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: 430 Temperature: 1.250000 Total energy: -2290.068020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.068020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.068020 (E_RNA) where: Base-Base interactions energy: -1606.798 where: short stacking energy: -670.402 Base-Backbone interact. energy: -1.434 local terms energy: -681.835328 where: bonds (distance) C4'-P energy: -110.069 bonds (distance) P-C4' energy: -140.006 flat angles C4'-P-C4' energy: -139.077 flat angles P-C4'-P energy: -96.416 tors. eta vs tors. theta energy: -196.267 Dist. restrs. and SS energy: 0.000 (S_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: 430 Temperature: 1.300000 Total energy: -2093.871343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.871343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.871343 (E_RNA) where: Base-Base interactions energy: -1433.142 where: short stacking energy: -598.097 Base-Backbone interact. energy: -1.897 local terms energy: -658.832419 where: bonds (distance) C4'-P energy: -94.918 bonds (distance) P-C4' energy: -150.167 flat angles C4'-P-C4' energy: -143.899 flat angles P-C4'-P energy: -89.451 tors. eta vs tors. theta energy: -180.397 Dist. restrs. and SS energy: 0.000 (S_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: 430 Temperature: 1.350000 Total energy: -2146.084012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.084012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.084012 (E_RNA) where: Base-Base interactions energy: -1496.667 where: short stacking energy: -617.711 Base-Backbone interact. energy: -1.334 local terms energy: -648.082811 where: bonds (distance) C4'-P energy: -116.907 bonds (distance) P-C4' energy: -136.073 flat angles C4'-P-C4' energy: -138.054 flat angles P-C4'-P energy: -82.427 tors. eta vs tors. theta energy: -174.622 Dist. restrs. and SS energy: 0.000 (S_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: 431 Temperature: 0.900000 Total energy: -2707.875085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.875085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.875085 (E_RNA) where: Base-Base interactions energy: -1932.248 where: short stacking energy: -765.971 Base-Backbone interact. energy: 0.190 local terms energy: -775.816949 where: bonds (distance) C4'-P energy: -116.195 bonds (distance) P-C4' energy: -151.965 flat angles C4'-P-C4' energy: -166.166 flat angles P-C4'-P energy: -111.330 tors. eta vs tors. theta energy: -230.160 Dist. restrs. and SS energy: 0.000 (S_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: 431 Temperature: 0.950000 Total energy: -2660.317040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.317040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.317040 (E_RNA) where: Base-Base interactions energy: -1890.460 where: short stacking energy: -754.400 Base-Backbone interact. energy: -3.347 local terms energy: -766.510192 where: bonds (distance) C4'-P energy: -116.597 bonds (distance) P-C4' energy: -146.830 flat angles C4'-P-C4' energy: -159.770 flat angles P-C4'-P energy: -113.169 tors. eta vs tors. theta energy: -230.144 Dist. restrs. and SS energy: 0.000 (S_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: 431 Temperature: 1.000000 Total energy: -2624.378060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.378060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.378060 (E_RNA) where: Base-Base interactions energy: -1861.819 where: short stacking energy: -737.054 Base-Backbone interact. energy: -2.665 local terms energy: -759.893433 where: bonds (distance) C4'-P energy: -124.783 bonds (distance) P-C4' energy: -145.008 flat angles C4'-P-C4' energy: -160.959 flat angles P-C4'-P energy: -106.977 tors. eta vs tors. theta energy: -222.166 Dist. restrs. and SS energy: 0.000 (S_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: 431 Temperature: 1.050000 Total energy: -2521.032650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.032650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.032650 (E_RNA) where: Base-Base interactions energy: -1802.154 where: short stacking energy: -736.978 Base-Backbone interact. energy: -0.210 local terms energy: -718.668493 where: bonds (distance) C4'-P energy: -96.080 bonds (distance) P-C4' energy: -141.188 flat angles C4'-P-C4' energy: -157.863 flat angles P-C4'-P energy: -100.072 tors. eta vs tors. theta energy: -223.466 Dist. restrs. and SS energy: 0.000 (S_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: 431 Temperature: 1.100000 Total energy: -2521.900770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.900770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.900770 (E_RNA) where: Base-Base interactions energy: -1804.333 where: short stacking energy: -726.444 Base-Backbone interact. energy: -1.635 local terms energy: -715.933095 where: bonds (distance) C4'-P energy: -95.627 bonds (distance) P-C4' energy: -139.805 flat angles C4'-P-C4' energy: -156.076 flat angles P-C4'-P energy: -111.797 tors. eta vs tors. theta energy: -212.628 Dist. restrs. and SS energy: 0.000 (S_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: 431 Temperature: 1.150000 Total energy: -2421.208214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.208214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.208214 (E_RNA) where: Base-Base interactions energy: -1721.781 where: short stacking energy: -700.425 Base-Backbone interact. energy: -1.724 local terms energy: -697.702770 where: bonds (distance) C4'-P energy: -104.053 bonds (distance) P-C4' energy: -136.896 flat angles C4'-P-C4' energy: -146.291 flat angles P-C4'-P energy: -99.430 tors. eta vs tors. theta energy: -211.033 Dist. restrs. and SS energy: 0.000 (S_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: 431 Temperature: 1.200000 Total energy: -2313.416179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.416179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.416179 (E_RNA) where: Base-Base interactions energy: -1638.019 where: short stacking energy: -662.186 Base-Backbone interact. energy: 0.283 local terms energy: -675.680317 where: bonds (distance) C4'-P energy: -117.258 bonds (distance) P-C4' energy: -145.616 flat angles C4'-P-C4' energy: -149.807 flat angles P-C4'-P energy: -78.851 tors. eta vs tors. theta energy: -184.148 Dist. restrs. and SS energy: 0.000 (S_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: 431 Temperature: 1.250000 Total energy: -2280.757649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.757649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.757649 (E_RNA) where: Base-Base interactions energy: -1603.134 where: short stacking energy: -639.135 Base-Backbone interact. energy: 3.862 local terms energy: -681.486415 where: bonds (distance) C4'-P energy: -112.212 bonds (distance) P-C4' energy: -145.050 flat angles C4'-P-C4' energy: -143.966 flat angles P-C4'-P energy: -95.638 tors. eta vs tors. theta energy: -184.620 Dist. restrs. and SS energy: 0.000 (S_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: 431 Temperature: 1.300000 Total energy: -2083.702099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.702099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.702099 (E_RNA) where: Base-Base interactions energy: -1442.952 where: short stacking energy: -596.636 Base-Backbone interact. energy: -0.938 local terms energy: -639.812138 where: bonds (distance) C4'-P energy: -103.472 bonds (distance) P-C4' energy: -112.768 flat angles C4'-P-C4' energy: -143.759 flat angles P-C4'-P energy: -97.983 tors. eta vs tors. theta energy: -181.830 Dist. restrs. and SS energy: 0.000 (S_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: 431 Temperature: 1.350000 Total energy: -2130.728469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.728469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.728469 (E_RNA) where: Base-Base interactions energy: -1502.693 where: short stacking energy: -592.889 Base-Backbone interact. energy: -0.048 local terms energy: -627.987312 where: bonds (distance) C4'-P energy: -96.043 bonds (distance) P-C4' energy: -142.237 flat angles C4'-P-C4' energy: -123.697 flat angles P-C4'-P energy: -90.712 tors. eta vs tors. theta energy: -175.298 Dist. restrs. and SS energy: 0.000 (S_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: 432 Temperature: 0.900000 Total energy: -2710.942278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.942278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.942278 (E_RNA) where: Base-Base interactions energy: -1949.372 where: short stacking energy: -770.740 Base-Backbone interact. energy: 0.459 local terms energy: -762.028729 where: bonds (distance) C4'-P energy: -120.255 bonds (distance) P-C4' energy: -143.814 flat angles C4'-P-C4' energy: -160.261 flat angles P-C4'-P energy: -113.098 tors. eta vs tors. theta energy: -224.600 Dist. restrs. and SS energy: 0.000 (S_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: 432 Temperature: 0.950000 Total energy: -2642.112576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.112576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.112576 (E_RNA) where: Base-Base interactions energy: -1881.865 where: short stacking energy: -761.384 Base-Backbone interact. energy: -2.322 local terms energy: -757.926251 where: bonds (distance) C4'-P energy: -122.789 bonds (distance) P-C4' energy: -136.969 flat angles C4'-P-C4' energy: -159.589 flat angles P-C4'-P energy: -109.249 tors. eta vs tors. theta energy: -229.330 Dist. restrs. and SS energy: 0.000 (S_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: 432 Temperature: 1.000000 Total energy: -2628.700525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.700525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.700525 (E_RNA) where: Base-Base interactions energy: -1877.388 where: short stacking energy: -752.400 Base-Backbone interact. energy: -0.033 local terms energy: -751.279658 where: bonds (distance) C4'-P energy: -112.365 bonds (distance) P-C4' energy: -148.161 flat angles C4'-P-C4' energy: -154.562 flat angles P-C4'-P energy: -106.058 tors. eta vs tors. theta energy: -230.134 Dist. restrs. and SS energy: 0.000 (S_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: 432 Temperature: 1.050000 Total energy: -2529.040394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.040394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.040394 (E_RNA) where: Base-Base interactions energy: -1786.987 where: short stacking energy: -730.818 Base-Backbone interact. energy: -0.452 local terms energy: -741.600828 where: bonds (distance) C4'-P energy: -113.849 bonds (distance) P-C4' energy: -146.034 flat angles C4'-P-C4' energy: -154.230 flat angles P-C4'-P energy: -102.949 tors. eta vs tors. theta energy: -224.539 Dist. restrs. and SS energy: 0.000 (S_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: 432 Temperature: 1.100000 Total energy: -2506.359876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.359876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.359876 (E_RNA) where: Base-Base interactions energy: -1776.503 where: short stacking energy: -706.600 Base-Backbone interact. energy: -1.747 local terms energy: -728.109049 where: bonds (distance) C4'-P energy: -111.651 bonds (distance) P-C4' energy: -144.933 flat angles C4'-P-C4' energy: -153.665 flat angles P-C4'-P energy: -92.205 tors. eta vs tors. theta energy: -225.655 Dist. restrs. and SS energy: 0.000 (S_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: 432 Temperature: 1.150000 Total energy: -2452.656750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.656750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.656750 (E_RNA) where: Base-Base interactions energy: -1753.961 where: short stacking energy: -708.596 Base-Backbone interact. energy: 1.902 local terms energy: -700.597836 where: bonds (distance) C4'-P energy: -99.284 bonds (distance) P-C4' energy: -134.263 flat angles C4'-P-C4' energy: -161.120 flat angles P-C4'-P energy: -99.957 tors. eta vs tors. theta energy: -205.973 Dist. restrs. and SS energy: 0.000 (S_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: 432 Temperature: 1.200000 Total energy: -2320.557807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.557807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.557807 (E_RNA) where: Base-Base interactions energy: -1644.950 where: short stacking energy: -663.885 Base-Backbone interact. energy: 0.432 local terms energy: -676.040028 where: bonds (distance) C4'-P energy: -108.878 bonds (distance) P-C4' energy: -144.595 flat angles C4'-P-C4' energy: -140.872 flat angles P-C4'-P energy: -97.423 tors. eta vs tors. theta energy: -184.272 Dist. restrs. and SS energy: 0.000 (S_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: 432 Temperature: 1.250000 Total energy: -2282.948265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.948265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.948265 (E_RNA) where: Base-Base interactions energy: -1607.295 where: short stacking energy: -659.422 Base-Backbone interact. energy: -1.560 local terms energy: -674.093195 where: bonds (distance) C4'-P energy: -104.259 bonds (distance) P-C4' energy: -130.127 flat angles C4'-P-C4' energy: -137.752 flat angles P-C4'-P energy: -109.467 tors. eta vs tors. theta energy: -192.489 Dist. restrs. and SS energy: 0.000 (S_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: 432 Temperature: 1.300000 Total energy: -2169.371358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.371358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.371358 (E_RNA) where: Base-Base interactions energy: -1507.665 where: short stacking energy: -621.034 Base-Backbone interact. energy: -0.884 local terms energy: -660.822172 where: bonds (distance) C4'-P energy: -102.436 bonds (distance) P-C4' energy: -146.775 flat angles C4'-P-C4' energy: -142.140 flat angles P-C4'-P energy: -90.000 tors. eta vs tors. theta energy: -179.471 Dist. restrs. and SS energy: 0.000 (S_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: 432 Temperature: 1.350000 Total energy: -2063.673929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.673929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.673929 (E_RNA) where: Base-Base interactions energy: -1421.537 where: short stacking energy: -577.577 Base-Backbone interact. energy: -2.748 local terms energy: -639.389740 where: bonds (distance) C4'-P energy: -114.812 bonds (distance) P-C4' energy: -133.193 flat angles C4'-P-C4' energy: -133.799 flat angles P-C4'-P energy: -90.147 tors. eta vs tors. theta energy: -167.439 Dist. restrs. and SS energy: 0.000 (S_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: 433 Temperature: 0.900000 Total energy: -2702.792630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.792630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.792630 (E_RNA) where: Base-Base interactions energy: -1920.577 where: short stacking energy: -774.083 Base-Backbone interact. energy: -0.810 local terms energy: -781.405763 where: bonds (distance) C4'-P energy: -121.708 bonds (distance) P-C4' energy: -163.409 flat angles C4'-P-C4' energy: -152.043 flat angles P-C4'-P energy: -115.905 tors. eta vs tors. theta energy: -228.340 Dist. restrs. and SS energy: 0.000 (S_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: 433 Temperature: 0.950000 Total energy: -2665.785598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.785598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.785598 (E_RNA) where: Base-Base interactions energy: -1875.049 where: short stacking energy: -751.849 Base-Backbone interact. energy: -3.367 local terms energy: -787.369448 where: bonds (distance) C4'-P energy: -122.538 bonds (distance) P-C4' energy: -146.773 flat angles C4'-P-C4' energy: -172.695 flat angles P-C4'-P energy: -114.196 tors. eta vs tors. theta energy: -231.167 Dist. restrs. and SS energy: 0.000 (S_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: 433 Temperature: 1.000000 Total energy: -2622.517862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.517862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.517862 (E_RNA) where: Base-Base interactions energy: -1876.371 where: short stacking energy: -747.450 Base-Backbone interact. energy: 0.191 local terms energy: -746.337884 where: bonds (distance) C4'-P energy: -121.565 bonds (distance) P-C4' energy: -151.652 flat angles C4'-P-C4' energy: -154.103 flat angles P-C4'-P energy: -93.766 tors. eta vs tors. theta energy: -225.252 Dist. restrs. and SS energy: 0.000 (S_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: 433 Temperature: 1.050000 Total energy: -2547.883787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.883787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.883787 (E_RNA) where: Base-Base interactions energy: -1808.281 where: short stacking energy: -745.886 Base-Backbone interact. energy: -1.664 local terms energy: -737.939232 where: bonds (distance) C4'-P energy: -97.590 bonds (distance) P-C4' energy: -156.510 flat angles C4'-P-C4' energy: -153.140 flat angles P-C4'-P energy: -108.847 tors. eta vs tors. theta energy: -221.851 Dist. restrs. and SS energy: 0.000 (S_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: 433 Temperature: 1.100000 Total energy: -2505.497096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.497096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.497096 (E_RNA) where: Base-Base interactions energy: -1770.717 where: short stacking energy: -722.522 Base-Backbone interact. energy: -2.134 local terms energy: -732.645823 where: bonds (distance) C4'-P energy: -103.415 bonds (distance) P-C4' energy: -140.120 flat angles C4'-P-C4' energy: -160.372 flat angles P-C4'-P energy: -107.133 tors. eta vs tors. theta energy: -221.605 Dist. restrs. and SS energy: 0.000 (S_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: 433 Temperature: 1.150000 Total energy: -2416.606568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.606568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.606568 (E_RNA) where: Base-Base interactions energy: -1685.891 where: short stacking energy: -706.273 Base-Backbone interact. energy: 0.461 local terms energy: -731.176246 where: bonds (distance) C4'-P energy: -120.637 bonds (distance) P-C4' energy: -145.613 flat angles C4'-P-C4' energy: -156.870 flat angles P-C4'-P energy: -98.306 tors. eta vs tors. theta energy: -209.750 Dist. restrs. and SS energy: 0.000 (S_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: 433 Temperature: 1.200000 Total energy: -2309.309922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.309922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.309922 (E_RNA) where: Base-Base interactions energy: -1622.761 where: short stacking energy: -652.561 Base-Backbone interact. energy: -2.108 local terms energy: -684.440612 where: bonds (distance) C4'-P energy: -118.115 bonds (distance) P-C4' energy: -131.207 flat angles C4'-P-C4' energy: -137.539 flat angles P-C4'-P energy: -107.145 tors. eta vs tors. theta energy: -190.434 Dist. restrs. and SS energy: 0.000 (S_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: 433 Temperature: 1.250000 Total energy: -2283.261378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.261378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.261378 (E_RNA) where: Base-Base interactions energy: -1604.749 where: short stacking energy: -649.025 Base-Backbone interact. energy: -0.337 local terms energy: -678.175383 where: bonds (distance) C4'-P energy: -117.296 bonds (distance) P-C4' energy: -125.225 flat angles C4'-P-C4' energy: -141.811 flat angles P-C4'-P energy: -92.605 tors. eta vs tors. theta energy: -201.239 Dist. restrs. and SS energy: 0.000 (S_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: 433 Temperature: 1.300000 Total energy: -2182.680683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.680683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.680683 (E_RNA) where: Base-Base interactions energy: -1520.295 where: short stacking energy: -624.984 Base-Backbone interact. energy: -1.095 local terms energy: -661.290700 where: bonds (distance) C4'-P energy: -108.433 bonds (distance) P-C4' energy: -134.307 flat angles C4'-P-C4' energy: -137.393 flat angles P-C4'-P energy: -99.256 tors. eta vs tors. theta energy: -181.901 Dist. restrs. and SS energy: 0.000 (S_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: 433 Temperature: 1.350000 Total energy: -2109.642893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.642893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.642893 (E_RNA) where: Base-Base interactions energy: -1481.702 where: short stacking energy: -598.255 Base-Backbone interact. energy: -1.497 local terms energy: -626.443369 where: bonds (distance) C4'-P energy: -88.255 bonds (distance) P-C4' energy: -143.209 flat angles C4'-P-C4' energy: -138.756 flat angles P-C4'-P energy: -88.438 tors. eta vs tors. theta energy: -167.786 Dist. restrs. and SS energy: 0.000 (S_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: 434 Temperature: 0.900000 Total energy: -2717.327998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.327998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.327998 (E_RNA) where: Base-Base interactions energy: -1934.151 where: short stacking energy: -775.241 Base-Backbone interact. energy: -1.840 local terms energy: -781.336715 where: bonds (distance) C4'-P energy: -116.298 bonds (distance) P-C4' energy: -154.358 flat angles C4'-P-C4' energy: -163.134 flat angles P-C4'-P energy: -112.502 tors. eta vs tors. theta energy: -235.044 Dist. restrs. and SS energy: 0.000 (S_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: 434 Temperature: 0.950000 Total energy: -2659.508812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.508812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.508812 (E_RNA) where: Base-Base interactions energy: -1913.767 where: short stacking energy: -780.225 Base-Backbone interact. energy: -3.213 local terms energy: -742.528567 where: bonds (distance) C4'-P energy: -105.573 bonds (distance) P-C4' energy: -157.978 flat angles C4'-P-C4' energy: -157.189 flat angles P-C4'-P energy: -96.355 tors. eta vs tors. theta energy: -225.434 Dist. restrs. and SS energy: 0.000 (S_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: 434 Temperature: 1.000000 Total energy: -2593.077973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.077973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.077973 (E_RNA) where: Base-Base interactions energy: -1854.789 where: short stacking energy: -743.747 Base-Backbone interact. energy: -0.603 local terms energy: -737.685682 where: bonds (distance) C4'-P energy: -114.574 bonds (distance) P-C4' energy: -134.620 flat angles C4'-P-C4' energy: -152.308 flat angles P-C4'-P energy: -114.555 tors. eta vs tors. theta energy: -221.628 Dist. restrs. and SS energy: 0.000 (S_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: 434 Temperature: 1.050000 Total energy: -2580.838857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.838857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.838857 (E_RNA) where: Base-Base interactions energy: -1860.075 where: short stacking energy: -753.650 Base-Backbone interact. energy: -2.252 local terms energy: -718.512699 where: bonds (distance) C4'-P energy: -104.896 bonds (distance) P-C4' energy: -137.545 flat angles C4'-P-C4' energy: -150.524 flat angles P-C4'-P energy: -101.525 tors. eta vs tors. theta energy: -224.023 Dist. restrs. and SS energy: 0.000 (S_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: 434 Temperature: 1.100000 Total energy: -2504.042885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.042885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.042885 (E_RNA) where: Base-Base interactions energy: -1780.466 where: short stacking energy: -714.148 Base-Backbone interact. energy: -1.034 local terms energy: -722.542690 where: bonds (distance) C4'-P energy: -122.031 bonds (distance) P-C4' energy: -135.943 flat angles C4'-P-C4' energy: -147.749 flat angles P-C4'-P energy: -103.272 tors. eta vs tors. theta energy: -213.548 Dist. restrs. and SS energy: 0.000 (S_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: 434 Temperature: 1.150000 Total energy: -2395.682821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.682821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.682821 (E_RNA) where: Base-Base interactions energy: -1689.437 where: short stacking energy: -669.375 Base-Backbone interact. energy: -1.572 local terms energy: -704.674023 where: bonds (distance) C4'-P energy: -117.968 bonds (distance) P-C4' energy: -143.448 flat angles C4'-P-C4' energy: -143.737 flat angles P-C4'-P energy: -97.808 tors. eta vs tors. theta energy: -201.713 Dist. restrs. and SS energy: 0.000 (S_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: 434 Temperature: 1.200000 Total energy: -2332.193723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.193723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.193723 (E_RNA) where: Base-Base interactions energy: -1643.057 where: short stacking energy: -672.439 Base-Backbone interact. energy: -1.545 local terms energy: -687.591960 where: bonds (distance) C4'-P energy: -113.111 bonds (distance) P-C4' energy: -132.753 flat angles C4'-P-C4' energy: -146.517 flat angles P-C4'-P energy: -103.894 tors. eta vs tors. theta energy: -191.317 Dist. restrs. and SS energy: 0.000 (S_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: 434 Temperature: 1.250000 Total energy: -2290.700335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.700335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.700335 (E_RNA) where: Base-Base interactions energy: -1623.730 where: short stacking energy: -666.093 Base-Backbone interact. energy: 0.320 local terms energy: -667.290460 where: bonds (distance) C4'-P energy: -100.785 bonds (distance) P-C4' energy: -140.411 flat angles C4'-P-C4' energy: -140.448 flat angles P-C4'-P energy: -93.950 tors. eta vs tors. theta energy: -191.695 Dist. restrs. and SS energy: 0.000 (S_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: 434 Temperature: 1.300000 Total energy: -2153.873287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.873287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.873287 (E_RNA) where: Base-Base interactions energy: -1478.828 where: short stacking energy: -614.313 Base-Backbone interact. energy: 1.079 local terms energy: -676.123414 where: bonds (distance) C4'-P energy: -110.960 bonds (distance) P-C4' energy: -151.396 flat angles C4'-P-C4' energy: -139.966 flat angles P-C4'-P energy: -97.043 tors. eta vs tors. theta energy: -176.759 Dist. restrs. and SS energy: 0.000 (S_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: 434 Temperature: 1.350000 Total energy: -2100.440551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.440551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.440551 (E_RNA) where: Base-Base interactions energy: -1463.312 where: short stacking energy: -596.883 Base-Backbone interact. energy: -1.512 local terms energy: -635.616373 where: bonds (distance) C4'-P energy: -95.998 bonds (distance) P-C4' energy: -136.229 flat angles C4'-P-C4' energy: -139.495 flat angles P-C4'-P energy: -96.363 tors. eta vs tors. theta energy: -167.532 Dist. restrs. and SS energy: 0.000 (S_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: 435 Temperature: 0.900000 Total energy: -2700.127051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.127051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.127051 (E_RNA) where: Base-Base interactions energy: -1921.258 where: short stacking energy: -764.622 Base-Backbone interact. energy: -3.315 local terms energy: -775.554147 where: bonds (distance) C4'-P energy: -121.534 bonds (distance) P-C4' energy: -147.864 flat angles C4'-P-C4' energy: -162.171 flat angles P-C4'-P energy: -113.481 tors. eta vs tors. theta energy: -230.505 Dist. restrs. and SS energy: 0.000 (S_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: 435 Temperature: 0.950000 Total energy: -2636.393364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.393364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.393364 (E_RNA) where: Base-Base interactions energy: -1865.991 where: short stacking energy: -771.922 Base-Backbone interact. energy: -1.355 local terms energy: -769.047506 where: bonds (distance) C4'-P energy: -125.432 bonds (distance) P-C4' energy: -152.637 flat angles C4'-P-C4' energy: -155.521 flat angles P-C4'-P energy: -104.219 tors. eta vs tors. theta energy: -231.239 Dist. restrs. and SS energy: 0.000 (S_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: 435 Temperature: 1.000000 Total energy: -2631.575814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.575814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.575814 (E_RNA) where: Base-Base interactions energy: -1864.645 where: short stacking energy: -753.298 Base-Backbone interact. energy: 1.169 local terms energy: -768.100059 where: bonds (distance) C4'-P energy: -124.221 bonds (distance) P-C4' energy: -155.698 flat angles C4'-P-C4' energy: -148.980 flat angles P-C4'-P energy: -108.580 tors. eta vs tors. theta energy: -230.622 Dist. restrs. and SS energy: 0.000 (S_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: 435 Temperature: 1.050000 Total energy: -2582.030275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.030275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.030275 (E_RNA) where: Base-Base interactions energy: -1836.877 where: short stacking energy: -731.525 Base-Backbone interact. energy: 5.056 local terms energy: -750.209429 where: bonds (distance) C4'-P energy: -109.346 bonds (distance) P-C4' energy: -152.390 flat angles C4'-P-C4' energy: -154.501 flat angles P-C4'-P energy: -106.698 tors. eta vs tors. theta energy: -227.275 Dist. restrs. and SS energy: 0.000 (S_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: 435 Temperature: 1.100000 Total energy: -2506.205754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.205754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.205754 (E_RNA) where: Base-Base interactions energy: -1778.750 where: short stacking energy: -718.733 Base-Backbone interact. energy: -2.872 local terms energy: -724.583436 where: bonds (distance) C4'-P energy: -118.947 bonds (distance) P-C4' energy: -139.570 flat angles C4'-P-C4' energy: -157.477 flat angles P-C4'-P energy: -104.293 tors. eta vs tors. theta energy: -204.297 Dist. restrs. and SS energy: 0.000 (S_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: 435 Temperature: 1.150000 Total energy: -2388.548386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.548386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.548386 (E_RNA) where: Base-Base interactions energy: -1690.133 where: short stacking energy: -680.968 Base-Backbone interact. energy: -1.107 local terms energy: -697.309023 where: bonds (distance) C4'-P energy: -106.150 bonds (distance) P-C4' energy: -141.152 flat angles C4'-P-C4' energy: -143.630 flat angles P-C4'-P energy: -101.250 tors. eta vs tors. theta energy: -205.127 Dist. restrs. and SS energy: 0.000 (S_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: 435 Temperature: 1.200000 Total energy: -2323.409372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.409372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.409372 (E_RNA) where: Base-Base interactions energy: -1627.410 where: short stacking energy: -672.740 Base-Backbone interact. energy: 0.352 local terms energy: -696.351325 where: bonds (distance) C4'-P energy: -106.044 bonds (distance) P-C4' energy: -142.130 flat angles C4'-P-C4' energy: -150.438 flat angles P-C4'-P energy: -103.131 tors. eta vs tors. theta energy: -194.608 Dist. restrs. and SS energy: 0.000 (S_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: 435 Temperature: 1.250000 Total energy: -2292.803939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.803939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.803939 (E_RNA) where: Base-Base interactions energy: -1609.779 where: short stacking energy: -660.968 Base-Backbone interact. energy: -1.329 local terms energy: -681.695444 where: bonds (distance) C4'-P energy: -95.616 bonds (distance) P-C4' energy: -136.322 flat angles C4'-P-C4' energy: -151.102 flat angles P-C4'-P energy: -110.017 tors. eta vs tors. theta energy: -188.638 Dist. restrs. and SS energy: 0.000 (S_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: 435 Temperature: 1.300000 Total energy: -2222.677552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.677552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.677552 (E_RNA) where: Base-Base interactions energy: -1552.527 where: short stacking energy: -643.840 Base-Backbone interact. energy: -1.680 local terms energy: -668.471272 where: bonds (distance) C4'-P energy: -93.767 bonds (distance) P-C4' energy: -137.617 flat angles C4'-P-C4' energy: -149.061 flat angles P-C4'-P energy: -97.739 tors. eta vs tors. theta energy: -190.286 Dist. restrs. and SS energy: 0.000 (S_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: 435 Temperature: 1.350000 Total energy: -2055.262277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.262277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.262277 (E_RNA) where: Base-Base interactions energy: -1416.454 where: short stacking energy: -591.698 Base-Backbone interact. energy: -0.672 local terms energy: -638.136832 where: bonds (distance) C4'-P energy: -111.732 bonds (distance) P-C4' energy: -144.894 flat angles C4'-P-C4' energy: -132.573 flat angles P-C4'-P energy: -81.779 tors. eta vs tors. theta energy: -167.160 Dist. restrs. and SS energy: 0.000 (S_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: 436 Temperature: 0.900000 Total energy: -2715.983303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.983303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.983303 (E_RNA) where: Base-Base interactions energy: -1934.949 where: short stacking energy: -775.912 Base-Backbone interact. energy: -4.611 local terms energy: -776.422734 where: bonds (distance) C4'-P energy: -129.693 bonds (distance) P-C4' energy: -146.490 flat angles C4'-P-C4' energy: -164.512 flat angles P-C4'-P energy: -106.490 tors. eta vs tors. theta energy: -229.237 Dist. restrs. and SS energy: 0.000 (S_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: 436 Temperature: 0.950000 Total energy: -2617.481048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.481048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.481048 (E_RNA) where: Base-Base interactions energy: -1852.708 where: short stacking energy: -754.687 Base-Backbone interact. energy: -2.401 local terms energy: -762.372448 where: bonds (distance) C4'-P energy: -127.461 bonds (distance) P-C4' energy: -140.811 flat angles C4'-P-C4' energy: -159.620 flat angles P-C4'-P energy: -106.389 tors. eta vs tors. theta energy: -228.092 Dist. restrs. and SS energy: 0.000 (S_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: 436 Temperature: 1.000000 Total energy: -2637.107244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.107244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.107244 (E_RNA) where: Base-Base interactions energy: -1851.655 where: short stacking energy: -770.764 Base-Backbone interact. energy: 1.233 local terms energy: -786.684686 where: bonds (distance) C4'-P energy: -118.284 bonds (distance) P-C4' energy: -155.388 flat angles C4'-P-C4' energy: -169.231 flat angles P-C4'-P energy: -108.841 tors. eta vs tors. theta energy: -234.941 Dist. restrs. and SS energy: 0.000 (S_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: 436 Temperature: 1.050000 Total energy: -2582.099019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.099019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.099019 (E_RNA) where: Base-Base interactions energy: -1845.944 where: short stacking energy: -724.489 Base-Backbone interact. energy: 13.430 local terms energy: -749.585361 where: bonds (distance) C4'-P energy: -119.736 bonds (distance) P-C4' energy: -152.813 flat angles C4'-P-C4' energy: -155.572 flat angles P-C4'-P energy: -103.138 tors. eta vs tors. theta energy: -218.327 Dist. restrs. and SS energy: 0.000 (S_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: 436 Temperature: 1.100000 Total energy: -2456.385902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.385902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.385902 (E_RNA) where: Base-Base interactions energy: -1759.670 where: short stacking energy: -726.824 Base-Backbone interact. energy: -1.850 local terms energy: -694.866312 where: bonds (distance) C4'-P energy: -97.922 bonds (distance) P-C4' energy: -134.384 flat angles C4'-P-C4' energy: -145.835 flat angles P-C4'-P energy: -102.657 tors. eta vs tors. theta energy: -214.068 Dist. restrs. and SS energy: 0.000 (S_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: 436 Temperature: 1.150000 Total energy: -2413.460679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.460679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.460679 (E_RNA) where: Base-Base interactions energy: -1710.510 where: short stacking energy: -693.853 Base-Backbone interact. energy: -2.715 local terms energy: -700.236495 where: bonds (distance) C4'-P energy: -94.628 bonds (distance) P-C4' energy: -141.879 flat angles C4'-P-C4' energy: -145.506 flat angles P-C4'-P energy: -104.406 tors. eta vs tors. theta energy: -213.818 Dist. restrs. and SS energy: 0.000 (S_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: 436 Temperature: 1.200000 Total energy: -2337.575736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.575736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.575736 (E_RNA) where: Base-Base interactions energy: -1635.834 where: short stacking energy: -660.362 Base-Backbone interact. energy: -2.087 local terms energy: -699.655148 where: bonds (distance) C4'-P energy: -110.543 bonds (distance) P-C4' energy: -134.529 flat angles C4'-P-C4' energy: -148.388 flat angles P-C4'-P energy: -108.310 tors. eta vs tors. theta energy: -197.885 Dist. restrs. and SS energy: 0.000 (S_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: 436 Temperature: 1.250000 Total energy: -2350.322964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.322964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.322964 (E_RNA) where: Base-Base interactions energy: -1626.485 where: short stacking energy: -674.028 Base-Backbone interact. energy: 0.309 local terms energy: -724.146960 where: bonds (distance) C4'-P energy: -115.092 bonds (distance) P-C4' energy: -138.697 flat angles C4'-P-C4' energy: -162.200 flat angles P-C4'-P energy: -104.159 tors. eta vs tors. theta energy: -203.999 Dist. restrs. and SS energy: 0.000 (S_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: 436 Temperature: 1.300000 Total energy: -2188.873651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.873651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.873651 (E_RNA) where: Base-Base interactions energy: -1524.604 where: short stacking energy: -646.695 Base-Backbone interact. energy: -2.401 local terms energy: -661.868703 where: bonds (distance) C4'-P energy: -92.083 bonds (distance) P-C4' energy: -138.364 flat angles C4'-P-C4' energy: -141.282 flat angles P-C4'-P energy: -100.767 tors. eta vs tors. theta energy: -189.371 Dist. restrs. and SS energy: 0.000 (S_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: 436 Temperature: 1.350000 Total energy: -2015.130789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.130789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.130789 (E_RNA) where: Base-Base interactions energy: -1384.105 where: short stacking energy: -569.822 Base-Backbone interact. energy: 1.185 local terms energy: -632.210979 where: bonds (distance) C4'-P energy: -91.785 bonds (distance) P-C4' energy: -139.840 flat angles C4'-P-C4' energy: -145.947 flat angles P-C4'-P energy: -89.427 tors. eta vs tors. theta energy: -165.212 Dist. restrs. and SS energy: 0.000 (S_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: 437 Temperature: 0.900000 Total energy: -2704.880399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.880399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.880399 (E_RNA) where: Base-Base interactions energy: -1917.908 where: short stacking energy: -761.305 Base-Backbone interact. energy: -2.349 local terms energy: -784.623058 where: bonds (distance) C4'-P energy: -122.360 bonds (distance) P-C4' energy: -160.348 flat angles C4'-P-C4' energy: -164.827 flat angles P-C4'-P energy: -110.637 tors. eta vs tors. theta energy: -226.451 Dist. restrs. and SS energy: 0.000 (S_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: 437 Temperature: 0.950000 Total energy: -2672.493088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.493088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.493088 (E_RNA) where: Base-Base interactions energy: -1913.060 where: short stacking energy: -786.925 Base-Backbone interact. energy: 1.931 local terms energy: -761.364376 where: bonds (distance) C4'-P energy: -118.357 bonds (distance) P-C4' energy: -147.877 flat angles C4'-P-C4' energy: -154.911 flat angles P-C4'-P energy: -104.678 tors. eta vs tors. theta energy: -235.541 Dist. restrs. and SS energy: 0.000 (S_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: 437 Temperature: 1.000000 Total energy: -2614.055211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.055211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.055211 (E_RNA) where: Base-Base interactions energy: -1850.022 where: short stacking energy: -757.506 Base-Backbone interact. energy: -1.916 local terms energy: -762.116944 where: bonds (distance) C4'-P energy: -123.377 bonds (distance) P-C4' energy: -144.231 flat angles C4'-P-C4' energy: -155.950 flat angles P-C4'-P energy: -108.339 tors. eta vs tors. theta energy: -230.221 Dist. restrs. and SS energy: 0.000 (S_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: 437 Temperature: 1.050000 Total energy: -2612.964545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.964545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.964545 (E_RNA) where: Base-Base interactions energy: -1855.529 where: short stacking energy: -734.609 Base-Backbone interact. energy: 1.691 local terms energy: -759.126032 where: bonds (distance) C4'-P energy: -110.387 bonds (distance) P-C4' energy: -148.694 flat angles C4'-P-C4' energy: -157.073 flat angles P-C4'-P energy: -120.865 tors. eta vs tors. theta energy: -222.108 Dist. restrs. and SS energy: 0.000 (S_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: 437 Temperature: 1.100000 Total energy: -2439.906986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.906986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.906986 (E_RNA) where: Base-Base interactions energy: -1710.095 where: short stacking energy: -688.190 Base-Backbone interact. energy: -4.235 local terms energy: -725.576448 where: bonds (distance) C4'-P energy: -114.844 bonds (distance) P-C4' energy: -142.534 flat angles C4'-P-C4' energy: -159.718 flat angles P-C4'-P energy: -102.896 tors. eta vs tors. theta energy: -205.584 Dist. restrs. and SS energy: 0.000 (S_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: 437 Temperature: 1.150000 Total energy: -2429.009900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.009900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.009900 (E_RNA) where: Base-Base interactions energy: -1719.114 where: short stacking energy: -700.817 Base-Backbone interact. energy: -1.412 local terms energy: -708.483758 where: bonds (distance) C4'-P energy: -113.415 bonds (distance) P-C4' energy: -147.989 flat angles C4'-P-C4' energy: -142.164 flat angles P-C4'-P energy: -98.002 tors. eta vs tors. theta energy: -206.914 Dist. restrs. and SS energy: 0.000 (S_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: 437 Temperature: 1.200000 Total energy: -2291.669114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.669114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.669114 (E_RNA) where: Base-Base interactions energy: -1597.400 where: short stacking energy: -676.604 Base-Backbone interact. energy: -0.835 local terms energy: -693.433930 where: bonds (distance) C4'-P energy: -111.565 bonds (distance) P-C4' energy: -140.061 flat angles C4'-P-C4' energy: -146.047 flat angles P-C4'-P energy: -94.943 tors. eta vs tors. theta energy: -200.819 Dist. restrs. and SS energy: 0.000 (S_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: 437 Temperature: 1.250000 Total energy: -2320.317290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.317290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.317290 (E_RNA) where: Base-Base interactions energy: -1639.249 where: short stacking energy: -652.539 Base-Backbone interact. energy: -0.589 local terms energy: -680.479309 where: bonds (distance) C4'-P energy: -113.467 bonds (distance) P-C4' energy: -146.814 flat angles C4'-P-C4' energy: -138.536 flat angles P-C4'-P energy: -93.351 tors. eta vs tors. theta energy: -188.311 Dist. restrs. and SS energy: 0.000 (S_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: 437 Temperature: 1.300000 Total energy: -2179.107746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.107746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.107746 (E_RNA) where: Base-Base interactions energy: -1524.582 where: short stacking energy: -617.847 Base-Backbone interact. energy: 0.492 local terms energy: -655.018032 where: bonds (distance) C4'-P energy: -108.116 bonds (distance) P-C4' energy: -138.507 flat angles C4'-P-C4' energy: -133.339 flat angles P-C4'-P energy: -94.513 tors. eta vs tors. theta energy: -180.542 Dist. restrs. and SS energy: 0.000 (S_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: 437 Temperature: 1.350000 Total energy: -2058.707616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.707616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.707616 (E_RNA) where: Base-Base interactions energy: -1418.557 where: short stacking energy: -609.468 Base-Backbone interact. energy: -1.728 local terms energy: -638.423062 where: bonds (distance) C4'-P energy: -110.472 bonds (distance) P-C4' energy: -127.843 flat angles C4'-P-C4' energy: -136.395 flat angles P-C4'-P energy: -87.945 tors. eta vs tors. theta energy: -175.767 Dist. restrs. and SS energy: 0.000 (S_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: 438 Temperature: 0.900000 Total energy: -2714.997978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.997978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.997978 (E_RNA) where: Base-Base interactions energy: -1944.133 where: short stacking energy: -777.227 Base-Backbone interact. energy: -0.390 local terms energy: -770.474507 where: bonds (distance) C4'-P energy: -118.521 bonds (distance) P-C4' energy: -154.603 flat angles C4'-P-C4' energy: -158.248 flat angles P-C4'-P energy: -107.202 tors. eta vs tors. theta energy: -231.901 Dist. restrs. and SS energy: 0.000 (S_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: 438 Temperature: 0.950000 Total energy: -2675.132933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.132933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.132933 (E_RNA) where: Base-Base interactions energy: -1910.942 where: short stacking energy: -770.439 Base-Backbone interact. energy: -2.154 local terms energy: -762.036883 where: bonds (distance) C4'-P energy: -117.207 bonds (distance) P-C4' energy: -151.891 flat angles C4'-P-C4' energy: -162.617 flat angles P-C4'-P energy: -102.583 tors. eta vs tors. theta energy: -227.739 Dist. restrs. and SS energy: 0.000 (S_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: 438 Temperature: 1.000000 Total energy: -2608.509764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.509764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.509764 (E_RNA) where: Base-Base interactions energy: -1838.122 where: short stacking energy: -741.980 Base-Backbone interact. energy: -2.437 local terms energy: -767.950588 where: bonds (distance) C4'-P energy: -112.861 bonds (distance) P-C4' energy: -148.544 flat angles C4'-P-C4' energy: -162.065 flat angles P-C4'-P energy: -111.887 tors. eta vs tors. theta energy: -232.593 Dist. restrs. and SS energy: 0.000 (S_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: 438 Temperature: 1.050000 Total energy: -2590.626158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.626158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.626158 (E_RNA) where: Base-Base interactions energy: -1828.549 where: short stacking energy: -734.539 Base-Backbone interact. energy: -2.763 local terms energy: -759.314294 where: bonds (distance) C4'-P energy: -122.055 bonds (distance) P-C4' energy: -154.249 flat angles C4'-P-C4' energy: -148.380 flat angles P-C4'-P energy: -112.853 tors. eta vs tors. theta energy: -221.777 Dist. restrs. and SS energy: 0.000 (S_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: 438 Temperature: 1.100000 Total energy: -2476.134384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.134384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.134384 (E_RNA) where: Base-Base interactions energy: -1760.681 where: short stacking energy: -729.601 Base-Backbone interact. energy: -0.951 local terms energy: -714.502889 where: bonds (distance) C4'-P energy: -101.288 bonds (distance) P-C4' energy: -131.688 flat angles C4'-P-C4' energy: -159.525 flat angles P-C4'-P energy: -108.060 tors. eta vs tors. theta energy: -213.942 Dist. restrs. and SS energy: 0.000 (S_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: 438 Temperature: 1.150000 Total energy: -2389.570960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.570960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.570960 (E_RNA) where: Base-Base interactions energy: -1671.444 where: short stacking energy: -659.027 Base-Backbone interact. energy: -2.754 local terms energy: -715.372714 where: bonds (distance) C4'-P energy: -106.136 bonds (distance) P-C4' energy: -152.946 flat angles C4'-P-C4' energy: -156.475 flat angles P-C4'-P energy: -110.093 tors. eta vs tors. theta energy: -189.723 Dist. restrs. and SS energy: 0.000 (S_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: 438 Temperature: 1.200000 Total energy: -2320.062879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.062879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.062879 (E_RNA) where: Base-Base interactions energy: -1593.667 where: short stacking energy: -660.066 Base-Backbone interact. energy: -1.645 local terms energy: -724.751412 where: bonds (distance) C4'-P energy: -115.587 bonds (distance) P-C4' energy: -151.954 flat angles C4'-P-C4' energy: -152.568 flat angles P-C4'-P energy: -100.331 tors. eta vs tors. theta energy: -204.312 Dist. restrs. and SS energy: 0.000 (S_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: 438 Temperature: 1.250000 Total energy: -2285.439015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.439015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.439015 (E_RNA) where: Base-Base interactions energy: -1611.727 where: short stacking energy: -650.779 Base-Backbone interact. energy: -1.333 local terms energy: -672.378736 where: bonds (distance) C4'-P energy: -98.124 bonds (distance) P-C4' energy: -144.206 flat angles C4'-P-C4' energy: -144.702 flat angles P-C4'-P energy: -95.952 tors. eta vs tors. theta energy: -189.395 Dist. restrs. and SS energy: 0.000 (S_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: 438 Temperature: 1.300000 Total energy: -2203.700102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.700102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.700102 (E_RNA) where: Base-Base interactions energy: -1533.280 where: short stacking energy: -630.355 Base-Backbone interact. energy: 1.679 local terms energy: -672.098992 where: bonds (distance) C4'-P energy: -117.336 bonds (distance) P-C4' energy: -140.234 flat angles C4'-P-C4' energy: -140.476 flat angles P-C4'-P energy: -97.344 tors. eta vs tors. theta energy: -176.708 Dist. restrs. and SS energy: 0.000 (S_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: 438 Temperature: 1.350000 Total energy: -2036.307384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.307384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.307384 (E_RNA) where: Base-Base interactions energy: -1399.641 where: short stacking energy: -566.981 Base-Backbone interact. energy: -1.146 local terms energy: -635.520224 where: bonds (distance) C4'-P energy: -102.292 bonds (distance) P-C4' energy: -143.751 flat angles C4'-P-C4' energy: -139.252 flat angles P-C4'-P energy: -86.436 tors. eta vs tors. theta energy: -163.788 Dist. restrs. and SS energy: 0.000 (S_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: 439 Temperature: 0.900000 Total energy: -2705.193373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.193373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.193373 (E_RNA) where: Base-Base interactions energy: -1922.886 where: short stacking energy: -775.362 Base-Backbone interact. energy: -1.434 local terms energy: -780.873682 where: bonds (distance) C4'-P energy: -126.024 bonds (distance) P-C4' energy: -152.695 flat angles C4'-P-C4' energy: -159.346 flat angles P-C4'-P energy: -114.124 tors. eta vs tors. theta energy: -228.684 Dist. restrs. and SS energy: 0.000 (S_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: 439 Temperature: 0.950000 Total energy: -2683.495259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.495259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.495259 (E_RNA) where: Base-Base interactions energy: -1905.909 where: short stacking energy: -763.311 Base-Backbone interact. energy: -3.774 local terms energy: -773.812311 where: bonds (distance) C4'-P energy: -117.193 bonds (distance) P-C4' energy: -159.718 flat angles C4'-P-C4' energy: -162.884 flat angles P-C4'-P energy: -107.486 tors. eta vs tors. theta energy: -226.531 Dist. restrs. and SS energy: 0.000 (S_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: 439 Temperature: 1.000000 Total energy: -2613.803428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.803428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.803428 (E_RNA) where: Base-Base interactions energy: -1836.332 where: short stacking energy: -759.408 Base-Backbone interact. energy: -1.714 local terms energy: -775.757382 where: bonds (distance) C4'-P energy: -126.056 bonds (distance) P-C4' energy: -154.213 flat angles C4'-P-C4' energy: -157.911 flat angles P-C4'-P energy: -106.714 tors. eta vs tors. theta energy: -230.863 Dist. restrs. and SS energy: 0.000 (S_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: 439 Temperature: 1.050000 Total energy: -2592.974177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.974177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.974177 (E_RNA) where: Base-Base interactions energy: -1854.026 where: short stacking energy: -741.040 Base-Backbone interact. energy: -1.024 local terms energy: -737.924343 where: bonds (distance) C4'-P energy: -111.630 bonds (distance) P-C4' energy: -136.047 flat angles C4'-P-C4' energy: -164.561 flat angles P-C4'-P energy: -108.108 tors. eta vs tors. theta energy: -217.578 Dist. restrs. and SS energy: 0.000 (S_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: 439 Temperature: 1.100000 Total energy: -2487.269336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.269336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.269336 (E_RNA) where: Base-Base interactions energy: -1752.784 where: short stacking energy: -701.945 Base-Backbone interact. energy: -0.989 local terms energy: -733.496361 where: bonds (distance) C4'-P energy: -113.956 bonds (distance) P-C4' energy: -145.069 flat angles C4'-P-C4' energy: -152.268 flat angles P-C4'-P energy: -108.315 tors. eta vs tors. theta energy: -213.888 Dist. restrs. and SS energy: 0.000 (S_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: 439 Temperature: 1.150000 Total energy: -2385.616712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.616712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.616712 (E_RNA) where: Base-Base interactions energy: -1681.907 where: short stacking energy: -678.928 Base-Backbone interact. energy: -3.256 local terms energy: -700.454160 where: bonds (distance) C4'-P energy: -105.928 bonds (distance) P-C4' energy: -150.593 flat angles C4'-P-C4' energy: -145.852 flat angles P-C4'-P energy: -93.874 tors. eta vs tors. theta energy: -204.206 Dist. restrs. and SS energy: 0.000 (S_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: 439 Temperature: 1.200000 Total energy: -2291.199713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.199713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.199713 (E_RNA) where: Base-Base interactions energy: -1593.339 where: short stacking energy: -659.800 Base-Backbone interact. energy: 0.378 local terms energy: -698.239180 where: bonds (distance) C4'-P energy: -105.027 bonds (distance) P-C4' energy: -143.188 flat angles C4'-P-C4' energy: -145.879 flat angles P-C4'-P energy: -109.266 tors. eta vs tors. theta energy: -194.879 Dist. restrs. and SS energy: 0.000 (S_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: 439 Temperature: 1.250000 Total energy: -2282.203065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.203065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.203065 (E_RNA) where: Base-Base interactions energy: -1593.090 where: short stacking energy: -624.880 Base-Backbone interact. energy: -1.480 local terms energy: -687.633167 where: bonds (distance) C4'-P energy: -108.267 bonds (distance) P-C4' energy: -154.735 flat angles C4'-P-C4' energy: -143.306 flat angles P-C4'-P energy: -93.218 tors. eta vs tors. theta energy: -188.107 Dist. restrs. and SS energy: 0.000 (S_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: 439 Temperature: 1.300000 Total energy: -2222.714156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.714156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.714156 (E_RNA) where: Base-Base interactions energy: -1564.197 where: short stacking energy: -663.898 Base-Backbone interact. energy: -1.585 local terms energy: -656.931380 where: bonds (distance) C4'-P energy: -97.633 bonds (distance) P-C4' energy: -138.606 flat angles C4'-P-C4' energy: -132.630 flat angles P-C4'-P energy: -95.401 tors. eta vs tors. theta energy: -192.662 Dist. restrs. and SS energy: 0.000 (S_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: 439 Temperature: 1.350000 Total energy: -2058.366411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.366411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.366411 (E_RNA) where: Base-Base interactions energy: -1406.207 where: short stacking energy: -581.167 Base-Backbone interact. energy: 0.977 local terms energy: -653.136189 where: bonds (distance) C4'-P energy: -113.220 bonds (distance) P-C4' energy: -143.222 flat angles C4'-P-C4' energy: -139.639 flat angles P-C4'-P energy: -95.890 tors. eta vs tors. theta energy: -161.165 Dist. restrs. and SS energy: 0.000 (S_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: 440 Temperature: 0.900000 Total energy: -2719.660157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.660157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.660157 (E_RNA) where: Base-Base interactions energy: -1953.144 where: short stacking energy: -772.291 Base-Backbone interact. energy: 2.754 local terms energy: -769.270424 where: bonds (distance) C4'-P energy: -121.590 bonds (distance) P-C4' energy: -149.318 flat angles C4'-P-C4' energy: -157.623 flat angles P-C4'-P energy: -112.080 tors. eta vs tors. theta energy: -228.660 Dist. restrs. and SS energy: 0.000 (S_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: 440 Temperature: 0.950000 Total energy: -2673.855360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.855360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.855360 (E_RNA) where: Base-Base interactions energy: -1888.188 where: short stacking energy: -748.106 Base-Backbone interact. energy: -2.399 local terms energy: -783.267811 where: bonds (distance) C4'-P energy: -136.783 bonds (distance) P-C4' energy: -152.635 flat angles C4'-P-C4' energy: -158.700 flat angles P-C4'-P energy: -110.156 tors. eta vs tors. theta energy: -224.993 Dist. restrs. and SS energy: 0.000 (S_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: 440 Temperature: 1.000000 Total energy: -2611.503571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.503571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.503571 (E_RNA) where: Base-Base interactions energy: -1839.441 where: short stacking energy: -756.229 Base-Backbone interact. energy: -1.816 local terms energy: -770.246889 where: bonds (distance) C4'-P energy: -117.103 bonds (distance) P-C4' energy: -155.460 flat angles C4'-P-C4' energy: -159.772 flat angles P-C4'-P energy: -109.109 tors. eta vs tors. theta energy: -228.803 Dist. restrs. and SS energy: 0.000 (S_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: 440 Temperature: 1.050000 Total energy: -2573.914945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.914945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.914945 (E_RNA) where: Base-Base interactions energy: -1816.775 where: short stacking energy: -753.959 Base-Backbone interact. energy: -2.431 local terms energy: -754.709296 where: bonds (distance) C4'-P energy: -118.872 bonds (distance) P-C4' energy: -148.523 flat angles C4'-P-C4' energy: -157.946 flat angles P-C4'-P energy: -108.855 tors. eta vs tors. theta energy: -220.513 Dist. restrs. and SS energy: 0.000 (S_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: 440 Temperature: 1.100000 Total energy: -2479.626767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.626767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.626767 (E_RNA) where: Base-Base interactions energy: -1739.913 where: short stacking energy: -694.506 Base-Backbone interact. energy: -1.789 local terms energy: -737.924782 where: bonds (distance) C4'-P energy: -116.800 bonds (distance) P-C4' energy: -156.022 flat angles C4'-P-C4' energy: -146.481 flat angles P-C4'-P energy: -104.089 tors. eta vs tors. theta energy: -214.532 Dist. restrs. and SS energy: 0.000 (S_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: 440 Temperature: 1.150000 Total energy: -2435.732391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.732391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.732391 (E_RNA) where: Base-Base interactions energy: -1719.850 where: short stacking energy: -703.050 Base-Backbone interact. energy: 0.038 local terms energy: -715.920510 where: bonds (distance) C4'-P energy: -106.765 bonds (distance) P-C4' energy: -147.943 flat angles C4'-P-C4' energy: -153.204 flat angles P-C4'-P energy: -102.575 tors. eta vs tors. theta energy: -205.434 Dist. restrs. and SS energy: 0.000 (S_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: 440 Temperature: 1.200000 Total energy: -2313.454661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.454661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.454661 (E_RNA) where: Base-Base interactions energy: -1634.541 where: short stacking energy: -682.885 Base-Backbone interact. energy: -1.485 local terms energy: -677.428570 where: bonds (distance) C4'-P energy: -103.403 bonds (distance) P-C4' energy: -139.866 flat angles C4'-P-C4' energy: -139.394 flat angles P-C4'-P energy: -95.033 tors. eta vs tors. theta energy: -199.732 Dist. restrs. and SS energy: 0.000 (S_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: 440 Temperature: 1.250000 Total energy: -2321.223921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.223921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.223921 (E_RNA) where: Base-Base interactions energy: -1623.951 where: short stacking energy: -642.822 Base-Backbone interact. energy: -1.254 local terms energy: -696.019035 where: bonds (distance) C4'-P energy: -115.169 bonds (distance) P-C4' energy: -140.121 flat angles C4'-P-C4' energy: -149.958 flat angles P-C4'-P energy: -95.343 tors. eta vs tors. theta energy: -195.429 Dist. restrs. and SS energy: 0.000 (S_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: 440 Temperature: 1.300000 Total energy: -2218.854098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.854098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.854098 (E_RNA) where: Base-Base interactions energy: -1562.402 where: short stacking energy: -628.511 Base-Backbone interact. energy: -2.928 local terms energy: -653.524141 where: bonds (distance) C4'-P energy: -95.170 bonds (distance) P-C4' energy: -138.178 flat angles C4'-P-C4' energy: -134.470 flat angles P-C4'-P energy: -98.710 tors. eta vs tors. theta energy: -186.996 Dist. restrs. and SS energy: 0.000 (S_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: 440 Temperature: 1.350000 Total energy: -2021.190438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.190438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.190438 (E_RNA) where: Base-Base interactions energy: -1394.732 where: short stacking energy: -594.567 Base-Backbone interact. energy: 0.026 local terms energy: -626.483747 where: bonds (distance) C4'-P energy: -104.114 bonds (distance) P-C4' energy: -141.105 flat angles C4'-P-C4' energy: -126.662 flat angles P-C4'-P energy: -72.378 tors. eta vs tors. theta energy: -182.225 Dist. restrs. and SS energy: 0.000 (S_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: 441 Temperature: 0.900000 Total energy: -2715.909735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.909735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.909735 (E_RNA) where: Base-Base interactions energy: -1931.986 where: short stacking energy: -766.622 Base-Backbone interact. energy: -2.717 local terms energy: -781.206081 where: bonds (distance) C4'-P energy: -125.559 bonds (distance) P-C4' energy: -153.669 flat angles C4'-P-C4' energy: -155.908 flat angles P-C4'-P energy: -118.359 tors. eta vs tors. theta energy: -227.712 Dist. restrs. and SS energy: 0.000 (S_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: 441 Temperature: 0.950000 Total energy: -2682.773120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.773120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.773120 (E_RNA) where: Base-Base interactions energy: -1912.166 where: short stacking energy: -751.597 Base-Backbone interact. energy: -3.719 local terms energy: -766.887788 where: bonds (distance) C4'-P energy: -116.870 bonds (distance) P-C4' energy: -161.919 flat angles C4'-P-C4' energy: -153.380 flat angles P-C4'-P energy: -105.600 tors. eta vs tors. theta energy: -229.118 Dist. restrs. and SS energy: 0.000 (S_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: 441 Temperature: 1.000000 Total energy: -2607.220835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.220835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.220835 (E_RNA) where: Base-Base interactions energy: -1848.464 where: short stacking energy: -738.970 Base-Backbone interact. energy: -1.973 local terms energy: -756.784349 where: bonds (distance) C4'-P energy: -125.646 bonds (distance) P-C4' energy: -142.054 flat angles C4'-P-C4' energy: -160.017 flat angles P-C4'-P energy: -113.083 tors. eta vs tors. theta energy: -215.984 Dist. restrs. and SS energy: 0.000 (S_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: 441 Temperature: 1.050000 Total energy: -2557.328016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.328016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.328016 (E_RNA) where: Base-Base interactions energy: -1821.342 where: short stacking energy: -732.392 Base-Backbone interact. energy: -1.043 local terms energy: -734.942987 where: bonds (distance) C4'-P energy: -107.727 bonds (distance) P-C4' energy: -141.833 flat angles C4'-P-C4' energy: -160.531 flat angles P-C4'-P energy: -109.715 tors. eta vs tors. theta energy: -215.137 Dist. restrs. and SS energy: 0.000 (S_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: 441 Temperature: 1.100000 Total energy: -2474.198981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.198981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.198981 (E_RNA) where: Base-Base interactions energy: -1753.078 where: short stacking energy: -716.054 Base-Backbone interact. energy: -2.082 local terms energy: -719.039550 where: bonds (distance) C4'-P energy: -108.183 bonds (distance) P-C4' energy: -129.585 flat angles C4'-P-C4' energy: -154.223 flat angles P-C4'-P energy: -105.080 tors. eta vs tors. theta energy: -221.968 Dist. restrs. and SS energy: 0.000 (S_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: 441 Temperature: 1.150000 Total energy: -2429.156919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.156919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.156919 (E_RNA) where: Base-Base interactions energy: -1706.761 where: short stacking energy: -681.364 Base-Backbone interact. energy: -1.322 local terms energy: -721.074491 where: bonds (distance) C4'-P energy: -120.586 bonds (distance) P-C4' energy: -149.287 flat angles C4'-P-C4' energy: -143.319 flat angles P-C4'-P energy: -107.887 tors. eta vs tors. theta energy: -199.995 Dist. restrs. and SS energy: 0.000 (S_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: 441 Temperature: 1.200000 Total energy: -2339.735591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.735591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.735591 (E_RNA) where: Base-Base interactions energy: -1635.680 where: short stacking energy: -679.109 Base-Backbone interact. energy: -2.170 local terms energy: -701.885879 where: bonds (distance) C4'-P energy: -116.643 bonds (distance) P-C4' energy: -142.562 flat angles C4'-P-C4' energy: -150.612 flat angles P-C4'-P energy: -90.690 tors. eta vs tors. theta energy: -201.379 Dist. restrs. and SS energy: 0.000 (S_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: 441 Temperature: 1.250000 Total energy: -2351.311919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.311919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.311919 (E_RNA) where: Base-Base interactions energy: -1667.434 where: short stacking energy: -668.612 Base-Backbone interact. energy: -2.012 local terms energy: -681.865973 where: bonds (distance) C4'-P energy: -116.275 bonds (distance) P-C4' energy: -134.755 flat angles C4'-P-C4' energy: -137.328 flat angles P-C4'-P energy: -99.234 tors. eta vs tors. theta energy: -194.274 Dist. restrs. and SS energy: 0.000 (S_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: 441 Temperature: 1.300000 Total energy: -2191.554879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.554879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.554879 (E_RNA) where: Base-Base interactions energy: -1520.253 where: short stacking energy: -610.006 Base-Backbone interact. energy: 0.038 local terms energy: -671.340065 where: bonds (distance) C4'-P energy: -105.210 bonds (distance) P-C4' energy: -145.160 flat angles C4'-P-C4' energy: -151.986 flat angles P-C4'-P energy: -89.469 tors. eta vs tors. theta energy: -179.514 Dist. restrs. and SS energy: 0.000 (S_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: 441 Temperature: 1.350000 Total energy: -2054.556386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.556386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.556386 (E_RNA) where: Base-Base interactions energy: -1413.012 where: short stacking energy: -583.042 Base-Backbone interact. energy: -2.375 local terms energy: -639.169793 where: bonds (distance) C4'-P energy: -96.652 bonds (distance) P-C4' energy: -139.986 flat angles C4'-P-C4' energy: -143.254 flat angles P-C4'-P energy: -93.571 tors. eta vs tors. theta energy: -165.707 Dist. restrs. and SS energy: 0.000 (S_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: 442 Temperature: 0.900000 Total energy: -2712.878094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.878094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.878094 (E_RNA) where: Base-Base interactions energy: -1928.082 where: short stacking energy: -752.791 Base-Backbone interact. energy: -2.116 local terms energy: -782.680129 where: bonds (distance) C4'-P energy: -122.036 bonds (distance) P-C4' energy: -153.466 flat angles C4'-P-C4' energy: -164.401 flat angles P-C4'-P energy: -114.637 tors. eta vs tors. theta energy: -228.140 Dist. restrs. and SS energy: 0.000 (S_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: 442 Temperature: 0.950000 Total energy: -2685.352886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.352886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.352886 (E_RNA) where: Base-Base interactions energy: -1895.521 where: short stacking energy: -743.918 Base-Backbone interact. energy: -2.083 local terms energy: -787.749105 where: bonds (distance) C4'-P energy: -122.773 bonds (distance) P-C4' energy: -159.516 flat angles C4'-P-C4' energy: -166.109 flat angles P-C4'-P energy: -118.576 tors. eta vs tors. theta energy: -220.776 Dist. restrs. and SS energy: 0.000 (S_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: 442 Temperature: 1.000000 Total energy: -2612.387978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.387978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.387978 (E_RNA) where: Base-Base interactions energy: -1829.803 where: short stacking energy: -735.425 Base-Backbone interact. energy: -1.431 local terms energy: -781.153880 where: bonds (distance) C4'-P energy: -115.113 bonds (distance) P-C4' energy: -159.786 flat angles C4'-P-C4' energy: -164.447 flat angles P-C4'-P energy: -116.820 tors. eta vs tors. theta energy: -224.988 Dist. restrs. and SS energy: 0.000 (S_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: 442 Temperature: 1.050000 Total energy: -2532.298266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.298266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.298266 (E_RNA) where: Base-Base interactions energy: -1798.924 where: short stacking energy: -711.112 Base-Backbone interact. energy: -1.590 local terms energy: -731.784270 where: bonds (distance) C4'-P energy: -112.778 bonds (distance) P-C4' energy: -154.254 flat angles C4'-P-C4' energy: -147.232 flat angles P-C4'-P energy: -103.168 tors. eta vs tors. theta energy: -214.352 Dist. restrs. and SS energy: 0.000 (S_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: 442 Temperature: 1.100000 Total energy: -2510.714408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.714408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.714408 (E_RNA) where: Base-Base interactions energy: -1778.073 where: short stacking energy: -726.042 Base-Backbone interact. energy: -0.526 local terms energy: -732.115717 where: bonds (distance) C4'-P energy: -114.596 bonds (distance) P-C4' energy: -154.690 flat angles C4'-P-C4' energy: -148.104 flat angles P-C4'-P energy: -104.546 tors. eta vs tors. theta energy: -210.180 Dist. restrs. and SS energy: 0.000 (S_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: 442 Temperature: 1.150000 Total energy: -2441.570296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.570296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.570296 (E_RNA) where: Base-Base interactions energy: -1727.775 where: short stacking energy: -698.442 Base-Backbone interact. energy: -3.046 local terms energy: -710.749607 where: bonds (distance) C4'-P energy: -109.500 bonds (distance) P-C4' energy: -148.496 flat angles C4'-P-C4' energy: -145.322 flat angles P-C4'-P energy: -105.185 tors. eta vs tors. theta energy: -202.247 Dist. restrs. and SS energy: 0.000 (S_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: 442 Temperature: 1.200000 Total energy: -2389.766532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.766532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.766532 (E_RNA) where: Base-Base interactions energy: -1678.658 where: short stacking energy: -673.154 Base-Backbone interact. energy: -1.371 local terms energy: -709.737354 where: bonds (distance) C4'-P energy: -113.065 bonds (distance) P-C4' energy: -138.671 flat angles C4'-P-C4' energy: -151.294 flat angles P-C4'-P energy: -107.269 tors. eta vs tors. theta energy: -199.438 Dist. restrs. and SS energy: 0.000 (S_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: 442 Temperature: 1.250000 Total energy: -2323.856764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.856764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.856764 (E_RNA) where: Base-Base interactions energy: -1636.964 where: short stacking energy: -684.250 Base-Backbone interact. energy: -0.183 local terms energy: -686.709958 where: bonds (distance) C4'-P energy: -101.599 bonds (distance) P-C4' energy: -144.866 flat angles C4'-P-C4' energy: -141.565 flat angles P-C4'-P energy: -95.298 tors. eta vs tors. theta energy: -203.382 Dist. restrs. and SS energy: 0.000 (S_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: 442 Temperature: 1.300000 Total energy: -2208.731703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.731703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.731703 (E_RNA) where: Base-Base interactions energy: -1536.415 where: short stacking energy: -632.677 Base-Backbone interact. energy: -1.630 local terms energy: -670.686519 where: bonds (distance) C4'-P energy: -111.726 bonds (distance) P-C4' energy: -134.360 flat angles C4'-P-C4' energy: -148.381 flat angles P-C4'-P energy: -89.448 tors. eta vs tors. theta energy: -186.771 Dist. restrs. and SS energy: 0.000 (S_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: 442 Temperature: 1.350000 Total energy: -2061.855094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.855094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.855094 (E_RNA) where: Base-Base interactions energy: -1426.778 where: short stacking energy: -600.969 Base-Backbone interact. energy: -1.983 local terms energy: -633.094572 where: bonds (distance) C4'-P energy: -102.062 bonds (distance) P-C4' energy: -139.298 flat angles C4'-P-C4' energy: -131.932 flat angles P-C4'-P energy: -100.919 tors. eta vs tors. theta energy: -158.883 Dist. restrs. and SS energy: 0.000 (S_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: 443 Temperature: 0.900000 Total energy: -2708.754775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.754775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.754775 (E_RNA) where: Base-Base interactions energy: -1915.039 where: short stacking energy: -761.340 Base-Backbone interact. energy: -2.213 local terms energy: -791.502427 where: bonds (distance) C4'-P energy: -129.624 bonds (distance) P-C4' energy: -154.825 flat angles C4'-P-C4' energy: -161.406 flat angles P-C4'-P energy: -116.776 tors. eta vs tors. theta energy: -228.871 Dist. restrs. and SS energy: 0.000 (S_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: 443 Temperature: 0.950000 Total energy: -2703.155324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.155324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.155324 (E_RNA) where: Base-Base interactions energy: -1938.835 where: short stacking energy: -769.362 Base-Backbone interact. energy: -2.010 local terms energy: -762.310782 where: bonds (distance) C4'-P energy: -114.127 bonds (distance) P-C4' energy: -157.157 flat angles C4'-P-C4' energy: -158.719 flat angles P-C4'-P energy: -104.304 tors. eta vs tors. theta energy: -228.004 Dist. restrs. and SS energy: 0.000 (S_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: 443 Temperature: 1.000000 Total energy: -2619.848041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.848041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.848041 (E_RNA) where: Base-Base interactions energy: -1843.304 where: short stacking energy: -744.836 Base-Backbone interact. energy: -2.247 local terms energy: -774.296916 where: bonds (distance) C4'-P energy: -120.031 bonds (distance) P-C4' energy: -152.649 flat angles C4'-P-C4' energy: -165.183 flat angles P-C4'-P energy: -113.808 tors. eta vs tors. theta energy: -222.626 Dist. restrs. and SS energy: 0.000 (S_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: 443 Temperature: 1.050000 Total energy: -2555.157793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.157793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.157793 (E_RNA) where: Base-Base interactions energy: -1816.580 where: short stacking energy: -712.473 Base-Backbone interact. energy: -2.310 local terms energy: -736.268275 where: bonds (distance) C4'-P energy: -105.438 bonds (distance) P-C4' energy: -151.926 flat angles C4'-P-C4' energy: -158.132 flat angles P-C4'-P energy: -101.257 tors. eta vs tors. theta energy: -219.516 Dist. restrs. and SS energy: 0.000 (S_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: 443 Temperature: 1.100000 Total energy: -2492.495916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.495916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.495916 (E_RNA) where: Base-Base interactions energy: -1762.592 where: short stacking energy: -709.732 Base-Backbone interact. energy: -0.364 local terms energy: -729.539835 where: bonds (distance) C4'-P energy: -114.660 bonds (distance) P-C4' energy: -147.435 flat angles C4'-P-C4' energy: -151.000 flat angles P-C4'-P energy: -102.929 tors. eta vs tors. theta energy: -213.517 Dist. restrs. and SS energy: 0.000 (S_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: 443 Temperature: 1.150000 Total energy: -2441.647989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.647989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.647989 (E_RNA) where: Base-Base interactions energy: -1731.800 where: short stacking energy: -705.605 Base-Backbone interact. energy: -0.581 local terms energy: -709.266410 where: bonds (distance) C4'-P energy: -107.196 bonds (distance) P-C4' energy: -133.299 flat angles C4'-P-C4' energy: -149.375 flat angles P-C4'-P energy: -102.613 tors. eta vs tors. theta energy: -216.784 Dist. restrs. and SS energy: 0.000 (S_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: 443 Temperature: 1.200000 Total energy: -2405.688427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.688427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.688427 (E_RNA) where: Base-Base interactions energy: -1711.516 where: short stacking energy: -684.672 Base-Backbone interact. energy: -3.893 local terms energy: -690.279057 where: bonds (distance) C4'-P energy: -99.206 bonds (distance) P-C4' energy: -135.248 flat angles C4'-P-C4' energy: -153.069 flat angles P-C4'-P energy: -102.936 tors. eta vs tors. theta energy: -199.819 Dist. restrs. and SS energy: 0.000 (S_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: 443 Temperature: 1.250000 Total energy: -2253.530011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.530011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.530011 (E_RNA) where: Base-Base interactions energy: -1578.171 where: short stacking energy: -647.331 Base-Backbone interact. energy: -1.594 local terms energy: -673.765122 where: bonds (distance) C4'-P energy: -106.937 bonds (distance) P-C4' energy: -137.619 flat angles C4'-P-C4' energy: -148.459 flat angles P-C4'-P energy: -97.799 tors. eta vs tors. theta energy: -182.951 Dist. restrs. and SS energy: 0.000 (S_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: 443 Temperature: 1.300000 Total energy: -2290.690453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.690453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.690453 (E_RNA) where: Base-Base interactions energy: -1599.499 where: short stacking energy: -662.796 Base-Backbone interact. energy: -1.456 local terms energy: -689.735458 where: bonds (distance) C4'-P energy: -98.870 bonds (distance) P-C4' energy: -136.484 flat angles C4'-P-C4' energy: -156.545 flat angles P-C4'-P energy: -95.755 tors. eta vs tors. theta energy: -202.082 Dist. restrs. and SS energy: 0.000 (S_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: 443 Temperature: 1.350000 Total energy: -2012.574672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.574672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.574672 (E_RNA) where: Base-Base interactions energy: -1391.216 where: short stacking energy: -571.921 Base-Backbone interact. energy: -0.529 local terms energy: -620.829636 where: bonds (distance) C4'-P energy: -105.297 bonds (distance) P-C4' energy: -137.257 flat angles C4'-P-C4' energy: -146.613 flat angles P-C4'-P energy: -78.906 tors. eta vs tors. theta energy: -152.757 Dist. restrs. and SS energy: 0.000 (S_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: 444 Temperature: 0.900000 Total energy: -2708.690428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.690428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.690428 (E_RNA) where: Base-Base interactions energy: -1921.329 where: short stacking energy: -755.617 Base-Backbone interact. energy: -0.899 local terms energy: -786.461577 where: bonds (distance) C4'-P energy: -127.909 bonds (distance) P-C4' energy: -162.959 flat angles C4'-P-C4' energy: -162.680 flat angles P-C4'-P energy: -108.944 tors. eta vs tors. theta energy: -223.970 Dist. restrs. and SS energy: 0.000 (S_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: 444 Temperature: 0.950000 Total energy: -2697.937281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.937281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.937281 (E_RNA) where: Base-Base interactions energy: -1933.369 where: short stacking energy: -760.193 Base-Backbone interact. energy: -1.197 local terms energy: -763.371416 where: bonds (distance) C4'-P energy: -121.042 bonds (distance) P-C4' energy: -148.738 flat angles C4'-P-C4' energy: -160.070 flat angles P-C4'-P energy: -105.706 tors. eta vs tors. theta energy: -227.816 Dist. restrs. and SS energy: 0.000 (S_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: 444 Temperature: 1.000000 Total energy: -2627.473135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.473135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.473135 (E_RNA) where: Base-Base interactions energy: -1865.170 where: short stacking energy: -759.056 Base-Backbone interact. energy: -2.067 local terms energy: -760.236093 where: bonds (distance) C4'-P energy: -112.399 bonds (distance) P-C4' energy: -151.005 flat angles C4'-P-C4' energy: -159.370 flat angles P-C4'-P energy: -107.586 tors. eta vs tors. theta energy: -229.877 Dist. restrs. and SS energy: 0.000 (S_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: 444 Temperature: 1.050000 Total energy: -2545.655811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.655811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.655811 (E_RNA) where: Base-Base interactions energy: -1818.576 where: short stacking energy: -715.041 Base-Backbone interact. energy: -2.878 local terms energy: -724.201212 where: bonds (distance) C4'-P energy: -115.305 bonds (distance) P-C4' energy: -144.561 flat angles C4'-P-C4' energy: -148.458 flat angles P-C4'-P energy: -101.838 tors. eta vs tors. theta energy: -214.038 Dist. restrs. and SS energy: 0.000 (S_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: 444 Temperature: 1.100000 Total energy: -2450.265454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.265454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.265454 (E_RNA) where: Base-Base interactions energy: -1716.657 where: short stacking energy: -695.463 Base-Backbone interact. energy: -1.099 local terms energy: -732.509347 where: bonds (distance) C4'-P energy: -118.774 bonds (distance) P-C4' energy: -149.894 flat angles C4'-P-C4' energy: -149.941 flat angles P-C4'-P energy: -101.202 tors. eta vs tors. theta energy: -212.699 Dist. restrs. and SS energy: 0.000 (S_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: 444 Temperature: 1.150000 Total energy: -2452.363887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.363887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.363887 (E_RNA) where: Base-Base interactions energy: -1716.081 where: short stacking energy: -699.404 Base-Backbone interact. energy: -1.347 local terms energy: -734.936085 where: bonds (distance) C4'-P energy: -116.323 bonds (distance) P-C4' energy: -151.200 flat angles C4'-P-C4' energy: -151.843 flat angles P-C4'-P energy: -107.306 tors. eta vs tors. theta energy: -208.264 Dist. restrs. and SS energy: 0.000 (S_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: 444 Temperature: 1.200000 Total energy: -2369.156651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.156651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.156651 (E_RNA) where: Base-Base interactions energy: -1690.022 where: short stacking energy: -691.480 Base-Backbone interact. energy: 0.756 local terms energy: -679.890095 where: bonds (distance) C4'-P energy: -114.556 bonds (distance) P-C4' energy: -143.296 flat angles C4'-P-C4' energy: -146.593 flat angles P-C4'-P energy: -85.246 tors. eta vs tors. theta energy: -190.198 Dist. restrs. and SS energy: 0.000 (S_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: 444 Temperature: 1.250000 Total energy: -2237.214575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.214575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.214575 (E_RNA) where: Base-Base interactions energy: -1575.919 where: short stacking energy: -657.944 Base-Backbone interact. energy: 0.488 local terms energy: -661.783916 where: bonds (distance) C4'-P energy: -114.695 bonds (distance) P-C4' energy: -124.236 flat angles C4'-P-C4' energy: -140.372 flat angles P-C4'-P energy: -95.799 tors. eta vs tors. theta energy: -186.682 Dist. restrs. and SS energy: 0.000 (S_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: 444 Temperature: 1.300000 Total energy: -2268.984091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.984091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.984091 (E_RNA) where: Base-Base interactions energy: -1585.128 where: short stacking energy: -657.680 Base-Backbone interact. energy: -0.658 local terms energy: -683.197772 where: bonds (distance) C4'-P energy: -105.164 bonds (distance) P-C4' energy: -147.624 flat angles C4'-P-C4' energy: -144.845 flat angles P-C4'-P energy: -93.707 tors. eta vs tors. theta energy: -191.859 Dist. restrs. and SS energy: 0.000 (S_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: 444 Temperature: 1.350000 Total energy: -2015.690327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.690327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.690327 (E_RNA) where: Base-Base interactions energy: -1386.125 where: short stacking energy: -580.811 Base-Backbone interact. energy: -1.354 local terms energy: -628.210891 where: bonds (distance) C4'-P energy: -102.777 bonds (distance) P-C4' energy: -128.414 flat angles C4'-P-C4' energy: -143.673 flat angles P-C4'-P energy: -96.814 tors. eta vs tors. theta energy: -156.533 Dist. restrs. and SS energy: 0.000 (S_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: 445 Temperature: 0.900000 Total energy: -2714.458916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.458916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.458916 (E_RNA) where: Base-Base interactions energy: -1937.656 where: short stacking energy: -760.907 Base-Backbone interact. energy: -0.855 local terms energy: -775.948470 where: bonds (distance) C4'-P energy: -123.173 bonds (distance) P-C4' energy: -160.966 flat angles C4'-P-C4' energy: -158.786 flat angles P-C4'-P energy: -106.333 tors. eta vs tors. theta energy: -226.690 Dist. restrs. and SS energy: 0.000 (S_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: 445 Temperature: 0.950000 Total energy: -2675.491108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.491108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.491108 (E_RNA) where: Base-Base interactions energy: -1915.330 where: short stacking energy: -760.459 Base-Backbone interact. energy: -1.482 local terms energy: -758.679040 where: bonds (distance) C4'-P energy: -122.211 bonds (distance) P-C4' energy: -143.914 flat angles C4'-P-C4' energy: -161.130 flat angles P-C4'-P energy: -110.724 tors. eta vs tors. theta energy: -220.700 Dist. restrs. and SS energy: 0.000 (S_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: 445 Temperature: 1.000000 Total energy: -2642.144827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.144827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.144827 (E_RNA) where: Base-Base interactions energy: -1884.775 where: short stacking energy: -755.501 Base-Backbone interact. energy: -3.054 local terms energy: -754.316111 where: bonds (distance) C4'-P energy: -118.527 bonds (distance) P-C4' energy: -145.870 flat angles C4'-P-C4' energy: -158.260 flat angles P-C4'-P energy: -107.579 tors. eta vs tors. theta energy: -224.080 Dist. restrs. and SS energy: 0.000 (S_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: 445 Temperature: 1.050000 Total energy: -2553.252900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.252900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.252900 (E_RNA) where: Base-Base interactions energy: -1823.372 where: short stacking energy: -732.506 Base-Backbone interact. energy: -0.718 local terms energy: -729.162611 where: bonds (distance) C4'-P energy: -110.617 bonds (distance) P-C4' energy: -144.354 flat angles C4'-P-C4' energy: -158.476 flat angles P-C4'-P energy: -99.280 tors. eta vs tors. theta energy: -216.436 Dist. restrs. and SS energy: 0.000 (S_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: 445 Temperature: 1.100000 Total energy: -2467.993553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.993553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.993553 (E_RNA) where: Base-Base interactions energy: -1731.449 where: short stacking energy: -702.377 Base-Backbone interact. energy: 1.577 local terms energy: -738.122429 where: bonds (distance) C4'-P energy: -115.389 bonds (distance) P-C4' energy: -149.380 flat angles C4'-P-C4' energy: -164.826 flat angles P-C4'-P energy: -91.735 tors. eta vs tors. theta energy: -216.793 Dist. restrs. and SS energy: 0.000 (S_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: 445 Temperature: 1.150000 Total energy: -2479.760179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.760179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.760179 (E_RNA) where: Base-Base interactions energy: -1763.244 where: short stacking energy: -700.599 Base-Backbone interact. energy: -1.042 local terms energy: -715.473857 where: bonds (distance) C4'-P energy: -106.978 bonds (distance) P-C4' energy: -139.773 flat angles C4'-P-C4' energy: -152.290 flat angles P-C4'-P energy: -107.763 tors. eta vs tors. theta energy: -208.671 Dist. restrs. and SS energy: 0.000 (S_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: 445 Temperature: 1.200000 Total energy: -2367.900356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.900356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.900356 (E_RNA) where: Base-Base interactions energy: -1665.240 where: short stacking energy: -671.115 Base-Backbone interact. energy: -2.491 local terms energy: -700.170060 where: bonds (distance) C4'-P energy: -126.415 bonds (distance) P-C4' energy: -127.446 flat angles C4'-P-C4' energy: -151.013 flat angles P-C4'-P energy: -99.036 tors. eta vs tors. theta energy: -196.260 Dist. restrs. and SS energy: 0.000 (S_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: 445 Temperature: 1.250000 Total energy: -2294.848158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.848158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.848158 (E_RNA) where: Base-Base interactions energy: -1615.190 where: short stacking energy: -660.797 Base-Backbone interact. energy: -2.384 local terms energy: -677.274125 where: bonds (distance) C4'-P energy: -91.901 bonds (distance) P-C4' energy: -142.205 flat angles C4'-P-C4' energy: -151.723 flat angles P-C4'-P energy: -99.335 tors. eta vs tors. theta energy: -192.110 Dist. restrs. and SS energy: 0.000 (S_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: 445 Temperature: 1.300000 Total energy: -2236.603999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.603999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.603999 (E_RNA) where: Base-Base interactions energy: -1554.237 where: short stacking energy: -654.142 Base-Backbone interact. energy: -4.253 local terms energy: -678.113891 where: bonds (distance) C4'-P energy: -106.893 bonds (distance) P-C4' energy: -145.113 flat angles C4'-P-C4' energy: -139.018 flat angles P-C4'-P energy: -95.978 tors. eta vs tors. theta energy: -191.112 Dist. restrs. and SS energy: 0.000 (S_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: 445 Temperature: 1.350000 Total energy: -2021.299457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.299457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.299457 (E_RNA) where: Base-Base interactions energy: -1410.124 where: short stacking energy: -578.302 Base-Backbone interact. energy: -1.538 local terms energy: -609.637648 where: bonds (distance) C4'-P energy: -95.445 bonds (distance) P-C4' energy: -124.070 flat angles C4'-P-C4' energy: -141.305 flat angles P-C4'-P energy: -92.781 tors. eta vs tors. theta energy: -156.037 Dist. restrs. and SS energy: 0.000 (S_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: 446 Temperature: 0.900000 Total energy: -2702.636092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.636092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.636092 (E_RNA) where: Base-Base interactions energy: -1929.704 where: short stacking energy: -752.982 Base-Backbone interact. energy: -4.159 local terms energy: -768.773333 where: bonds (distance) C4'-P energy: -125.642 bonds (distance) P-C4' energy: -160.579 flat angles C4'-P-C4' energy: -154.701 flat angles P-C4'-P energy: -103.509 tors. eta vs tors. theta energy: -224.342 Dist. restrs. and SS energy: 0.000 (S_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: 446 Temperature: 0.950000 Total energy: -2700.649318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.649318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.649318 (E_RNA) where: Base-Base interactions energy: -1933.470 where: short stacking energy: -769.769 Base-Backbone interact. energy: -2.173 local terms energy: -765.006049 where: bonds (distance) C4'-P energy: -119.959 bonds (distance) P-C4' energy: -142.321 flat angles C4'-P-C4' energy: -160.398 flat angles P-C4'-P energy: -111.895 tors. eta vs tors. theta energy: -230.433 Dist. restrs. and SS energy: 0.000 (S_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: 446 Temperature: 1.000000 Total energy: -2615.852518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.852518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.852518 (E_RNA) where: Base-Base interactions energy: -1862.898 where: short stacking energy: -725.236 Base-Backbone interact. energy: -0.906 local terms energy: -752.048074 where: bonds (distance) C4'-P energy: -111.776 bonds (distance) P-C4' energy: -153.984 flat angles C4'-P-C4' energy: -159.471 flat angles P-C4'-P energy: -111.350 tors. eta vs tors. theta energy: -215.468 Dist. restrs. and SS energy: 0.000 (S_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: 446 Temperature: 1.050000 Total energy: -2541.190167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.190167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.190167 (E_RNA) where: Base-Base interactions energy: -1798.258 where: short stacking energy: -709.278 Base-Backbone interact. energy: -1.793 local terms energy: -741.139145 where: bonds (distance) C4'-P energy: -120.641 bonds (distance) P-C4' energy: -157.122 flat angles C4'-P-C4' energy: -159.514 flat angles P-C4'-P energy: -102.304 tors. eta vs tors. theta energy: -201.558 Dist. restrs. and SS energy: 0.000 (S_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: 446 Temperature: 1.100000 Total energy: -2488.106305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.106305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.106305 (E_RNA) where: Base-Base interactions energy: -1745.479 where: short stacking energy: -714.245 Base-Backbone interact. energy: -1.924 local terms energy: -740.703072 where: bonds (distance) C4'-P energy: -115.116 bonds (distance) P-C4' energy: -144.541 flat angles C4'-P-C4' energy: -156.513 flat angles P-C4'-P energy: -110.020 tors. eta vs tors. theta energy: -214.514 Dist. restrs. and SS energy: 0.000 (S_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: 446 Temperature: 1.150000 Total energy: -2472.515496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.515496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.515496 (E_RNA) where: Base-Base interactions energy: -1759.647 where: short stacking energy: -703.794 Base-Backbone interact. energy: -1.318 local terms energy: -711.550854 where: bonds (distance) C4'-P energy: -106.580 bonds (distance) P-C4' energy: -143.412 flat angles C4'-P-C4' energy: -159.403 flat angles P-C4'-P energy: -92.471 tors. eta vs tors. theta energy: -209.685 Dist. restrs. and SS energy: 0.000 (S_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: 446 Temperature: 1.200000 Total energy: -2364.168875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.168875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.168875 (E_RNA) where: Base-Base interactions energy: -1675.048 where: short stacking energy: -677.715 Base-Backbone interact. energy: -2.984 local terms energy: -686.136268 where: bonds (distance) C4'-P energy: -122.669 bonds (distance) P-C4' energy: -138.970 flat angles C4'-P-C4' energy: -142.140 flat angles P-C4'-P energy: -92.807 tors. eta vs tors. theta energy: -189.550 Dist. restrs. and SS energy: 0.000 (S_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: 446 Temperature: 1.250000 Total energy: -2273.555542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.555542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.555542 (E_RNA) where: Base-Base interactions energy: -1591.672 where: short stacking energy: -680.563 Base-Backbone interact. energy: -0.674 local terms energy: -681.209658 where: bonds (distance) C4'-P energy: -96.964 bonds (distance) P-C4' energy: -134.601 flat angles C4'-P-C4' energy: -151.519 flat angles P-C4'-P energy: -100.236 tors. eta vs tors. theta energy: -197.889 Dist. restrs. and SS energy: 0.000 (S_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: 446 Temperature: 1.300000 Total energy: -2265.874289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.874289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.874289 (E_RNA) where: Base-Base interactions energy: -1576.903 where: short stacking energy: -648.424 Base-Backbone interact. energy: -1.142 local terms energy: -687.829625 where: bonds (distance) C4'-P energy: -116.995 bonds (distance) P-C4' energy: -127.560 flat angles C4'-P-C4' energy: -155.088 flat angles P-C4'-P energy: -97.812 tors. eta vs tors. theta energy: -190.374 Dist. restrs. and SS energy: 0.000 (S_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: 446 Temperature: 1.350000 Total energy: -2008.549286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.549286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.549286 (E_RNA) where: Base-Base interactions energy: -1399.952 where: short stacking energy: -582.972 Base-Backbone interact. energy: -2.649 local terms energy: -605.948116 where: bonds (distance) C4'-P energy: -105.649 bonds (distance) P-C4' energy: -129.491 flat angles C4'-P-C4' energy: -127.712 flat angles P-C4'-P energy: -69.689 tors. eta vs tors. theta energy: -173.407 Dist. restrs. and SS energy: 0.000 (S_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: 447 Temperature: 0.900000 Total energy: -2708.629846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.629846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.629846 (E_RNA) where: Base-Base interactions energy: -1932.398 where: short stacking energy: -777.028 Base-Backbone interact. energy: -0.437 local terms energy: -775.795096 where: bonds (distance) C4'-P energy: -118.487 bonds (distance) P-C4' energy: -151.722 flat angles C4'-P-C4' energy: -168.344 flat angles P-C4'-P energy: -108.313 tors. eta vs tors. theta energy: -228.929 Dist. restrs. and SS energy: 0.000 (S_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: 447 Temperature: 0.950000 Total energy: -2676.373782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.373782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.373782 (E_RNA) where: Base-Base interactions energy: -1914.045 where: short stacking energy: -746.744 Base-Backbone interact. energy: -3.502 local terms energy: -758.826802 where: bonds (distance) C4'-P energy: -124.125 bonds (distance) P-C4' energy: -143.334 flat angles C4'-P-C4' energy: -161.153 flat angles P-C4'-P energy: -108.485 tors. eta vs tors. theta energy: -221.730 Dist. restrs. and SS energy: 0.000 (S_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: 447 Temperature: 1.000000 Total energy: -2611.666028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.666028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.666028 (E_RNA) where: Base-Base interactions energy: -1851.422 where: short stacking energy: -744.170 Base-Backbone interact. energy: -0.714 local terms energy: -759.529698 where: bonds (distance) C4'-P energy: -124.153 bonds (distance) P-C4' energy: -155.336 flat angles C4'-P-C4' energy: -156.860 flat angles P-C4'-P energy: -94.191 tors. eta vs tors. theta energy: -228.991 Dist. restrs. and SS energy: 0.000 (S_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: 447 Temperature: 1.050000 Total energy: -2552.600378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.600378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.600378 (E_RNA) where: Base-Base interactions energy: -1812.001 where: short stacking energy: -720.065 Base-Backbone interact. energy: -3.622 local terms energy: -736.976848 where: bonds (distance) C4'-P energy: -117.203 bonds (distance) P-C4' energy: -146.151 flat angles C4'-P-C4' energy: -154.380 flat angles P-C4'-P energy: -104.649 tors. eta vs tors. theta energy: -214.594 Dist. restrs. and SS energy: 0.000 (S_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: 447 Temperature: 1.100000 Total energy: -2501.512745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.512745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.512745 (E_RNA) where: Base-Base interactions energy: -1771.504 where: short stacking energy: -723.932 Base-Backbone interact. energy: -2.783 local terms energy: -727.225530 where: bonds (distance) C4'-P energy: -110.300 bonds (distance) P-C4' energy: -142.475 flat angles C4'-P-C4' energy: -154.417 flat angles P-C4'-P energy: -101.051 tors. eta vs tors. theta energy: -218.982 Dist. restrs. and SS energy: 0.000 (S_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: 447 Temperature: 1.150000 Total energy: -2453.462709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.462709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.462709 (E_RNA) where: Base-Base interactions energy: -1734.874 where: short stacking energy: -680.219 Base-Backbone interact. energy: -1.977 local terms energy: -716.611698 where: bonds (distance) C4'-P energy: -93.016 bonds (distance) P-C4' energy: -157.366 flat angles C4'-P-C4' energy: -149.475 flat angles P-C4'-P energy: -106.859 tors. eta vs tors. theta energy: -209.896 Dist. restrs. and SS energy: 0.000 (S_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: 447 Temperature: 1.200000 Total energy: -2354.311352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.311352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.311352 (E_RNA) where: Base-Base interactions energy: -1679.682 where: short stacking energy: -678.808 Base-Backbone interact. energy: -1.442 local terms energy: -673.187702 where: bonds (distance) C4'-P energy: -114.792 bonds (distance) P-C4' energy: -128.406 flat angles C4'-P-C4' energy: -148.132 flat angles P-C4'-P energy: -84.610 tors. eta vs tors. theta energy: -197.248 Dist. restrs. and SS energy: 0.000 (S_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: 447 Temperature: 1.250000 Total energy: -2257.829039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.829039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.829039 (E_RNA) where: Base-Base interactions energy: -1588.549 where: short stacking energy: -643.774 Base-Backbone interact. energy: 1.428 local terms energy: -670.708529 where: bonds (distance) C4'-P energy: -100.257 bonds (distance) P-C4' energy: -139.573 flat angles C4'-P-C4' energy: -140.819 flat angles P-C4'-P energy: -106.096 tors. eta vs tors. theta energy: -183.963 Dist. restrs. and SS energy: 0.000 (S_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: 447 Temperature: 1.300000 Total energy: -2240.360394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.360394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.360394 (E_RNA) where: Base-Base interactions energy: -1576.558 where: short stacking energy: -637.725 Base-Backbone interact. energy: -2.534 local terms energy: -661.267825 where: bonds (distance) C4'-P energy: -96.379 bonds (distance) P-C4' energy: -140.271 flat angles C4'-P-C4' energy: -139.016 flat angles P-C4'-P energy: -102.105 tors. eta vs tors. theta energy: -183.496 Dist. restrs. and SS energy: 0.000 (S_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: 447 Temperature: 1.350000 Total energy: -2039.637447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.637447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.637447 (E_RNA) where: Base-Base interactions energy: -1416.451 where: short stacking energy: -612.815 Base-Backbone interact. energy: -0.706 local terms energy: -622.480615 where: bonds (distance) C4'-P energy: -98.942 bonds (distance) P-C4' energy: -130.016 flat angles C4'-P-C4' energy: -128.634 flat angles P-C4'-P energy: -91.230 tors. eta vs tors. theta energy: -173.659 Dist. restrs. and SS energy: 0.000 (S_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: 448 Temperature: 0.900000 Total energy: -2703.960644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.960644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.960644 (E_RNA) where: Base-Base interactions energy: -1921.562 where: short stacking energy: -768.284 Base-Backbone interact. energy: -3.772 local terms energy: -778.626788 where: bonds (distance) C4'-P energy: -125.572 bonds (distance) P-C4' energy: -147.286 flat angles C4'-P-C4' energy: -156.444 flat angles P-C4'-P energy: -118.591 tors. eta vs tors. theta energy: -230.734 Dist. restrs. and SS energy: 0.000 (S_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: 448 Temperature: 0.950000 Total energy: -2668.913146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.913146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.913146 (E_RNA) where: Base-Base interactions energy: -1907.501 where: short stacking energy: -772.568 Base-Backbone interact. energy: -2.193 local terms energy: -759.219668 where: bonds (distance) C4'-P energy: -114.066 bonds (distance) P-C4' energy: -151.420 flat angles C4'-P-C4' energy: -155.222 flat angles P-C4'-P energy: -111.644 tors. eta vs tors. theta energy: -226.868 Dist. restrs. and SS energy: 0.000 (S_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: 448 Temperature: 1.000000 Total energy: -2586.947670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.947670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.947670 (E_RNA) where: Base-Base interactions energy: -1817.520 where: short stacking energy: -736.704 Base-Backbone interact. energy: -1.245 local terms energy: -768.182647 where: bonds (distance) C4'-P energy: -122.851 bonds (distance) P-C4' energy: -155.560 flat angles C4'-P-C4' energy: -154.843 flat angles P-C4'-P energy: -112.586 tors. eta vs tors. theta energy: -222.343 Dist. restrs. and SS energy: 0.000 (S_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: 448 Temperature: 1.050000 Total energy: -2590.883441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.883441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.883441 (E_RNA) where: Base-Base interactions energy: -1848.938 where: short stacking energy: -744.301 Base-Backbone interact. energy: -0.889 local terms energy: -741.056078 where: bonds (distance) C4'-P energy: -106.519 bonds (distance) P-C4' energy: -136.782 flat angles C4'-P-C4' energy: -164.026 flat angles P-C4'-P energy: -104.628 tors. eta vs tors. theta energy: -229.101 Dist. restrs. and SS energy: 0.000 (S_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: 448 Temperature: 1.100000 Total energy: -2480.227045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.227045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.227045 (E_RNA) where: Base-Base interactions energy: -1744.367 where: short stacking energy: -712.475 Base-Backbone interact. energy: -1.321 local terms energy: -734.539216 where: bonds (distance) C4'-P energy: -108.254 bonds (distance) P-C4' energy: -155.913 flat angles C4'-P-C4' energy: -150.326 flat angles P-C4'-P energy: -106.771 tors. eta vs tors. theta energy: -213.276 Dist. restrs. and SS energy: 0.000 (S_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: 448 Temperature: 1.150000 Total energy: -2462.641010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.641010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.641010 (E_RNA) where: Base-Base interactions energy: -1751.896 where: short stacking energy: -721.589 Base-Backbone interact. energy: -1.605 local terms energy: -709.139557 where: bonds (distance) C4'-P energy: -110.941 bonds (distance) P-C4' energy: -130.882 flat angles C4'-P-C4' energy: -146.740 flat angles P-C4'-P energy: -104.795 tors. eta vs tors. theta energy: -215.783 Dist. restrs. and SS energy: 0.000 (S_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: 448 Temperature: 1.200000 Total energy: -2426.896852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.896852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.896852 (E_RNA) where: Base-Base interactions energy: -1719.951 where: short stacking energy: -695.443 Base-Backbone interact. energy: -2.539 local terms energy: -704.407523 where: bonds (distance) C4'-P energy: -94.201 bonds (distance) P-C4' energy: -154.723 flat angles C4'-P-C4' energy: -149.714 flat angles P-C4'-P energy: -104.468 tors. eta vs tors. theta energy: -201.301 Dist. restrs. and SS energy: 0.000 (S_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: 448 Temperature: 1.250000 Total energy: -2213.556723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.556723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.556723 (E_RNA) where: Base-Base interactions energy: -1555.925 where: short stacking energy: -630.793 Base-Backbone interact. energy: -0.029 local terms energy: -657.602107 where: bonds (distance) C4'-P energy: -114.126 bonds (distance) P-C4' energy: -132.663 flat angles C4'-P-C4' energy: -136.097 flat angles P-C4'-P energy: -99.762 tors. eta vs tors. theta energy: -174.954 Dist. restrs. and SS energy: 0.000 (S_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: 448 Temperature: 1.300000 Total energy: -2203.864596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.864596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.864596 (E_RNA) where: Base-Base interactions energy: -1549.128 where: short stacking energy: -630.825 Base-Backbone interact. energy: -1.646 local terms energy: -653.090764 where: bonds (distance) C4'-P energy: -99.482 bonds (distance) P-C4' energy: -139.605 flat angles C4'-P-C4' energy: -141.502 flat angles P-C4'-P energy: -91.003 tors. eta vs tors. theta energy: -181.498 Dist. restrs. and SS energy: 0.000 (S_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: 448 Temperature: 1.350000 Total energy: -2088.592974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.592974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.592974 (E_RNA) where: Base-Base interactions energy: -1437.869 where: short stacking energy: -590.511 Base-Backbone interact. energy: 0.078 local terms energy: -650.801864 where: bonds (distance) C4'-P energy: -111.960 bonds (distance) P-C4' energy: -141.227 flat angles C4'-P-C4' energy: -139.822 flat angles P-C4'-P energy: -95.829 tors. eta vs tors. theta energy: -161.964 Dist. restrs. and SS energy: 0.000 (S_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: 449 Temperature: 0.900000 Total energy: -2713.061730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.061730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.061730 (E_RNA) where: Base-Base interactions energy: -1937.688 where: short stacking energy: -761.141 Base-Backbone interact. energy: -0.677 local terms energy: -774.697090 where: bonds (distance) C4'-P energy: -126.523 bonds (distance) P-C4' energy: -153.615 flat angles C4'-P-C4' energy: -162.813 flat angles P-C4'-P energy: -103.984 tors. eta vs tors. theta energy: -227.763 Dist. restrs. and SS energy: 0.000 (S_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: 449 Temperature: 0.950000 Total energy: -2665.276704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.276704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.276704 (E_RNA) where: Base-Base interactions energy: -1899.809 where: short stacking energy: -771.269 Base-Backbone interact. energy: -2.988 local terms energy: -762.480392 where: bonds (distance) C4'-P energy: -117.402 bonds (distance) P-C4' energy: -146.232 flat angles C4'-P-C4' energy: -155.448 flat angles P-C4'-P energy: -113.752 tors. eta vs tors. theta energy: -229.645 Dist. restrs. and SS energy: 0.000 (S_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: 449 Temperature: 1.000000 Total energy: -2574.709554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.709554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.709554 (E_RNA) where: Base-Base interactions energy: -1812.748 where: short stacking energy: -737.598 Base-Backbone interact. energy: -2.987 local terms energy: -758.974408 where: bonds (distance) C4'-P energy: -116.917 bonds (distance) P-C4' energy: -154.811 flat angles C4'-P-C4' energy: -158.785 flat angles P-C4'-P energy: -103.751 tors. eta vs tors. theta energy: -224.710 Dist. restrs. and SS energy: 0.000 (S_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: 449 Temperature: 1.050000 Total energy: -2584.339703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.339703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.339703 (E_RNA) where: Base-Base interactions energy: -1848.423 where: short stacking energy: -751.592 Base-Backbone interact. energy: -1.993 local terms energy: -733.924558 where: bonds (distance) C4'-P energy: -117.168 bonds (distance) P-C4' energy: -136.466 flat angles C4'-P-C4' energy: -149.184 flat angles P-C4'-P energy: -109.686 tors. eta vs tors. theta energy: -221.421 Dist. restrs. and SS energy: 0.000 (S_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: 449 Temperature: 1.100000 Total energy: -2521.012461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.012461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.012461 (E_RNA) where: Base-Base interactions energy: -1753.818 where: short stacking energy: -724.243 Base-Backbone interact. energy: -2.214 local terms energy: -764.980778 where: bonds (distance) C4'-P energy: -124.680 bonds (distance) P-C4' energy: -155.605 flat angles C4'-P-C4' energy: -151.423 flat angles P-C4'-P energy: -112.826 tors. eta vs tors. theta energy: -220.447 Dist. restrs. and SS energy: 0.000 (S_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: 449 Temperature: 1.150000 Total energy: -2467.718325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.718325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.718325 (E_RNA) where: Base-Base interactions energy: -1752.265 where: short stacking energy: -705.552 Base-Backbone interact. energy: -1.373 local terms energy: -714.080034 where: bonds (distance) C4'-P energy: -119.707 bonds (distance) P-C4' energy: -135.611 flat angles C4'-P-C4' energy: -146.877 flat angles P-C4'-P energy: -102.723 tors. eta vs tors. theta energy: -209.162 Dist. restrs. and SS energy: 0.000 (S_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: 449 Temperature: 1.200000 Total energy: -2362.759398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.759398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.759398 (E_RNA) where: Base-Base interactions energy: -1663.291 where: short stacking energy: -666.265 Base-Backbone interact. energy: -1.213 local terms energy: -698.255576 where: bonds (distance) C4'-P energy: -88.642 bonds (distance) P-C4' energy: -146.172 flat angles C4'-P-C4' energy: -142.149 flat angles P-C4'-P energy: -117.467 tors. eta vs tors. theta energy: -203.826 Dist. restrs. and SS energy: 0.000 (S_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: 449 Temperature: 1.250000 Total energy: -2239.909463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.909463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.909463 (E_RNA) where: Base-Base interactions energy: -1567.213 where: short stacking energy: -637.646 Base-Backbone interact. energy: -1.752 local terms energy: -670.944814 where: bonds (distance) C4'-P energy: -114.981 bonds (distance) P-C4' energy: -141.743 flat angles C4'-P-C4' energy: -151.900 flat angles P-C4'-P energy: -85.668 tors. eta vs tors. theta energy: -176.652 Dist. restrs. and SS energy: 0.000 (S_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: 449 Temperature: 1.300000 Total energy: -2218.501989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.501989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.501989 (E_RNA) where: Base-Base interactions energy: -1571.550 where: short stacking energy: -646.989 Base-Backbone interact. energy: -1.246 local terms energy: -645.705187 where: bonds (distance) C4'-P energy: -100.817 bonds (distance) P-C4' energy: -134.974 flat angles C4'-P-C4' energy: -132.423 flat angles P-C4'-P energy: -90.714 tors. eta vs tors. theta energy: -186.777 Dist. restrs. and SS energy: 0.000 (S_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: 449 Temperature: 1.350000 Total energy: -2051.714560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.714560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.714560 (E_RNA) where: Base-Base interactions energy: -1417.167 where: short stacking energy: -597.199 Base-Backbone interact. energy: -1.447 local terms energy: -633.100974 where: bonds (distance) C4'-P energy: -107.754 bonds (distance) P-C4' energy: -123.284 flat angles C4'-P-C4' energy: -145.387 flat angles P-C4'-P energy: -92.168 tors. eta vs tors. theta energy: -164.509 Dist. restrs. and SS energy: 0.000 (S_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: 450 Temperature: 0.900000 Total energy: -2702.394672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.394672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.394672 (E_RNA) where: Base-Base interactions energy: -1909.878 where: short stacking energy: -777.753 Base-Backbone interact. energy: -2.002 local terms energy: -790.514499 where: bonds (distance) C4'-P energy: -122.966 bonds (distance) P-C4' energy: -146.815 flat angles C4'-P-C4' energy: -165.923 flat angles P-C4'-P energy: -120.788 tors. eta vs tors. theta energy: -234.022 Dist. restrs. and SS energy: 0.000 (S_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: 450 Temperature: 0.950000 Total energy: -2669.059964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.059964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.059964 (E_RNA) where: Base-Base interactions energy: -1899.186 where: short stacking energy: -765.868 Base-Backbone interact. energy: -1.792 local terms energy: -768.082508 where: bonds (distance) C4'-P energy: -120.311 bonds (distance) P-C4' energy: -154.198 flat angles C4'-P-C4' energy: -156.487 flat angles P-C4'-P energy: -110.760 tors. eta vs tors. theta energy: -226.327 Dist. restrs. and SS energy: 0.000 (S_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: 450 Temperature: 1.000000 Total energy: -2607.440522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.440522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.440522 (E_RNA) where: Base-Base interactions energy: -1871.345 where: short stacking energy: -729.416 Base-Backbone interact. energy: -3.123 local terms energy: -732.972999 where: bonds (distance) C4'-P energy: -110.787 bonds (distance) P-C4' energy: -148.218 flat angles C4'-P-C4' energy: -151.665 flat angles P-C4'-P energy: -104.815 tors. eta vs tors. theta energy: -217.488 Dist. restrs. and SS energy: 0.000 (S_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: 450 Temperature: 1.050000 Total energy: -2567.308977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.308977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.308977 (E_RNA) where: Base-Base interactions energy: -1821.866 where: short stacking energy: -746.667 Base-Backbone interact. energy: -2.267 local terms energy: -743.175604 where: bonds (distance) C4'-P energy: -108.800 bonds (distance) P-C4' energy: -148.506 flat angles C4'-P-C4' energy: -156.883 flat angles P-C4'-P energy: -100.834 tors. eta vs tors. theta energy: -228.153 Dist. restrs. and SS energy: 0.000 (S_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: 450 Temperature: 1.100000 Total energy: -2493.379811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.379811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.379811 (E_RNA) where: Base-Base interactions energy: -1771.285 where: short stacking energy: -713.372 Base-Backbone interact. energy: -2.926 local terms energy: -719.169225 where: bonds (distance) C4'-P energy: -110.443 bonds (distance) P-C4' energy: -140.686 flat angles C4'-P-C4' energy: -149.931 flat angles P-C4'-P energy: -105.692 tors. eta vs tors. theta energy: -212.418 Dist. restrs. and SS energy: 0.000 (S_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: 450 Temperature: 1.150000 Total energy: -2458.826004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.826004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.826004 (E_RNA) where: Base-Base interactions energy: -1702.565 where: short stacking energy: -690.099 Base-Backbone interact. energy: -0.672 local terms energy: -755.588845 where: bonds (distance) C4'-P energy: -127.617 bonds (distance) P-C4' energy: -144.073 flat angles C4'-P-C4' energy: -151.056 flat angles P-C4'-P energy: -119.794 tors. eta vs tors. theta energy: -213.048 Dist. restrs. and SS energy: 0.000 (S_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: 450 Temperature: 1.200000 Total energy: -2383.123818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.123818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.123818 (E_RNA) where: Base-Base interactions energy: -1667.771 where: short stacking energy: -679.313 Base-Backbone interact. energy: 0.004 local terms energy: -715.356399 where: bonds (distance) C4'-P energy: -108.186 bonds (distance) P-C4' energy: -142.860 flat angles C4'-P-C4' energy: -151.907 flat angles P-C4'-P energy: -111.392 tors. eta vs tors. theta energy: -201.012 Dist. restrs. and SS energy: 0.000 (S_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: 450 Temperature: 1.250000 Total energy: -2241.231770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.231770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.231770 (E_RNA) where: Base-Base interactions energy: -1549.617 where: short stacking energy: -640.237 Base-Backbone interact. energy: -3.175 local terms energy: -688.439748 where: bonds (distance) C4'-P energy: -101.256 bonds (distance) P-C4' energy: -150.512 flat angles C4'-P-C4' energy: -133.546 flat angles P-C4'-P energy: -108.454 tors. eta vs tors. theta energy: -194.672 Dist. restrs. and SS energy: 0.000 (S_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: 450 Temperature: 1.300000 Total energy: -2254.355478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.355478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.355478 (E_RNA) where: Base-Base interactions energy: -1573.508 where: short stacking energy: -640.800 Base-Backbone interact. energy: 2.569 local terms energy: -683.416372 where: bonds (distance) C4'-P energy: -121.080 bonds (distance) P-C4' energy: -139.630 flat angles C4'-P-C4' energy: -144.623 flat angles P-C4'-P energy: -96.147 tors. eta vs tors. theta energy: -181.937 Dist. restrs. and SS energy: 0.000 (S_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: 450 Temperature: 1.350000 Total energy: -2082.295844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.295844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.295844 (E_RNA) where: Base-Base interactions energy: -1427.225 where: short stacking energy: -599.448 Base-Backbone interact. energy: -0.590 local terms energy: -654.480799 where: bonds (distance) C4'-P energy: -98.222 bonds (distance) P-C4' energy: -147.349 flat angles C4'-P-C4' energy: -143.817 flat angles P-C4'-P energy: -92.164 tors. eta vs tors. theta energy: -172.928 Dist. restrs. and SS energy: 0.000 (S_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: 451 Temperature: 0.900000 Total energy: -2698.443431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.443431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.443431 (E_RNA) where: Base-Base interactions energy: -1924.720 where: short stacking energy: -759.885 Base-Backbone interact. energy: -2.271 local terms energy: -771.452101 where: bonds (distance) C4'-P energy: -117.324 bonds (distance) P-C4' energy: -146.303 flat angles C4'-P-C4' energy: -164.985 flat angles P-C4'-P energy: -114.914 tors. eta vs tors. theta energy: -227.926 Dist. restrs. and SS energy: 0.000 (S_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: 451 Temperature: 0.950000 Total energy: -2666.357150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.357150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.357150 (E_RNA) where: Base-Base interactions energy: -1912.712 where: short stacking energy: -757.347 Base-Backbone interact. energy: -2.623 local terms energy: -751.022044 where: bonds (distance) C4'-P energy: -116.507 bonds (distance) P-C4' energy: -150.869 flat angles C4'-P-C4' energy: -153.979 flat angles P-C4'-P energy: -103.846 tors. eta vs tors. theta energy: -225.821 Dist. restrs. and SS energy: 0.000 (S_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: 451 Temperature: 1.000000 Total energy: -2628.561126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.561126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.561126 (E_RNA) where: Base-Base interactions energy: -1865.578 where: short stacking energy: -755.414 Base-Backbone interact. energy: -2.812 local terms energy: -760.171195 where: bonds (distance) C4'-P energy: -116.183 bonds (distance) P-C4' energy: -136.740 flat angles C4'-P-C4' energy: -165.743 flat angles P-C4'-P energy: -115.836 tors. eta vs tors. theta energy: -225.670 Dist. restrs. and SS energy: 0.000 (S_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: 451 Temperature: 1.050000 Total energy: -2545.622318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.622318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.622318 (E_RNA) where: Base-Base interactions energy: -1800.770 where: short stacking energy: -713.961 Base-Backbone interact. energy: -2.714 local terms energy: -742.138680 where: bonds (distance) C4'-P energy: -114.399 bonds (distance) P-C4' energy: -146.204 flat angles C4'-P-C4' energy: -157.309 flat angles P-C4'-P energy: -117.325 tors. eta vs tors. theta energy: -206.902 Dist. restrs. and SS energy: 0.000 (S_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: 451 Temperature: 1.100000 Total energy: -2502.206934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.206934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.206934 (E_RNA) where: Base-Base interactions energy: -1769.625 where: short stacking energy: -715.544 Base-Backbone interact. energy: -1.559 local terms energy: -731.022878 where: bonds (distance) C4'-P energy: -110.061 bonds (distance) P-C4' energy: -149.624 flat angles C4'-P-C4' energy: -157.022 flat angles P-C4'-P energy: -99.179 tors. eta vs tors. theta energy: -215.136 Dist. restrs. and SS energy: 0.000 (S_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: 451 Temperature: 1.150000 Total energy: -2435.980835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.980835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.980835 (E_RNA) where: Base-Base interactions energy: -1720.241 where: short stacking energy: -710.177 Base-Backbone interact. energy: -0.579 local terms energy: -715.160913 where: bonds (distance) C4'-P energy: -107.937 bonds (distance) P-C4' energy: -144.599 flat angles C4'-P-C4' energy: -149.782 flat angles P-C4'-P energy: -104.686 tors. eta vs tors. theta energy: -208.156 Dist. restrs. and SS energy: 0.000 (S_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: 451 Temperature: 1.200000 Total energy: -2395.485614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.485614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.485614 (E_RNA) where: Base-Base interactions energy: -1673.865 where: short stacking energy: -676.548 Base-Backbone interact. energy: -1.758 local terms energy: -719.862384 where: bonds (distance) C4'-P energy: -106.685 bonds (distance) P-C4' energy: -158.389 flat angles C4'-P-C4' energy: -147.862 flat angles P-C4'-P energy: -104.383 tors. eta vs tors. theta energy: -202.543 Dist. restrs. and SS energy: 0.000 (S_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: 451 Temperature: 1.250000 Total energy: -2253.548688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.548688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.548688 (E_RNA) where: Base-Base interactions energy: -1587.759 where: short stacking energy: -641.648 Base-Backbone interact. energy: -0.302 local terms energy: -665.487944 where: bonds (distance) C4'-P energy: -105.897 bonds (distance) P-C4' energy: -144.874 flat angles C4'-P-C4' energy: -144.941 flat angles P-C4'-P energy: -86.567 tors. eta vs tors. theta energy: -183.210 Dist. restrs. and SS energy: 0.000 (S_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: 451 Temperature: 1.300000 Total energy: -2212.919728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.919728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.919728 (E_RNA) where: Base-Base interactions energy: -1569.733 where: short stacking energy: -649.371 Base-Backbone interact. energy: 2.005 local terms energy: -645.192077 where: bonds (distance) C4'-P energy: -84.291 bonds (distance) P-C4' energy: -147.822 flat angles C4'-P-C4' energy: -129.870 flat angles P-C4'-P energy: -91.954 tors. eta vs tors. theta energy: -191.254 Dist. restrs. and SS energy: 0.000 (S_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: 451 Temperature: 1.350000 Total energy: -2057.686898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.686898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.686898 (E_RNA) where: Base-Base interactions energy: -1431.836 where: short stacking energy: -593.346 Base-Backbone interact. energy: -2.707 local terms energy: -623.144253 where: bonds (distance) C4'-P energy: -90.862 bonds (distance) P-C4' energy: -139.356 flat angles C4'-P-C4' energy: -137.701 flat angles P-C4'-P energy: -90.580 tors. eta vs tors. theta energy: -164.645 Dist. restrs. and SS energy: 0.000 (S_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: 452 Temperature: 0.900000 Total energy: -2706.995098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.995098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.995098 (E_RNA) where: Base-Base interactions energy: -1923.987 where: short stacking energy: -761.518 Base-Backbone interact. energy: -2.920 local terms energy: -780.087752 where: bonds (distance) C4'-P energy: -130.500 bonds (distance) P-C4' energy: -149.204 flat angles C4'-P-C4' energy: -167.554 flat angles P-C4'-P energy: -105.073 tors. eta vs tors. theta energy: -227.757 Dist. restrs. and SS energy: 0.000 (S_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: 452 Temperature: 0.950000 Total energy: -2665.900400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.900400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.900400 (E_RNA) where: Base-Base interactions energy: -1904.202 where: short stacking energy: -745.558 Base-Backbone interact. energy: -0.174 local terms energy: -761.524225 where: bonds (distance) C4'-P energy: -126.904 bonds (distance) P-C4' energy: -138.426 flat angles C4'-P-C4' energy: -162.712 flat angles P-C4'-P energy: -110.303 tors. eta vs tors. theta energy: -223.179 Dist. restrs. and SS energy: 0.000 (S_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: 452 Temperature: 1.000000 Total energy: -2594.713876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.713876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.713876 (E_RNA) where: Base-Base interactions energy: -1835.747 where: short stacking energy: -738.246 Base-Backbone interact. energy: -0.398 local terms energy: -758.569099 where: bonds (distance) C4'-P energy: -117.585 bonds (distance) P-C4' energy: -151.070 flat angles C4'-P-C4' energy: -152.247 flat angles P-C4'-P energy: -120.286 tors. eta vs tors. theta energy: -217.381 Dist. restrs. and SS energy: 0.000 (S_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: 452 Temperature: 1.050000 Total energy: -2615.918493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.918493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.918493 (E_RNA) where: Base-Base interactions energy: -1857.812 where: short stacking energy: -755.740 Base-Backbone interact. energy: -2.805 local terms energy: -755.301947 where: bonds (distance) C4'-P energy: -115.745 bonds (distance) P-C4' energy: -150.508 flat angles C4'-P-C4' energy: -159.168 flat angles P-C4'-P energy: -104.697 tors. eta vs tors. theta energy: -225.184 Dist. restrs. and SS energy: 0.000 (S_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: 452 Temperature: 1.100000 Total energy: -2503.158787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.158787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.158787 (E_RNA) where: Base-Base interactions energy: -1751.941 where: short stacking energy: -711.815 Base-Backbone interact. energy: -1.268 local terms energy: -749.949817 where: bonds (distance) C4'-P energy: -114.712 bonds (distance) P-C4' energy: -155.343 flat angles C4'-P-C4' energy: -151.932 flat angles P-C4'-P energy: -108.846 tors. eta vs tors. theta energy: -219.116 Dist. restrs. and SS energy: 0.000 (S_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: 452 Temperature: 1.150000 Total energy: -2382.892664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.892664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.892664 (E_RNA) where: Base-Base interactions energy: -1705.119 where: short stacking energy: -688.808 Base-Backbone interact. energy: -1.442 local terms energy: -676.331515 where: bonds (distance) C4'-P energy: -94.299 bonds (distance) P-C4' energy: -135.935 flat angles C4'-P-C4' energy: -140.929 flat angles P-C4'-P energy: -99.992 tors. eta vs tors. theta energy: -205.176 Dist. restrs. and SS energy: 0.000 (S_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: 452 Temperature: 1.200000 Total energy: -2275.462345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.462345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.462345 (E_RNA) where: Base-Base interactions energy: -1602.836 where: short stacking energy: -656.773 Base-Backbone interact. energy: -2.157 local terms energy: -670.469073 where: bonds (distance) C4'-P energy: -102.174 bonds (distance) P-C4' energy: -144.002 flat angles C4'-P-C4' energy: -142.460 flat angles P-C4'-P energy: -89.994 tors. eta vs tors. theta energy: -191.838 Dist. restrs. and SS energy: 0.000 (S_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: 452 Temperature: 1.250000 Total energy: -2368.237572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.237572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.237572 (E_RNA) where: Base-Base interactions energy: -1679.126 where: short stacking energy: -689.934 Base-Backbone interact. energy: 1.819 local terms energy: -690.930727 where: bonds (distance) C4'-P energy: -98.053 bonds (distance) P-C4' energy: -136.831 flat angles C4'-P-C4' energy: -144.996 flat angles P-C4'-P energy: -101.260 tors. eta vs tors. theta energy: -209.791 Dist. restrs. and SS energy: 0.000 (S_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: 452 Temperature: 1.300000 Total energy: -2193.366023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.366023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.366023 (E_RNA) where: Base-Base interactions energy: -1537.145 where: short stacking energy: -614.938 Base-Backbone interact. energy: -1.983 local terms energy: -654.237564 where: bonds (distance) C4'-P energy: -116.530 bonds (distance) P-C4' energy: -133.828 flat angles C4'-P-C4' energy: -133.222 flat angles P-C4'-P energy: -88.580 tors. eta vs tors. theta energy: -182.077 Dist. restrs. and SS energy: 0.000 (S_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: 452 Temperature: 1.350000 Total energy: -2026.657658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.657658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.657658 (E_RNA) where: Base-Base interactions energy: -1406.939 where: short stacking energy: -583.214 Base-Backbone interact. energy: -1.745 local terms energy: -617.973437 where: bonds (distance) C4'-P energy: -97.804 bonds (distance) P-C4' energy: -132.459 flat angles C4'-P-C4' energy: -136.684 flat angles P-C4'-P energy: -90.605 tors. eta vs tors. theta energy: -160.422 Dist. restrs. and SS energy: 0.000 (S_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: 453 Temperature: 0.900000 Total energy: -2721.949915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.949915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.949915 (E_RNA) where: Base-Base interactions energy: -1949.217 where: short stacking energy: -788.353 Base-Backbone interact. energy: -0.823 local terms energy: -771.910264 where: bonds (distance) C4'-P energy: -117.003 bonds (distance) P-C4' energy: -148.956 flat angles C4'-P-C4' energy: -163.123 flat angles P-C4'-P energy: -110.204 tors. eta vs tors. theta energy: -232.625 Dist. restrs. and SS energy: 0.000 (S_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: 453 Temperature: 0.950000 Total energy: -2684.224760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.224760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.224760 (E_RNA) where: Base-Base interactions energy: -1903.643 where: short stacking energy: -767.211 Base-Backbone interact. energy: -3.566 local terms energy: -777.016273 where: bonds (distance) C4'-P energy: -118.719 bonds (distance) P-C4' energy: -157.163 flat angles C4'-P-C4' energy: -172.690 flat angles P-C4'-P energy: -106.914 tors. eta vs tors. theta energy: -221.531 Dist. restrs. and SS energy: 0.000 (S_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: 453 Temperature: 1.000000 Total energy: -2608.405145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.405145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.405145 (E_RNA) where: Base-Base interactions energy: -1839.089 where: short stacking energy: -741.832 Base-Backbone interact. energy: -1.822 local terms energy: -767.494710 where: bonds (distance) C4'-P energy: -119.088 bonds (distance) P-C4' energy: -145.898 flat angles C4'-P-C4' energy: -163.151 flat angles P-C4'-P energy: -115.127 tors. eta vs tors. theta energy: -224.231 Dist. restrs. and SS energy: 0.000 (S_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: 453 Temperature: 1.050000 Total energy: -2603.987696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.987696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.987696 (E_RNA) where: Base-Base interactions energy: -1843.866 where: short stacking energy: -748.106 Base-Backbone interact. energy: -1.951 local terms energy: -758.171223 where: bonds (distance) C4'-P energy: -117.675 bonds (distance) P-C4' energy: -153.161 flat angles C4'-P-C4' energy: -156.790 flat angles P-C4'-P energy: -114.479 tors. eta vs tors. theta energy: -216.066 Dist. restrs. and SS energy: 0.000 (S_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: 453 Temperature: 1.100000 Total energy: -2520.208318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.208318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.208318 (E_RNA) where: Base-Base interactions energy: -1776.980 where: short stacking energy: -724.839 Base-Backbone interact. energy: -2.318 local terms energy: -740.910116 where: bonds (distance) C4'-P energy: -117.949 bonds (distance) P-C4' energy: -147.559 flat angles C4'-P-C4' energy: -152.149 flat angles P-C4'-P energy: -109.557 tors. eta vs tors. theta energy: -213.696 Dist. restrs. and SS energy: 0.000 (S_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: 453 Temperature: 1.150000 Total energy: -2388.191541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.191541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.191541 (E_RNA) where: Base-Base interactions energy: -1654.101 where: short stacking energy: -673.802 Base-Backbone interact. energy: -1.482 local terms energy: -732.608367 where: bonds (distance) C4'-P energy: -108.977 bonds (distance) P-C4' energy: -153.393 flat angles C4'-P-C4' energy: -163.106 flat angles P-C4'-P energy: -103.983 tors. eta vs tors. theta energy: -203.151 Dist. restrs. and SS energy: 0.000 (S_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: 453 Temperature: 1.200000 Total energy: -2326.050179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.050179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.050179 (E_RNA) where: Base-Base interactions energy: -1624.580 where: short stacking energy: -682.077 Base-Backbone interact. energy: -2.194 local terms energy: -699.275787 where: bonds (distance) C4'-P energy: -109.492 bonds (distance) P-C4' energy: -140.416 flat angles C4'-P-C4' energy: -146.281 flat angles P-C4'-P energy: -104.828 tors. eta vs tors. theta energy: -198.259 Dist. restrs. and SS energy: 0.000 (S_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: 453 Temperature: 1.250000 Total energy: -2358.076888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.076888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.076888 (E_RNA) where: Base-Base interactions energy: -1666.021 where: short stacking energy: -664.518 Base-Backbone interact. energy: 0.375 local terms energy: -692.430358 where: bonds (distance) C4'-P energy: -117.428 bonds (distance) P-C4' energy: -133.221 flat angles C4'-P-C4' energy: -142.868 flat angles P-C4'-P energy: -101.738 tors. eta vs tors. theta energy: -197.176 Dist. restrs. and SS energy: 0.000 (S_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: 453 Temperature: 1.300000 Total energy: -2216.595210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.595210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.595210 (E_RNA) where: Base-Base interactions energy: -1537.090 where: short stacking energy: -625.937 Base-Backbone interact. energy: -2.166 local terms energy: -677.339438 where: bonds (distance) C4'-P energy: -110.225 bonds (distance) P-C4' energy: -144.829 flat angles C4'-P-C4' energy: -149.241 flat angles P-C4'-P energy: -92.649 tors. eta vs tors. theta energy: -180.395 Dist. restrs. and SS energy: 0.000 (S_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: 453 Temperature: 1.350000 Total energy: -2071.196787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.196787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.196787 (E_RNA) where: Base-Base interactions energy: -1409.311 where: short stacking energy: -581.596 Base-Backbone interact. energy: 0.972 local terms energy: -662.858336 where: bonds (distance) C4'-P energy: -108.270 bonds (distance) P-C4' energy: -163.680 flat angles C4'-P-C4' energy: -129.793 flat angles P-C4'-P energy: -89.655 tors. eta vs tors. theta energy: -171.460 Dist. restrs. and SS energy: 0.000 (S_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: 454 Temperature: 0.900000 Total energy: -2698.271511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.271511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.271511 (E_RNA) where: Base-Base interactions energy: -1910.001 where: short stacking energy: -767.245 Base-Backbone interact. energy: -0.747 local terms energy: -787.522975 where: bonds (distance) C4'-P energy: -120.346 bonds (distance) P-C4' energy: -155.895 flat angles C4'-P-C4' energy: -166.790 flat angles P-C4'-P energy: -111.588 tors. eta vs tors. theta energy: -232.903 Dist. restrs. and SS energy: 0.000 (S_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: 454 Temperature: 0.950000 Total energy: -2669.317900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.317900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.317900 (E_RNA) where: Base-Base interactions energy: -1899.064 where: short stacking energy: -756.121 Base-Backbone interact. energy: -2.087 local terms energy: -768.167293 where: bonds (distance) C4'-P energy: -120.166 bonds (distance) P-C4' energy: -141.783 flat angles C4'-P-C4' energy: -159.200 flat angles P-C4'-P energy: -116.475 tors. eta vs tors. theta energy: -230.543 Dist. restrs. and SS energy: 0.000 (S_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: 454 Temperature: 1.000000 Total energy: -2638.595337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.595337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.595337 (E_RNA) where: Base-Base interactions energy: -1883.894 where: short stacking energy: -756.072 Base-Backbone interact. energy: -4.315 local terms energy: -750.385839 where: bonds (distance) C4'-P energy: -121.584 bonds (distance) P-C4' energy: -151.029 flat angles C4'-P-C4' energy: -151.808 flat angles P-C4'-P energy: -109.442 tors. eta vs tors. theta energy: -216.523 Dist. restrs. and SS energy: 0.000 (S_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: 454 Temperature: 1.050000 Total energy: -2562.362412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.362412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.362412 (E_RNA) where: Base-Base interactions energy: -1828.314 where: short stacking energy: -758.213 Base-Backbone interact. energy: 0.368 local terms energy: -734.416853 where: bonds (distance) C4'-P energy: -109.697 bonds (distance) P-C4' energy: -143.829 flat angles C4'-P-C4' energy: -156.528 flat angles P-C4'-P energy: -104.776 tors. eta vs tors. theta energy: -219.586 Dist. restrs. and SS energy: 0.000 (S_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: 454 Temperature: 1.100000 Total energy: -2528.131463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.131463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.131463 (E_RNA) where: Base-Base interactions energy: -1788.187 where: short stacking energy: -716.354 Base-Backbone interact. energy: -2.004 local terms energy: -737.939721 where: bonds (distance) C4'-P energy: -115.886 bonds (distance) P-C4' energy: -144.472 flat angles C4'-P-C4' energy: -146.514 flat angles P-C4'-P energy: -113.046 tors. eta vs tors. theta energy: -218.022 Dist. restrs. and SS energy: 0.000 (S_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: 454 Temperature: 1.150000 Total energy: -2411.108324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.108324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.108324 (E_RNA) where: Base-Base interactions energy: -1701.365 where: short stacking energy: -697.350 Base-Backbone interact. energy: -2.168 local terms energy: -707.576045 where: bonds (distance) C4'-P energy: -104.937 bonds (distance) P-C4' energy: -149.744 flat angles C4'-P-C4' energy: -154.832 flat angles P-C4'-P energy: -94.655 tors. eta vs tors. theta energy: -203.409 Dist. restrs. and SS energy: 0.000 (S_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: 454 Temperature: 1.200000 Total energy: -2396.253178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.253178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.253178 (E_RNA) where: Base-Base interactions energy: -1693.730 where: short stacking energy: -688.346 Base-Backbone interact. energy: -1.495 local terms energy: -701.028716 where: bonds (distance) C4'-P energy: -111.548 bonds (distance) P-C4' energy: -136.669 flat angles C4'-P-C4' energy: -156.821 flat angles P-C4'-P energy: -93.299 tors. eta vs tors. theta energy: -202.692 Dist. restrs. and SS energy: 0.000 (S_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: 454 Temperature: 1.250000 Total energy: -2270.870269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.870269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.870269 (E_RNA) where: Base-Base interactions energy: -1589.337 where: short stacking energy: -650.017 Base-Backbone interact. energy: -1.643 local terms energy: -679.890797 where: bonds (distance) C4'-P energy: -103.771 bonds (distance) P-C4' energy: -143.459 flat angles C4'-P-C4' energy: -138.156 flat angles P-C4'-P energy: -95.876 tors. eta vs tors. theta energy: -198.629 Dist. restrs. and SS energy: 0.000 (S_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: 454 Temperature: 1.300000 Total energy: -2192.330095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.330095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.330095 (E_RNA) where: Base-Base interactions energy: -1519.199 where: short stacking energy: -629.975 Base-Backbone interact. energy: -0.326 local terms energy: -672.804865 where: bonds (distance) C4'-P energy: -106.991 bonds (distance) P-C4' energy: -143.706 flat angles C4'-P-C4' energy: -143.023 flat angles P-C4'-P energy: -103.882 tors. eta vs tors. theta energy: -175.203 Dist. restrs. and SS energy: 0.000 (S_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: 454 Temperature: 1.350000 Total energy: -2042.226043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.226043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.226043 (E_RNA) where: Base-Base interactions energy: -1415.151 where: short stacking energy: -590.966 Base-Backbone interact. energy: 1.023 local terms energy: -628.098115 where: bonds (distance) C4'-P energy: -101.905 bonds (distance) P-C4' energy: -137.674 flat angles C4'-P-C4' energy: -136.954 flat angles P-C4'-P energy: -83.716 tors. eta vs tors. theta energy: -167.849 Dist. restrs. and SS energy: 0.000 (S_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: 455 Temperature: 0.900000 Total energy: -2700.303025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.303025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.303025 (E_RNA) where: Base-Base interactions energy: -1905.927 where: short stacking energy: -754.925 Base-Backbone interact. energy: -2.298 local terms energy: -792.078010 where: bonds (distance) C4'-P energy: -132.336 bonds (distance) P-C4' energy: -161.471 flat angles C4'-P-C4' energy: -160.121 flat angles P-C4'-P energy: -113.688 tors. eta vs tors. theta energy: -224.461 Dist. restrs. and SS energy: 0.000 (S_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: 455 Temperature: 0.950000 Total energy: -2681.278602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.278602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.278602 (E_RNA) where: Base-Base interactions energy: -1917.506 where: short stacking energy: -753.560 Base-Backbone interact. energy: -4.049 local terms energy: -759.724290 where: bonds (distance) C4'-P energy: -116.294 bonds (distance) P-C4' energy: -160.588 flat angles C4'-P-C4' energy: -153.357 flat angles P-C4'-P energy: -110.681 tors. eta vs tors. theta energy: -218.804 Dist. restrs. and SS energy: 0.000 (S_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: 455 Temperature: 1.000000 Total energy: -2615.707026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.707026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.707026 (E_RNA) where: Base-Base interactions energy: -1871.221 where: short stacking energy: -755.531 Base-Backbone interact. energy: -2.219 local terms energy: -742.266922 where: bonds (distance) C4'-P energy: -101.890 bonds (distance) P-C4' energy: -155.965 flat angles C4'-P-C4' energy: -156.230 flat angles P-C4'-P energy: -109.778 tors. eta vs tors. theta energy: -218.403 Dist. restrs. and SS energy: 0.000 (S_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: 455 Temperature: 1.050000 Total energy: -2574.702174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.702174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.702174 (E_RNA) where: Base-Base interactions energy: -1847.509 where: short stacking energy: -753.407 Base-Backbone interact. energy: -0.760 local terms energy: -726.433602 where: bonds (distance) C4'-P energy: -116.997 bonds (distance) P-C4' energy: -139.373 flat angles C4'-P-C4' energy: -148.938 flat angles P-C4'-P energy: -102.480 tors. eta vs tors. theta energy: -218.646 Dist. restrs. and SS energy: 0.000 (S_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: 455 Temperature: 1.100000 Total energy: -2491.638540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.638540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.638540 (E_RNA) where: Base-Base interactions energy: -1757.951 where: short stacking energy: -709.971 Base-Backbone interact. energy: -2.680 local terms energy: -731.007243 where: bonds (distance) C4'-P energy: -119.113 bonds (distance) P-C4' energy: -148.154 flat angles C4'-P-C4' energy: -147.575 flat angles P-C4'-P energy: -103.078 tors. eta vs tors. theta energy: -213.086 Dist. restrs. and SS energy: 0.000 (S_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: 455 Temperature: 1.150000 Total energy: -2431.925928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.925928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.925928 (E_RNA) where: Base-Base interactions energy: -1704.587 where: short stacking energy: -686.615 Base-Backbone interact. energy: -2.089 local terms energy: -725.250899 where: bonds (distance) C4'-P energy: -121.462 bonds (distance) P-C4' energy: -136.744 flat angles C4'-P-C4' energy: -150.288 flat angles P-C4'-P energy: -104.260 tors. eta vs tors. theta energy: -212.496 Dist. restrs. and SS energy: 0.000 (S_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: 455 Temperature: 1.200000 Total energy: -2403.755600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.755600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.755600 (E_RNA) where: Base-Base interactions energy: -1694.397 where: short stacking energy: -709.258 Base-Backbone interact. energy: -1.986 local terms energy: -707.372799 where: bonds (distance) C4'-P energy: -104.445 bonds (distance) P-C4' energy: -144.684 flat angles C4'-P-C4' energy: -145.485 flat angles P-C4'-P energy: -99.539 tors. eta vs tors. theta energy: -213.219 Dist. restrs. and SS energy: 0.000 (S_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: 455 Temperature: 1.250000 Total energy: -2288.083168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.083168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.083168 (E_RNA) where: Base-Base interactions energy: -1607.644 where: short stacking energy: -662.452 Base-Backbone interact. energy: -2.220 local terms energy: -678.219412 where: bonds (distance) C4'-P energy: -107.130 bonds (distance) P-C4' energy: -132.337 flat angles C4'-P-C4' energy: -149.181 flat angles P-C4'-P energy: -104.966 tors. eta vs tors. theta energy: -184.604 Dist. restrs. and SS energy: 0.000 (S_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: 455 Temperature: 1.300000 Total energy: -2179.054150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.054150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.054150 (E_RNA) where: Base-Base interactions energy: -1515.088 where: short stacking energy: -629.542 Base-Backbone interact. energy: -0.888 local terms energy: -663.078090 where: bonds (distance) C4'-P energy: -95.058 bonds (distance) P-C4' energy: -146.413 flat angles C4'-P-C4' energy: -147.017 flat angles P-C4'-P energy: -94.415 tors. eta vs tors. theta energy: -180.175 Dist. restrs. and SS energy: 0.000 (S_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: 455 Temperature: 1.350000 Total energy: -2082.337849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.337849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.337849 (E_RNA) where: Base-Base interactions energy: -1427.116 where: short stacking energy: -573.195 Base-Backbone interact. energy: -1.392 local terms energy: -653.829714 where: bonds (distance) C4'-P energy: -106.250 bonds (distance) P-C4' energy: -140.986 flat angles C4'-P-C4' energy: -143.683 flat angles P-C4'-P energy: -88.128 tors. eta vs tors. theta energy: -174.782 Dist. restrs. and SS energy: 0.000 (S_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: 456 Temperature: 0.900000 Total energy: -2720.957315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.957315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.957315 (E_RNA) where: Base-Base interactions energy: -1943.513 where: short stacking energy: -761.380 Base-Backbone interact. energy: -2.311 local terms energy: -775.133471 where: bonds (distance) C4'-P energy: -119.866 bonds (distance) P-C4' energy: -155.683 flat angles C4'-P-C4' energy: -162.980 flat angles P-C4'-P energy: -113.990 tors. eta vs tors. theta energy: -222.615 Dist. restrs. and SS energy: 0.000 (S_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: 456 Temperature: 0.950000 Total energy: -2690.528520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.528520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.528520 (E_RNA) where: Base-Base interactions energy: -1920.875 where: short stacking energy: -767.431 Base-Backbone interact. energy: -2.350 local terms energy: -767.303137 where: bonds (distance) C4'-P energy: -116.828 bonds (distance) P-C4' energy: -151.265 flat angles C4'-P-C4' energy: -160.369 flat angles P-C4'-P energy: -114.405 tors. eta vs tors. theta energy: -224.437 Dist. restrs. and SS energy: 0.000 (S_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: 456 Temperature: 1.000000 Total energy: -2610.279598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.279598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.279598 (E_RNA) where: Base-Base interactions energy: -1844.899 where: short stacking energy: -744.967 Base-Backbone interact. energy: -1.645 local terms energy: -763.734916 where: bonds (distance) C4'-P energy: -112.864 bonds (distance) P-C4' energy: -154.445 flat angles C4'-P-C4' energy: -166.366 flat angles P-C4'-P energy: -108.886 tors. eta vs tors. theta energy: -221.173 Dist. restrs. and SS energy: 0.000 (S_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: 456 Temperature: 1.050000 Total energy: -2570.711733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.711733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.711733 (E_RNA) where: Base-Base interactions energy: -1810.568 where: short stacking energy: -743.690 Base-Backbone interact. energy: -2.173 local terms energy: -757.971218 where: bonds (distance) C4'-P energy: -125.563 bonds (distance) P-C4' energy: -150.934 flat angles C4'-P-C4' energy: -154.789 flat angles P-C4'-P energy: -104.679 tors. eta vs tors. theta energy: -222.006 Dist. restrs. and SS energy: 0.000 (S_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: 456 Temperature: 1.100000 Total energy: -2522.583929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.583929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.583929 (E_RNA) where: Base-Base interactions energy: -1799.234 where: short stacking energy: -731.150 Base-Backbone interact. energy: 1.712 local terms energy: -725.061653 where: bonds (distance) C4'-P energy: -118.327 bonds (distance) P-C4' energy: -151.011 flat angles C4'-P-C4' energy: -145.397 flat angles P-C4'-P energy: -92.088 tors. eta vs tors. theta energy: -218.239 Dist. restrs. and SS energy: 0.000 (S_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: 456 Temperature: 1.150000 Total energy: -2453.891957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.891957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.891957 (E_RNA) where: Base-Base interactions energy: -1730.902 where: short stacking energy: -688.464 Base-Backbone interact. energy: -1.632 local terms energy: -721.357901 where: bonds (distance) C4'-P energy: -124.224 bonds (distance) P-C4' energy: -135.604 flat angles C4'-P-C4' energy: -156.581 flat angles P-C4'-P energy: -105.151 tors. eta vs tors. theta energy: -199.798 Dist. restrs. and SS energy: 0.000 (S_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: 456 Temperature: 1.200000 Total energy: -2395.070284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.070284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.070284 (E_RNA) where: Base-Base interactions energy: -1693.012 where: short stacking energy: -679.546 Base-Backbone interact. energy: -1.704 local terms energy: -700.354437 where: bonds (distance) C4'-P energy: -105.147 bonds (distance) P-C4' energy: -141.455 flat angles C4'-P-C4' energy: -147.572 flat angles P-C4'-P energy: -102.911 tors. eta vs tors. theta energy: -203.270 Dist. restrs. and SS energy: 0.000 (S_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: 456 Temperature: 1.250000 Total energy: -2248.991618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.991618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.991618 (E_RNA) where: Base-Base interactions energy: -1577.157 where: short stacking energy: -635.503 Base-Backbone interact. energy: -2.264 local terms energy: -669.570972 where: bonds (distance) C4'-P energy: -118.931 bonds (distance) P-C4' energy: -136.495 flat angles C4'-P-C4' energy: -140.186 flat angles P-C4'-P energy: -98.706 tors. eta vs tors. theta energy: -175.253 Dist. restrs. and SS energy: 0.000 (S_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: 456 Temperature: 1.300000 Total energy: -2187.420543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.420543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.420543 (E_RNA) where: Base-Base interactions energy: -1517.494 where: short stacking energy: -633.147 Base-Backbone interact. energy: -1.894 local terms energy: -668.032330 where: bonds (distance) C4'-P energy: -100.755 bonds (distance) P-C4' energy: -139.388 flat angles C4'-P-C4' energy: -149.130 flat angles P-C4'-P energy: -91.434 tors. eta vs tors. theta energy: -187.325 Dist. restrs. and SS energy: 0.000 (S_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: 456 Temperature: 1.350000 Total energy: -2107.377571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.377571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.377571 (E_RNA) where: Base-Base interactions energy: -1474.308 where: short stacking energy: -605.778 Base-Backbone interact. energy: -1.393 local terms energy: -631.676696 where: bonds (distance) C4'-P energy: -105.958 bonds (distance) P-C4' energy: -128.258 flat angles C4'-P-C4' energy: -139.234 flat angles P-C4'-P energy: -87.824 tors. eta vs tors. theta energy: -170.403 Dist. restrs. and SS energy: 0.000 (S_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: 457 Temperature: 0.900000 Total energy: -2698.199159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.199159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.199159 (E_RNA) where: Base-Base interactions energy: -1942.511 where: short stacking energy: -750.933 Base-Backbone interact. energy: -1.961 local terms energy: -753.726588 where: bonds (distance) C4'-P energy: -113.957 bonds (distance) P-C4' energy: -156.491 flat angles C4'-P-C4' energy: -154.356 flat angles P-C4'-P energy: -106.475 tors. eta vs tors. theta energy: -222.447 Dist. restrs. and SS energy: 0.000 (S_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: 457 Temperature: 0.950000 Total energy: -2675.086444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.086444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.086444 (E_RNA) where: Base-Base interactions energy: -1918.849 where: short stacking energy: -754.902 Base-Backbone interact. energy: -0.038 local terms energy: -756.199487 where: bonds (distance) C4'-P energy: -120.956 bonds (distance) P-C4' energy: -154.565 flat angles C4'-P-C4' energy: -151.209 flat angles P-C4'-P energy: -105.632 tors. eta vs tors. theta energy: -223.837 Dist. restrs. and SS energy: 0.000 (S_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: 457 Temperature: 1.000000 Total energy: -2604.893592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.893592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.893592 (E_RNA) where: Base-Base interactions energy: -1833.485 where: short stacking energy: -729.439 Base-Backbone interact. energy: -1.945 local terms energy: -769.464118 where: bonds (distance) C4'-P energy: -120.381 bonds (distance) P-C4' energy: -162.852 flat angles C4'-P-C4' energy: -158.754 flat angles P-C4'-P energy: -114.848 tors. eta vs tors. theta energy: -212.629 Dist. restrs. and SS energy: 0.000 (S_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: 457 Temperature: 1.050000 Total energy: -2561.703038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.703038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.703038 (E_RNA) where: Base-Base interactions energy: -1814.252 where: short stacking energy: -744.287 Base-Backbone interact. energy: -1.860 local terms energy: -745.590768 where: bonds (distance) C4'-P energy: -110.106 bonds (distance) P-C4' energy: -149.238 flat angles C4'-P-C4' energy: -157.704 flat angles P-C4'-P energy: -105.122 tors. eta vs tors. theta energy: -223.420 Dist. restrs. and SS energy: 0.000 (S_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: 457 Temperature: 1.100000 Total energy: -2486.143348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.143348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.143348 (E_RNA) where: Base-Base interactions energy: -1775.504 where: short stacking energy: -714.650 Base-Backbone interact. energy: -1.551 local terms energy: -709.088110 where: bonds (distance) C4'-P energy: -99.919 bonds (distance) P-C4' energy: -137.988 flat angles C4'-P-C4' energy: -149.593 flat angles P-C4'-P energy: -107.513 tors. eta vs tors. theta energy: -214.075 Dist. restrs. and SS energy: 0.000 (S_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: 457 Temperature: 1.150000 Total energy: -2421.865912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.865912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.865912 (E_RNA) where: Base-Base interactions energy: -1703.538 where: short stacking energy: -703.931 Base-Backbone interact. energy: -3.487 local terms energy: -714.841109 where: bonds (distance) C4'-P energy: -102.128 bonds (distance) P-C4' energy: -150.282 flat angles C4'-P-C4' energy: -154.432 flat angles P-C4'-P energy: -97.161 tors. eta vs tors. theta energy: -210.838 Dist. restrs. and SS energy: 0.000 (S_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: 457 Temperature: 1.200000 Total energy: -2398.703658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.703658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.703658 (E_RNA) where: Base-Base interactions energy: -1713.903 where: short stacking energy: -691.453 Base-Backbone interact. energy: -0.813 local terms energy: -683.987950 where: bonds (distance) C4'-P energy: -104.766 bonds (distance) P-C4' energy: -144.931 flat angles C4'-P-C4' energy: -136.842 flat angles P-C4'-P energy: -94.511 tors. eta vs tors. theta energy: -202.938 Dist. restrs. and SS energy: 0.000 (S_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: 457 Temperature: 1.250000 Total energy: -2255.138102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.138102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.138102 (E_RNA) where: Base-Base interactions energy: -1599.805 where: short stacking energy: -654.923 Base-Backbone interact. energy: -2.745 local terms energy: -652.588660 where: bonds (distance) C4'-P energy: -107.199 bonds (distance) P-C4' energy: -129.230 flat angles C4'-P-C4' energy: -143.347 flat angles P-C4'-P energy: -85.088 tors. eta vs tors. theta energy: -187.724 Dist. restrs. and SS energy: 0.000 (S_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: 457 Temperature: 1.300000 Total energy: -2229.365932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.365932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.365932 (E_RNA) where: Base-Base interactions energy: -1545.851 where: short stacking energy: -619.629 Base-Backbone interact. energy: -1.632 local terms energy: -681.883326 where: bonds (distance) C4'-P energy: -109.436 bonds (distance) P-C4' energy: -148.820 flat angles C4'-P-C4' energy: -140.754 flat angles P-C4'-P energy: -102.765 tors. eta vs tors. theta energy: -180.107 Dist. restrs. and SS energy: 0.000 (S_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: 457 Temperature: 1.350000 Total energy: -2049.884352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.884352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.884352 (E_RNA) where: Base-Base interactions energy: -1417.174 where: short stacking energy: -584.720 Base-Backbone interact. energy: -2.174 local terms energy: -630.535981 where: bonds (distance) C4'-P energy: -101.237 bonds (distance) P-C4' energy: -142.359 flat angles C4'-P-C4' energy: -139.446 flat angles P-C4'-P energy: -93.129 tors. eta vs tors. theta energy: -154.365 Dist. restrs. and SS energy: 0.000 (S_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: 458 Temperature: 0.900000 Total energy: -2703.741492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.741492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.741492 (E_RNA) where: Base-Base interactions energy: -1928.063 where: short stacking energy: -760.821 Base-Backbone interact. energy: -0.561 local terms energy: -775.117619 where: bonds (distance) C4'-P energy: -127.516 bonds (distance) P-C4' energy: -140.276 flat angles C4'-P-C4' energy: -162.217 flat angles P-C4'-P energy: -115.516 tors. eta vs tors. theta energy: -229.592 Dist. restrs. and SS energy: 0.000 (S_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: 458 Temperature: 0.950000 Total energy: -2674.935699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.935699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.935699 (E_RNA) where: Base-Base interactions energy: -1920.021 where: short stacking energy: -767.738 Base-Backbone interact. energy: -1.765 local terms energy: -753.148985 where: bonds (distance) C4'-P energy: -112.633 bonds (distance) P-C4' energy: -156.238 flat angles C4'-P-C4' energy: -155.983 flat angles P-C4'-P energy: -105.890 tors. eta vs tors. theta energy: -222.404 Dist. restrs. and SS energy: 0.000 (S_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: 458 Temperature: 1.000000 Total energy: -2616.657643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.657643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.657643 (E_RNA) where: Base-Base interactions energy: -1868.857 where: short stacking energy: -755.230 Base-Backbone interact. energy: -2.485 local terms energy: -745.316027 where: bonds (distance) C4'-P energy: -112.578 bonds (distance) P-C4' energy: -144.884 flat angles C4'-P-C4' energy: -165.305 flat angles P-C4'-P energy: -108.341 tors. eta vs tors. theta energy: -214.208 Dist. restrs. and SS energy: 0.000 (S_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: 458 Temperature: 1.050000 Total energy: -2560.737671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.737671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.737671 (E_RNA) where: Base-Base interactions energy: -1829.030 where: short stacking energy: -749.937 Base-Backbone interact. energy: -1.231 local terms energy: -730.476779 where: bonds (distance) C4'-P energy: -111.022 bonds (distance) P-C4' energy: -142.207 flat angles C4'-P-C4' energy: -159.909 flat angles P-C4'-P energy: -89.168 tors. eta vs tors. theta energy: -228.171 Dist. restrs. and SS energy: 0.000 (S_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: 458 Temperature: 1.100000 Total energy: -2493.694774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.694774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.694774 (E_RNA) where: Base-Base interactions energy: -1757.673 where: short stacking energy: -728.391 Base-Backbone interact. energy: 1.180 local terms energy: -737.202210 where: bonds (distance) C4'-P energy: -119.142 bonds (distance) P-C4' energy: -145.970 flat angles C4'-P-C4' energy: -153.433 flat angles P-C4'-P energy: -110.132 tors. eta vs tors. theta energy: -208.525 Dist. restrs. and SS energy: 0.000 (S_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: 458 Temperature: 1.150000 Total energy: -2412.004784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.004784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.004784 (E_RNA) where: Base-Base interactions energy: -1715.068 where: short stacking energy: -677.860 Base-Backbone interact. energy: -1.959 local terms energy: -694.977410 where: bonds (distance) C4'-P energy: -106.852 bonds (distance) P-C4' energy: -140.857 flat angles C4'-P-C4' energy: -150.887 flat angles P-C4'-P energy: -101.337 tors. eta vs tors. theta energy: -195.044 Dist. restrs. and SS energy: 0.000 (S_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: 458 Temperature: 1.200000 Total energy: -2387.717620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.717620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.717620 (E_RNA) where: Base-Base interactions energy: -1694.606 where: short stacking energy: -691.242 Base-Backbone interact. energy: -1.789 local terms energy: -691.322203 where: bonds (distance) C4'-P energy: -102.221 bonds (distance) P-C4' energy: -148.723 flat angles C4'-P-C4' energy: -145.193 flat angles P-C4'-P energy: -92.158 tors. eta vs tors. theta energy: -203.026 Dist. restrs. and SS energy: 0.000 (S_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: 458 Temperature: 1.250000 Total energy: -2234.676232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.676232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.676232 (E_RNA) where: Base-Base interactions energy: -1556.319 where: short stacking energy: -641.866 Base-Backbone interact. energy: -1.707 local terms energy: -676.650456 where: bonds (distance) C4'-P energy: -102.033 bonds (distance) P-C4' energy: -142.854 flat angles C4'-P-C4' energy: -142.566 flat angles P-C4'-P energy: -99.031 tors. eta vs tors. theta energy: -190.166 Dist. restrs. and SS energy: 0.000 (S_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: 458 Temperature: 1.300000 Total energy: -2249.413744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.413744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.413744 (E_RNA) where: Base-Base interactions energy: -1578.224 where: short stacking energy: -653.677 Base-Backbone interact. energy: -1.309 local terms energy: -669.880873 where: bonds (distance) C4'-P energy: -105.274 bonds (distance) P-C4' energy: -136.125 flat angles C4'-P-C4' energy: -142.046 flat angles P-C4'-P energy: -87.613 tors. eta vs tors. theta energy: -198.823 Dist. restrs. and SS energy: 0.000 (S_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: 458 Temperature: 1.350000 Total energy: -2061.406739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.406739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.406739 (E_RNA) where: Base-Base interactions energy: -1420.662 where: short stacking energy: -620.303 Base-Backbone interact. energy: -0.715 local terms energy: -640.029882 where: bonds (distance) C4'-P energy: -94.999 bonds (distance) P-C4' energy: -131.966 flat angles C4'-P-C4' energy: -139.008 flat angles P-C4'-P energy: -92.289 tors. eta vs tors. theta energy: -181.768 Dist. restrs. and SS energy: 0.000 (S_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: 459 Temperature: 0.900000 Total energy: -2698.853526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.853526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.853526 (E_RNA) where: Base-Base interactions energy: -1917.508 where: short stacking energy: -740.390 Base-Backbone interact. energy: -2.346 local terms energy: -778.999020 where: bonds (distance) C4'-P energy: -129.157 bonds (distance) P-C4' energy: -155.526 flat angles C4'-P-C4' energy: -158.866 flat angles P-C4'-P energy: -113.114 tors. eta vs tors. theta energy: -222.336 Dist. restrs. and SS energy: 0.000 (S_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: 459 Temperature: 0.950000 Total energy: -2674.217010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.217010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.217010 (E_RNA) where: Base-Base interactions energy: -1923.269 where: short stacking energy: -750.084 Base-Backbone interact. energy: -1.272 local terms energy: -749.676617 where: bonds (distance) C4'-P energy: -125.744 bonds (distance) P-C4' energy: -141.116 flat angles C4'-P-C4' energy: -153.786 flat angles P-C4'-P energy: -109.751 tors. eta vs tors. theta energy: -219.279 Dist. restrs. and SS energy: 0.000 (S_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: 459 Temperature: 1.000000 Total energy: -2608.367339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.367339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.367339 (E_RNA) where: Base-Base interactions energy: -1844.028 where: short stacking energy: -744.614 Base-Backbone interact. energy: -2.091 local terms energy: -762.248839 where: bonds (distance) C4'-P energy: -121.097 bonds (distance) P-C4' energy: -142.586 flat angles C4'-P-C4' energy: -160.973 flat angles P-C4'-P energy: -113.361 tors. eta vs tors. theta energy: -224.232 Dist. restrs. and SS energy: 0.000 (S_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: 459 Temperature: 1.050000 Total energy: -2563.431485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.431485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.431485 (E_RNA) where: Base-Base interactions energy: -1816.870 where: short stacking energy: -732.222 Base-Backbone interact. energy: 0.460 local terms energy: -747.021405 where: bonds (distance) C4'-P energy: -123.670 bonds (distance) P-C4' energy: -152.283 flat angles C4'-P-C4' energy: -143.310 flat angles P-C4'-P energy: -112.300 tors. eta vs tors. theta energy: -215.458 Dist. restrs. and SS energy: 0.000 (S_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: 459 Temperature: 1.100000 Total energy: -2507.814477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.814477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.814477 (E_RNA) where: Base-Base interactions energy: -1787.910 where: short stacking energy: -719.088 Base-Backbone interact. energy: -1.573 local terms energy: -718.331324 where: bonds (distance) C4'-P energy: -110.831 bonds (distance) P-C4' energy: -141.621 flat angles C4'-P-C4' energy: -154.179 flat angles P-C4'-P energy: -98.968 tors. eta vs tors. theta energy: -212.732 Dist. restrs. and SS energy: 0.000 (S_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: 459 Temperature: 1.150000 Total energy: -2415.487279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.487279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.487279 (E_RNA) where: Base-Base interactions energy: -1690.465 where: short stacking energy: -679.622 Base-Backbone interact. energy: -3.501 local terms energy: -721.520971 where: bonds (distance) C4'-P energy: -117.751 bonds (distance) P-C4' energy: -153.354 flat angles C4'-P-C4' energy: -148.084 flat angles P-C4'-P energy: -100.469 tors. eta vs tors. theta energy: -201.863 Dist. restrs. and SS energy: 0.000 (S_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: 459 Temperature: 1.200000 Total energy: -2399.260191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.260191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.260191 (E_RNA) where: Base-Base interactions energy: -1700.163 where: short stacking energy: -687.116 Base-Backbone interact. energy: -0.192 local terms energy: -698.904620 where: bonds (distance) C4'-P energy: -100.169 bonds (distance) P-C4' energy: -148.619 flat angles C4'-P-C4' energy: -150.491 flat angles P-C4'-P energy: -100.639 tors. eta vs tors. theta energy: -198.986 Dist. restrs. and SS energy: 0.000 (S_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: 459 Temperature: 1.250000 Total energy: -2321.996886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.996886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.996886 (E_RNA) where: Base-Base interactions energy: -1614.077 where: short stacking energy: -660.360 Base-Backbone interact. energy: -0.623 local terms energy: -707.297091 where: bonds (distance) C4'-P energy: -112.398 bonds (distance) P-C4' energy: -134.030 flat angles C4'-P-C4' energy: -145.182 flat angles P-C4'-P energy: -102.290 tors. eta vs tors. theta energy: -213.397 Dist. restrs. and SS energy: 0.000 (S_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: 459 Temperature: 1.300000 Total energy: -2192.254748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.254748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.254748 (E_RNA) where: Base-Base interactions energy: -1528.670 where: short stacking energy: -634.742 Base-Backbone interact. energy: -0.774 local terms energy: -662.811037 where: bonds (distance) C4'-P energy: -100.599 bonds (distance) P-C4' energy: -141.837 flat angles C4'-P-C4' energy: -142.314 flat angles P-C4'-P energy: -93.535 tors. eta vs tors. theta energy: -184.527 Dist. restrs. and SS energy: 0.000 (S_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: 459 Temperature: 1.350000 Total energy: -2067.950293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.950293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.950293 (E_RNA) where: Base-Base interactions energy: -1440.228 where: short stacking energy: -592.716 Base-Backbone interact. energy: 0.837 local terms energy: -628.559737 where: bonds (distance) C4'-P energy: -101.687 bonds (distance) P-C4' energy: -130.109 flat angles C4'-P-C4' energy: -134.432 flat angles P-C4'-P energy: -94.355 tors. eta vs tors. theta energy: -167.976 Dist. restrs. and SS energy: 0.000 (S_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: 460 Temperature: 0.900000 Total energy: -2729.000440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.000440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.000440 (E_RNA) where: Base-Base interactions energy: -1925.038 where: short stacking energy: -766.902 Base-Backbone interact. energy: -4.223 local terms energy: -799.738838 where: bonds (distance) C4'-P energy: -133.611 bonds (distance) P-C4' energy: -157.552 flat angles C4'-P-C4' energy: -164.195 flat angles P-C4'-P energy: -113.343 tors. eta vs tors. theta energy: -231.038 Dist. restrs. and SS energy: 0.000 (S_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: 460 Temperature: 0.950000 Total energy: -2663.073834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.073834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.073834 (E_RNA) where: Base-Base interactions energy: -1900.193 where: short stacking energy: -757.045 Base-Backbone interact. energy: -1.044 local terms energy: -761.836659 where: bonds (distance) C4'-P energy: -132.086 bonds (distance) P-C4' energy: -142.356 flat angles C4'-P-C4' energy: -158.895 flat angles P-C4'-P energy: -104.986 tors. eta vs tors. theta energy: -223.515 Dist. restrs. and SS energy: 0.000 (S_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: 460 Temperature: 1.000000 Total energy: -2627.174077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.174077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.174077 (E_RNA) where: Base-Base interactions energy: -1872.065 where: short stacking energy: -753.884 Base-Backbone interact. energy: 1.161 local terms energy: -756.269721 where: bonds (distance) C4'-P energy: -113.220 bonds (distance) P-C4' energy: -148.419 flat angles C4'-P-C4' energy: -166.781 flat angles P-C4'-P energy: -110.862 tors. eta vs tors. theta energy: -216.988 Dist. restrs. and SS energy: 0.000 (S_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: 460 Temperature: 1.050000 Total energy: -2558.652066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.652066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.652066 (E_RNA) where: Base-Base interactions energy: -1799.694 where: short stacking energy: -734.327 Base-Backbone interact. energy: -0.022 local terms energy: -758.936342 where: bonds (distance) C4'-P energy: -124.592 bonds (distance) P-C4' energy: -139.050 flat angles C4'-P-C4' energy: -158.948 flat angles P-C4'-P energy: -106.792 tors. eta vs tors. theta energy: -229.554 Dist. restrs. and SS energy: 0.000 (S_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: 460 Temperature: 1.100000 Total energy: -2520.616397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.616397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.616397 (E_RNA) where: Base-Base interactions energy: -1786.025 where: short stacking energy: -705.748 Base-Backbone interact. energy: -1.196 local terms energy: -733.395900 where: bonds (distance) C4'-P energy: -113.308 bonds (distance) P-C4' energy: -144.423 flat angles C4'-P-C4' energy: -154.405 flat angles P-C4'-P energy: -110.265 tors. eta vs tors. theta energy: -210.995 Dist. restrs. and SS energy: 0.000 (S_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: 460 Temperature: 1.150000 Total energy: -2404.932703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.932703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.932703 (E_RNA) where: Base-Base interactions energy: -1696.148 where: short stacking energy: -684.057 Base-Backbone interact. energy: -1.466 local terms energy: -707.319084 where: bonds (distance) C4'-P energy: -105.986 bonds (distance) P-C4' energy: -145.584 flat angles C4'-P-C4' energy: -160.560 flat angles P-C4'-P energy: -91.811 tors. eta vs tors. theta energy: -203.378 Dist. restrs. and SS energy: 0.000 (S_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: 460 Temperature: 1.200000 Total energy: -2365.275860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.275860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.275860 (E_RNA) where: Base-Base interactions energy: -1647.794 where: short stacking energy: -680.308 Base-Backbone interact. energy: -0.001 local terms energy: -717.480573 where: bonds (distance) C4'-P energy: -123.001 bonds (distance) P-C4' energy: -144.343 flat angles C4'-P-C4' energy: -148.953 flat angles P-C4'-P energy: -103.871 tors. eta vs tors. theta energy: -197.312 Dist. restrs. and SS energy: 0.000 (S_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: 460 Temperature: 1.250000 Total energy: -2277.707828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.707828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.707828 (E_RNA) where: Base-Base interactions energy: -1611.216 where: short stacking energy: -662.300 Base-Backbone interact. energy: -1.647 local terms energy: -664.845425 where: bonds (distance) C4'-P energy: -91.025 bonds (distance) P-C4' energy: -136.149 flat angles C4'-P-C4' energy: -144.055 flat angles P-C4'-P energy: -100.815 tors. eta vs tors. theta energy: -192.802 Dist. restrs. and SS energy: 0.000 (S_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: 460 Temperature: 1.300000 Total energy: -2239.355099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.355099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.355099 (E_RNA) where: Base-Base interactions energy: -1557.946 where: short stacking energy: -640.233 Base-Backbone interact. energy: 0.890 local terms energy: -682.299746 where: bonds (distance) C4'-P energy: -110.928 bonds (distance) P-C4' energy: -143.163 flat angles C4'-P-C4' energy: -142.799 flat angles P-C4'-P energy: -96.555 tors. eta vs tors. theta energy: -188.854 Dist. restrs. and SS energy: 0.000 (S_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: 460 Temperature: 1.350000 Total energy: -2062.791605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.791605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.791605 (E_RNA) where: Base-Base interactions energy: -1424.105 where: short stacking energy: -581.533 Base-Backbone interact. energy: -0.435 local terms energy: -638.251572 where: bonds (distance) C4'-P energy: -107.757 bonds (distance) P-C4' energy: -142.435 flat angles C4'-P-C4' energy: -135.464 flat angles P-C4'-P energy: -80.161 tors. eta vs tors. theta energy: -172.435 Dist. restrs. and SS energy: 0.000 (S_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: 461 Temperature: 0.900000 Total energy: -2701.763837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.763837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.763837 (E_RNA) where: Base-Base interactions energy: -1926.516 where: short stacking energy: -764.664 Base-Backbone interact. energy: -3.334 local terms energy: -771.913615 where: bonds (distance) C4'-P energy: -120.171 bonds (distance) P-C4' energy: -152.489 flat angles C4'-P-C4' energy: -156.382 flat angles P-C4'-P energy: -113.554 tors. eta vs tors. theta energy: -229.317 Dist. restrs. and SS energy: 0.000 (S_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: 461 Temperature: 0.950000 Total energy: -2689.543869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.543869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.543869 (E_RNA) where: Base-Base interactions energy: -1906.664 where: short stacking energy: -744.173 Base-Backbone interact. energy: -0.821 local terms energy: -782.059378 where: bonds (distance) C4'-P energy: -120.476 bonds (distance) P-C4' energy: -161.108 flat angles C4'-P-C4' energy: -160.376 flat angles P-C4'-P energy: -113.423 tors. eta vs tors. theta energy: -226.676 Dist. restrs. and SS energy: 0.000 (S_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: 461 Temperature: 1.000000 Total energy: -2615.019220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.019220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.019220 (E_RNA) where: Base-Base interactions energy: -1868.057 where: short stacking energy: -737.854 Base-Backbone interact. energy: -1.100 local terms energy: -745.862770 where: bonds (distance) C4'-P energy: -115.260 bonds (distance) P-C4' energy: -155.211 flat angles C4'-P-C4' energy: -161.784 flat angles P-C4'-P energy: -103.665 tors. eta vs tors. theta energy: -209.943 Dist. restrs. and SS energy: 0.000 (S_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: 461 Temperature: 1.050000 Total energy: -2563.997672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.997672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.997672 (E_RNA) where: Base-Base interactions energy: -1802.930 where: short stacking energy: -728.654 Base-Backbone interact. energy: -1.483 local terms energy: -759.584205 where: bonds (distance) C4'-P energy: -121.450 bonds (distance) P-C4' energy: -157.953 flat angles C4'-P-C4' energy: -150.878 flat angles P-C4'-P energy: -94.554 tors. eta vs tors. theta energy: -234.750 Dist. restrs. and SS energy: 0.000 (S_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: 461 Temperature: 1.100000 Total energy: -2502.644923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.644923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.644923 (E_RNA) where: Base-Base interactions energy: -1778.106 where: short stacking energy: -713.969 Base-Backbone interact. energy: -2.031 local terms energy: -722.508369 where: bonds (distance) C4'-P energy: -118.139 bonds (distance) P-C4' energy: -148.453 flat angles C4'-P-C4' energy: -137.599 flat angles P-C4'-P energy: -106.950 tors. eta vs tors. theta energy: -211.368 Dist. restrs. and SS energy: 0.000 (S_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: 461 Temperature: 1.150000 Total energy: -2457.864350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.864350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.864350 (E_RNA) where: Base-Base interactions energy: -1736.084 where: short stacking energy: -705.571 Base-Backbone interact. energy: -1.445 local terms energy: -720.334562 where: bonds (distance) C4'-P energy: -104.661 bonds (distance) P-C4' energy: -147.616 flat angles C4'-P-C4' energy: -155.879 flat angles P-C4'-P energy: -97.382 tors. eta vs tors. theta energy: -214.797 Dist. restrs. and SS energy: 0.000 (S_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: 461 Temperature: 1.200000 Total energy: -2401.857661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.857661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.857661 (E_RNA) where: Base-Base interactions energy: -1700.546 where: short stacking energy: -692.577 Base-Backbone interact. energy: 0.691 local terms energy: -702.002758 where: bonds (distance) C4'-P energy: -100.876 bonds (distance) P-C4' energy: -139.863 flat angles C4'-P-C4' energy: -158.824 flat angles P-C4'-P energy: -100.091 tors. eta vs tors. theta energy: -202.350 Dist. restrs. and SS energy: 0.000 (S_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: 461 Temperature: 1.250000 Total energy: -2266.584565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.584565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.584565 (E_RNA) where: Base-Base interactions energy: -1584.485 where: short stacking energy: -655.779 Base-Backbone interact. energy: -1.038 local terms energy: -681.061340 where: bonds (distance) C4'-P energy: -93.694 bonds (distance) P-C4' energy: -146.062 flat angles C4'-P-C4' energy: -151.812 flat angles P-C4'-P energy: -107.019 tors. eta vs tors. theta energy: -182.474 Dist. restrs. and SS energy: 0.000 (S_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: 461 Temperature: 1.300000 Total energy: -2189.779646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.779646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.779646 (E_RNA) where: Base-Base interactions energy: -1526.192 where: short stacking energy: -627.058 Base-Backbone interact. energy: 0.689 local terms energy: -664.276488 where: bonds (distance) C4'-P energy: -108.058 bonds (distance) P-C4' energy: -133.169 flat angles C4'-P-C4' energy: -145.698 flat angles P-C4'-P energy: -100.579 tors. eta vs tors. theta energy: -176.773 Dist. restrs. and SS energy: 0.000 (S_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: 461 Temperature: 1.350000 Total energy: -2074.358521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.358521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.358521 (E_RNA) where: Base-Base interactions energy: -1440.497 where: short stacking energy: -571.883 Base-Backbone interact. energy: -2.603 local terms energy: -631.259020 where: bonds (distance) C4'-P energy: -102.929 bonds (distance) P-C4' energy: -135.391 flat angles C4'-P-C4' energy: -142.365 flat angles P-C4'-P energy: -89.207 tors. eta vs tors. theta energy: -161.367 Dist. restrs. and SS energy: 0.000 (S_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: 462 Temperature: 0.900000 Total energy: -2713.541398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.541398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.541398 (E_RNA) where: Base-Base interactions energy: -1943.763 where: short stacking energy: -775.115 Base-Backbone interact. energy: -3.682 local terms energy: -766.096365 where: bonds (distance) C4'-P energy: -127.700 bonds (distance) P-C4' energy: -142.885 flat angles C4'-P-C4' energy: -162.504 flat angles P-C4'-P energy: -107.284 tors. eta vs tors. theta energy: -225.724 Dist. restrs. and SS energy: 0.000 (S_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: 462 Temperature: 0.950000 Total energy: -2678.095686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.095686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.095686 (E_RNA) where: Base-Base interactions energy: -1915.745 where: short stacking energy: -767.138 Base-Backbone interact. energy: -1.997 local terms energy: -760.353795 where: bonds (distance) C4'-P energy: -115.556 bonds (distance) P-C4' energy: -148.686 flat angles C4'-P-C4' energy: -164.365 flat angles P-C4'-P energy: -107.377 tors. eta vs tors. theta energy: -224.370 Dist. restrs. and SS energy: 0.000 (S_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: 462 Temperature: 1.000000 Total energy: -2624.751205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.751205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.751205 (E_RNA) where: Base-Base interactions energy: -1875.176 where: short stacking energy: -748.282 Base-Backbone interact. energy: -1.968 local terms energy: -747.607342 where: bonds (distance) C4'-P energy: -107.858 bonds (distance) P-C4' energy: -152.224 flat angles C4'-P-C4' energy: -157.174 flat angles P-C4'-P energy: -109.712 tors. eta vs tors. theta energy: -220.640 Dist. restrs. and SS energy: 0.000 (S_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: 462 Temperature: 1.050000 Total energy: -2559.883173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.883173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.883173 (E_RNA) where: Base-Base interactions energy: -1808.636 where: short stacking energy: -755.605 Base-Backbone interact. energy: -0.356 local terms energy: -750.891121 where: bonds (distance) C4'-P energy: -108.397 bonds (distance) P-C4' energy: -142.801 flat angles C4'-P-C4' energy: -161.165 flat angles P-C4'-P energy: -106.975 tors. eta vs tors. theta energy: -231.554 Dist. restrs. and SS energy: 0.000 (S_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: 462 Temperature: 1.100000 Total energy: -2501.546167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.546167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.546167 (E_RNA) where: Base-Base interactions energy: -1770.968 where: short stacking energy: -720.613 Base-Backbone interact. energy: -3.644 local terms energy: -726.934366 where: bonds (distance) C4'-P energy: -112.956 bonds (distance) P-C4' energy: -130.047 flat angles C4'-P-C4' energy: -162.188 flat angles P-C4'-P energy: -106.134 tors. eta vs tors. theta energy: -215.610 Dist. restrs. and SS energy: 0.000 (S_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: 462 Temperature: 1.150000 Total energy: -2428.577048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.577048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.577048 (E_RNA) where: Base-Base interactions energy: -1717.962 where: short stacking energy: -696.422 Base-Backbone interact. energy: -2.990 local terms energy: -707.625423 where: bonds (distance) C4'-P energy: -96.692 bonds (distance) P-C4' energy: -144.916 flat angles C4'-P-C4' energy: -153.071 flat angles P-C4'-P energy: -100.729 tors. eta vs tors. theta energy: -212.217 Dist. restrs. and SS energy: 0.000 (S_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: 462 Temperature: 1.200000 Total energy: -2381.299180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.299180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.299180 (E_RNA) where: Base-Base interactions energy: -1676.974 where: short stacking energy: -666.722 Base-Backbone interact. energy: -2.212 local terms energy: -702.113639 where: bonds (distance) C4'-P energy: -117.363 bonds (distance) P-C4' energy: -132.229 flat angles C4'-P-C4' energy: -147.150 flat angles P-C4'-P energy: -105.391 tors. eta vs tors. theta energy: -199.981 Dist. restrs. and SS energy: 0.000 (S_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: 462 Temperature: 1.250000 Total energy: -2270.212331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.212331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.212331 (E_RNA) where: Base-Base interactions energy: -1589.203 where: short stacking energy: -657.767 Base-Backbone interact. energy: -1.066 local terms energy: -679.943104 where: bonds (distance) C4'-P energy: -108.369 bonds (distance) P-C4' energy: -136.318 flat angles C4'-P-C4' energy: -154.787 flat angles P-C4'-P energy: -89.052 tors. eta vs tors. theta energy: -191.418 Dist. restrs. and SS energy: 0.000 (S_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: 462 Temperature: 1.300000 Total energy: -2192.660104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.660104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.660104 (E_RNA) where: Base-Base interactions energy: -1521.001 where: short stacking energy: -644.126 Base-Backbone interact. energy: -2.016 local terms energy: -669.643627 where: bonds (distance) C4'-P energy: -102.017 bonds (distance) P-C4' energy: -137.956 flat angles C4'-P-C4' energy: -146.344 flat angles P-C4'-P energy: -100.405 tors. eta vs tors. theta energy: -182.922 Dist. restrs. and SS energy: 0.000 (S_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: 462 Temperature: 1.350000 Total energy: -2050.173355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.173355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.173355 (E_RNA) where: Base-Base interactions energy: -1416.397 where: short stacking energy: -591.042 Base-Backbone interact. energy: -0.662 local terms energy: -633.114265 where: bonds (distance) C4'-P energy: -102.758 bonds (distance) P-C4' energy: -138.144 flat angles C4'-P-C4' energy: -135.160 flat angles P-C4'-P energy: -95.652 tors. eta vs tors. theta energy: -161.401 Dist. restrs. and SS energy: 0.000 (S_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: 463 Temperature: 0.900000 Total energy: -2707.279219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.279219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.279219 (E_RNA) where: Base-Base interactions energy: -1923.620 where: short stacking energy: -760.131 Base-Backbone interact. energy: -1.253 local terms energy: -782.405526 where: bonds (distance) C4'-P energy: -117.645 bonds (distance) P-C4' energy: -162.420 flat angles C4'-P-C4' energy: -162.279 flat angles P-C4'-P energy: -116.712 tors. eta vs tors. theta energy: -223.350 Dist. restrs. and SS energy: 0.000 (S_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: 463 Temperature: 0.950000 Total energy: -2677.117760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.117760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.117760 (E_RNA) where: Base-Base interactions energy: -1898.801 where: short stacking energy: -751.816 Base-Backbone interact. energy: -3.239 local terms energy: -775.077825 where: bonds (distance) C4'-P energy: -120.983 bonds (distance) P-C4' energy: -153.879 flat angles C4'-P-C4' energy: -163.978 flat angles P-C4'-P energy: -112.287 tors. eta vs tors. theta energy: -223.950 Dist. restrs. and SS energy: 0.000 (S_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: 463 Temperature: 1.000000 Total energy: -2625.158420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.158420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.158420 (E_RNA) where: Base-Base interactions energy: -1884.436 where: short stacking energy: -737.472 Base-Backbone interact. energy: -1.755 local terms energy: -738.966999 where: bonds (distance) C4'-P energy: -124.575 bonds (distance) P-C4' energy: -148.826 flat angles C4'-P-C4' energy: -157.608 flat angles P-C4'-P energy: -90.302 tors. eta vs tors. theta energy: -217.656 Dist. restrs. and SS energy: 0.000 (S_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: 463 Temperature: 1.050000 Total energy: -2561.224631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.224631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.224631 (E_RNA) where: Base-Base interactions energy: -1803.061 where: short stacking energy: -757.722 Base-Backbone interact. energy: -1.084 local terms energy: -757.080009 where: bonds (distance) C4'-P energy: -114.618 bonds (distance) P-C4' energy: -140.631 flat angles C4'-P-C4' energy: -154.544 flat angles P-C4'-P energy: -118.059 tors. eta vs tors. theta energy: -229.228 Dist. restrs. and SS energy: 0.000 (S_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: 463 Temperature: 1.100000 Total energy: -2508.385727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.385727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.385727 (E_RNA) where: Base-Base interactions energy: -1775.884 where: short stacking energy: -718.542 Base-Backbone interact. energy: -2.244 local terms energy: -730.258249 where: bonds (distance) C4'-P energy: -110.779 bonds (distance) P-C4' energy: -141.633 flat angles C4'-P-C4' energy: -155.628 flat angles P-C4'-P energy: -109.828 tors. eta vs tors. theta energy: -212.391 Dist. restrs. and SS energy: 0.000 (S_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: 463 Temperature: 1.150000 Total energy: -2408.356939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.356939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.356939 (E_RNA) where: Base-Base interactions energy: -1703.059 where: short stacking energy: -701.446 Base-Backbone interact. energy: -2.215 local terms energy: -703.083065 where: bonds (distance) C4'-P energy: -112.654 bonds (distance) P-C4' energy: -139.838 flat angles C4'-P-C4' energy: -146.740 flat angles P-C4'-P energy: -103.430 tors. eta vs tors. theta energy: -200.421 Dist. restrs. and SS energy: 0.000 (S_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: 463 Temperature: 1.200000 Total energy: -2437.208338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.208338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.208338 (E_RNA) where: Base-Base interactions energy: -1726.633 where: short stacking energy: -697.198 Base-Backbone interact. energy: -2.909 local terms energy: -707.666455 where: bonds (distance) C4'-P energy: -99.800 bonds (distance) P-C4' energy: -138.823 flat angles C4'-P-C4' energy: -152.270 flat angles P-C4'-P energy: -111.613 tors. eta vs tors. theta energy: -205.160 Dist. restrs. and SS energy: 0.000 (S_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: 463 Temperature: 1.250000 Total energy: -2322.360365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.360365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.360365 (E_RNA) where: Base-Base interactions energy: -1638.973 where: short stacking energy: -669.378 Base-Backbone interact. energy: 1.048 local terms energy: -684.434966 where: bonds (distance) C4'-P energy: -100.555 bonds (distance) P-C4' energy: -128.634 flat angles C4'-P-C4' energy: -152.280 flat angles P-C4'-P energy: -103.849 tors. eta vs tors. theta energy: -199.117 Dist. restrs. and SS energy: 0.000 (S_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: 463 Temperature: 1.300000 Total energy: -2213.715027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.715027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.715027 (E_RNA) where: Base-Base interactions energy: -1538.714 where: short stacking energy: -635.808 Base-Backbone interact. energy: -2.007 local terms energy: -672.994658 where: bonds (distance) C4'-P energy: -105.977 bonds (distance) P-C4' energy: -135.539 flat angles C4'-P-C4' energy: -153.716 flat angles P-C4'-P energy: -89.209 tors. eta vs tors. theta energy: -188.554 Dist. restrs. and SS energy: 0.000 (S_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: 463 Temperature: 1.350000 Total energy: -2023.646452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.646452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.646452 (E_RNA) where: Base-Base interactions energy: -1402.049 where: short stacking energy: -581.333 Base-Backbone interact. energy: 0.970 local terms energy: -622.567365 where: bonds (distance) C4'-P energy: -105.227 bonds (distance) P-C4' energy: -126.533 flat angles C4'-P-C4' energy: -128.105 flat angles P-C4'-P energy: -91.298 tors. eta vs tors. theta energy: -171.403 Dist. restrs. and SS energy: 0.000 (S_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: 464 Temperature: 0.900000 Total energy: -2705.074596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.074596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.074596 (E_RNA) where: Base-Base interactions energy: -1927.083 where: short stacking energy: -747.986 Base-Backbone interact. energy: -3.128 local terms energy: -774.863472 where: bonds (distance) C4'-P energy: -121.275 bonds (distance) P-C4' energy: -153.220 flat angles C4'-P-C4' energy: -163.752 flat angles P-C4'-P energy: -110.916 tors. eta vs tors. theta energy: -225.702 Dist. restrs. and SS energy: 0.000 (S_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: 464 Temperature: 0.950000 Total energy: -2681.880617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.880617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.880617 (E_RNA) where: Base-Base interactions energy: -1914.707 where: short stacking energy: -757.614 Base-Backbone interact. energy: -3.744 local terms energy: -763.429515 where: bonds (distance) C4'-P energy: -117.399 bonds (distance) P-C4' energy: -149.854 flat angles C4'-P-C4' energy: -159.312 flat angles P-C4'-P energy: -115.911 tors. eta vs tors. theta energy: -220.953 Dist. restrs. and SS energy: 0.000 (S_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: 464 Temperature: 1.000000 Total energy: -2624.203655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.203655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.203655 (E_RNA) where: Base-Base interactions energy: -1854.338 where: short stacking energy: -728.900 Base-Backbone interact. energy: -1.525 local terms energy: -768.340119 where: bonds (distance) C4'-P energy: -116.077 bonds (distance) P-C4' energy: -151.272 flat angles C4'-P-C4' energy: -167.017 flat angles P-C4'-P energy: -110.921 tors. eta vs tors. theta energy: -223.054 Dist. restrs. and SS energy: 0.000 (S_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: 464 Temperature: 1.050000 Total energy: -2549.698645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.698645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.698645 (E_RNA) where: Base-Base interactions energy: -1813.402 where: short stacking energy: -721.861 Base-Backbone interact. energy: -1.849 local terms energy: -734.448422 where: bonds (distance) C4'-P energy: -118.515 bonds (distance) P-C4' energy: -130.945 flat angles C4'-P-C4' energy: -158.714 flat angles P-C4'-P energy: -106.001 tors. eta vs tors. theta energy: -220.274 Dist. restrs. and SS energy: 0.000 (S_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: 464 Temperature: 1.100000 Total energy: -2505.473246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.473246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.473246 (E_RNA) where: Base-Base interactions energy: -1786.776 where: short stacking energy: -720.347 Base-Backbone interact. energy: -1.834 local terms energy: -716.863825 where: bonds (distance) C4'-P energy: -99.150 bonds (distance) P-C4' energy: -136.589 flat angles C4'-P-C4' energy: -158.350 flat angles P-C4'-P energy: -103.215 tors. eta vs tors. theta energy: -219.559 Dist. restrs. and SS energy: 0.000 (S_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: 464 Temperature: 1.150000 Total energy: -2428.518484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.518484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.518484 (E_RNA) where: Base-Base interactions energy: -1713.940 where: short stacking energy: -707.347 Base-Backbone interact. energy: -2.496 local terms energy: -712.082228 where: bonds (distance) C4'-P energy: -116.828 bonds (distance) P-C4' energy: -134.888 flat angles C4'-P-C4' energy: -159.205 flat angles P-C4'-P energy: -88.598 tors. eta vs tors. theta energy: -212.565 Dist. restrs. and SS energy: 0.000 (S_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: 464 Temperature: 1.200000 Total energy: -2405.776060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.776060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.776060 (E_RNA) where: Base-Base interactions energy: -1699.537 where: short stacking energy: -686.933 Base-Backbone interact. energy: 0.900 local terms energy: -707.138784 where: bonds (distance) C4'-P energy: -108.271 bonds (distance) P-C4' energy: -148.318 flat angles C4'-P-C4' energy: -144.532 flat angles P-C4'-P energy: -100.414 tors. eta vs tors. theta energy: -205.604 Dist. restrs. and SS energy: 0.000 (S_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: 464 Temperature: 1.250000 Total energy: -2304.028936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.028936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.028936 (E_RNA) where: Base-Base interactions energy: -1606.623 where: short stacking energy: -658.110 Base-Backbone interact. energy: -2.255 local terms energy: -695.150696 where: bonds (distance) C4'-P energy: -106.732 bonds (distance) P-C4' energy: -146.791 flat angles C4'-P-C4' energy: -154.200 flat angles P-C4'-P energy: -103.771 tors. eta vs tors. theta energy: -183.657 Dist. restrs. and SS energy: 0.000 (S_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: 464 Temperature: 1.300000 Total energy: -2185.599285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.599285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.599285 (E_RNA) where: Base-Base interactions energy: -1523.971 where: short stacking energy: -618.412 Base-Backbone interact. energy: 0.000 local terms energy: -661.628475 where: bonds (distance) C4'-P energy: -94.045 bonds (distance) P-C4' energy: -142.202 flat angles C4'-P-C4' energy: -144.183 flat angles P-C4'-P energy: -101.284 tors. eta vs tors. theta energy: -179.915 Dist. restrs. and SS energy: 0.000 (S_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: 464 Temperature: 1.350000 Total energy: -2020.776561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.776561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.776561 (E_RNA) where: Base-Base interactions energy: -1388.210 where: short stacking energy: -571.863 Base-Backbone interact. energy: -0.805 local terms energy: -631.761513 where: bonds (distance) C4'-P energy: -109.872 bonds (distance) P-C4' energy: -120.709 flat angles C4'-P-C4' energy: -142.517 flat angles P-C4'-P energy: -97.489 tors. eta vs tors. theta energy: -161.174 Dist. restrs. and SS energy: 0.000 (S_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: 465 Temperature: 0.900000 Total energy: -2709.056698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.056698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.056698 (E_RNA) where: Base-Base interactions energy: -1933.121 where: short stacking energy: -757.811 Base-Backbone interact. energy: -2.622 local terms energy: -773.314339 where: bonds (distance) C4'-P energy: -119.074 bonds (distance) P-C4' energy: -161.825 flat angles C4'-P-C4' energy: -157.144 flat angles P-C4'-P energy: -107.822 tors. eta vs tors. theta energy: -227.450 Dist. restrs. and SS energy: 0.000 (S_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: 465 Temperature: 0.950000 Total energy: -2651.929186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.929186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.929186 (E_RNA) where: Base-Base interactions energy: -1878.998 where: short stacking energy: -751.744 Base-Backbone interact. energy: -0.409 local terms energy: -772.522147 where: bonds (distance) C4'-P energy: -119.700 bonds (distance) P-C4' energy: -160.286 flat angles C4'-P-C4' energy: -153.066 flat angles P-C4'-P energy: -114.005 tors. eta vs tors. theta energy: -225.465 Dist. restrs. and SS energy: 0.000 (S_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: 465 Temperature: 1.000000 Total energy: -2663.486392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.486392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.486392 (E_RNA) where: Base-Base interactions energy: -1890.022 where: short stacking energy: -744.464 Base-Backbone interact. energy: -0.857 local terms energy: -772.607691 where: bonds (distance) C4'-P energy: -126.456 bonds (distance) P-C4' energy: -151.103 flat angles C4'-P-C4' energy: -161.066 flat angles P-C4'-P energy: -111.172 tors. eta vs tors. theta energy: -222.812 Dist. restrs. and SS energy: 0.000 (S_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: 465 Temperature: 1.050000 Total energy: -2559.286131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.286131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.286131 (E_RNA) where: Base-Base interactions energy: -1794.557 where: short stacking energy: -727.670 Base-Backbone interact. energy: -2.225 local terms energy: -762.504932 where: bonds (distance) C4'-P energy: -122.066 bonds (distance) P-C4' energy: -150.431 flat angles C4'-P-C4' energy: -156.661 flat angles P-C4'-P energy: -108.202 tors. eta vs tors. theta energy: -225.145 Dist. restrs. and SS energy: 0.000 (S_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: 465 Temperature: 1.100000 Total energy: -2525.445098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.445098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.445098 (E_RNA) where: Base-Base interactions energy: -1777.447 where: short stacking energy: -730.707 Base-Backbone interact. energy: -1.693 local terms energy: -746.305387 where: bonds (distance) C4'-P energy: -114.069 bonds (distance) P-C4' energy: -150.533 flat angles C4'-P-C4' energy: -154.977 flat angles P-C4'-P energy: -108.690 tors. eta vs tors. theta energy: -218.037 Dist. restrs. and SS energy: 0.000 (S_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: 465 Temperature: 1.150000 Total energy: -2421.583015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.583015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.583015 (E_RNA) where: Base-Base interactions energy: -1720.725 where: short stacking energy: -678.480 Base-Backbone interact. energy: 0.153 local terms energy: -701.010523 where: bonds (distance) C4'-P energy: -100.261 bonds (distance) P-C4' energy: -144.069 flat angles C4'-P-C4' energy: -152.897 flat angles P-C4'-P energy: -91.246 tors. eta vs tors. theta energy: -212.536 Dist. restrs. and SS energy: 0.000 (S_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: 465 Temperature: 1.200000 Total energy: -2412.423504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.423504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.423504 (E_RNA) where: Base-Base interactions energy: -1715.936 where: short stacking energy: -685.997 Base-Backbone interact. energy: -0.551 local terms energy: -695.936722 where: bonds (distance) C4'-P energy: -105.765 bonds (distance) P-C4' energy: -139.037 flat angles C4'-P-C4' energy: -143.849 flat angles P-C4'-P energy: -94.657 tors. eta vs tors. theta energy: -212.629 Dist. restrs. and SS energy: 0.000 (S_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: 465 Temperature: 1.250000 Total energy: -2224.761111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.761111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.761111 (E_RNA) where: Base-Base interactions energy: -1564.499 where: short stacking energy: -633.199 Base-Backbone interact. energy: -1.866 local terms energy: -658.396428 where: bonds (distance) C4'-P energy: -96.244 bonds (distance) P-C4' energy: -143.481 flat angles C4'-P-C4' energy: -141.338 flat angles P-C4'-P energy: -97.743 tors. eta vs tors. theta energy: -179.592 Dist. restrs. and SS energy: 0.000 (S_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: 465 Temperature: 1.300000 Total energy: -2245.490647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.490647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.490647 (E_RNA) where: Base-Base interactions energy: -1579.611 where: short stacking energy: -652.593 Base-Backbone interact. energy: -1.859 local terms energy: -664.020504 where: bonds (distance) C4'-P energy: -103.218 bonds (distance) P-C4' energy: -144.555 flat angles C4'-P-C4' energy: -140.265 flat angles P-C4'-P energy: -90.425 tors. eta vs tors. theta energy: -185.558 Dist. restrs. and SS energy: 0.000 (S_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: 465 Temperature: 1.350000 Total energy: -2014.437954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.437954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.437954 (E_RNA) where: Base-Base interactions energy: -1367.528 where: short stacking energy: -565.357 Base-Backbone interact. energy: 0.125 local terms energy: -647.034656 where: bonds (distance) C4'-P energy: -98.382 bonds (distance) P-C4' energy: -144.057 flat angles C4'-P-C4' energy: -145.337 flat angles P-C4'-P energy: -92.876 tors. eta vs tors. theta energy: -166.383 Dist. restrs. and SS energy: 0.000 (S_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: 466 Temperature: 0.900000 Total energy: -2654.484201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.484201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.484201 (E_RNA) where: Base-Base interactions energy: -1877.679 where: short stacking energy: -750.335 Base-Backbone interact. energy: -2.714 local terms energy: -774.090879 where: bonds (distance) C4'-P energy: -124.579 bonds (distance) P-C4' energy: -152.213 flat angles C4'-P-C4' energy: -161.666 flat angles P-C4'-P energy: -111.477 tors. eta vs tors. theta energy: -224.156 Dist. restrs. and SS energy: 0.000 (S_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: 466 Temperature: 0.950000 Total energy: -2676.098202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.098202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.098202 (E_RNA) where: Base-Base interactions energy: -1906.301 where: short stacking energy: -762.187 Base-Backbone interact. energy: -1.961 local terms energy: -767.836546 where: bonds (distance) C4'-P energy: -121.226 bonds (distance) P-C4' energy: -141.764 flat angles C4'-P-C4' energy: -166.610 flat angles P-C4'-P energy: -107.966 tors. eta vs tors. theta energy: -230.271 Dist. restrs. and SS energy: 0.000 (S_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: 466 Temperature: 1.000000 Total energy: -2649.767274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.767274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.767274 (E_RNA) where: Base-Base interactions energy: -1880.212 where: short stacking energy: -757.008 Base-Backbone interact. energy: -2.492 local terms energy: -767.063493 where: bonds (distance) C4'-P energy: -109.838 bonds (distance) P-C4' energy: -156.932 flat angles C4'-P-C4' energy: -157.206 flat angles P-C4'-P energy: -117.282 tors. eta vs tors. theta energy: -225.805 Dist. restrs. and SS energy: 0.000 (S_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: 466 Temperature: 1.050000 Total energy: -2560.008541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.008541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.008541 (E_RNA) where: Base-Base interactions energy: -1811.518 where: short stacking energy: -746.611 Base-Backbone interact. energy: -2.232 local terms energy: -746.259251 where: bonds (distance) C4'-P energy: -116.868 bonds (distance) P-C4' energy: -142.784 flat angles C4'-P-C4' energy: -154.875 flat angles P-C4'-P energy: -104.228 tors. eta vs tors. theta energy: -227.504 Dist. restrs. and SS energy: 0.000 (S_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: 466 Temperature: 1.100000 Total energy: -2484.836178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.836178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.836178 (E_RNA) where: Base-Base interactions energy: -1759.198 where: short stacking energy: -715.797 Base-Backbone interact. energy: 2.131 local terms energy: -727.769947 where: bonds (distance) C4'-P energy: -107.607 bonds (distance) P-C4' energy: -148.981 flat angles C4'-P-C4' energy: -161.880 flat angles P-C4'-P energy: -89.659 tors. eta vs tors. theta energy: -219.643 Dist. restrs. and SS energy: 0.000 (S_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: 466 Temperature: 1.150000 Total energy: -2451.602063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.602063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.602063 (E_RNA) where: Base-Base interactions energy: -1726.641 where: short stacking energy: -702.703 Base-Backbone interact. energy: -2.275 local terms energy: -722.685370 where: bonds (distance) C4'-P energy: -112.923 bonds (distance) P-C4' energy: -146.613 flat angles C4'-P-C4' energy: -151.827 flat angles P-C4'-P energy: -103.780 tors. eta vs tors. theta energy: -207.543 Dist. restrs. and SS energy: 0.000 (S_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: 466 Temperature: 1.200000 Total energy: -2418.063845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.063845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.063845 (E_RNA) where: Base-Base interactions energy: -1713.724 where: short stacking energy: -673.748 Base-Backbone interact. energy: -1.393 local terms energy: -702.946624 where: bonds (distance) C4'-P energy: -121.030 bonds (distance) P-C4' energy: -132.982 flat angles C4'-P-C4' energy: -153.972 flat angles P-C4'-P energy: -91.262 tors. eta vs tors. theta energy: -203.700 Dist. restrs. and SS energy: 0.000 (S_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: 466 Temperature: 1.250000 Total energy: -2217.192485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.192485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.192485 (E_RNA) where: Base-Base interactions energy: -1539.645 where: short stacking energy: -636.165 Base-Backbone interact. energy: -1.742 local terms energy: -675.805388 where: bonds (distance) C4'-P energy: -107.238 bonds (distance) P-C4' energy: -137.361 flat angles C4'-P-C4' energy: -141.828 flat angles P-C4'-P energy: -103.869 tors. eta vs tors. theta energy: -185.509 Dist. restrs. and SS energy: 0.000 (S_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: 466 Temperature: 1.300000 Total energy: -2265.859702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.859702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.859702 (E_RNA) where: Base-Base interactions energy: -1584.744 where: short stacking energy: -651.450 Base-Backbone interact. energy: -1.543 local terms energy: -679.572421 where: bonds (distance) C4'-P energy: -112.177 bonds (distance) P-C4' energy: -134.950 flat angles C4'-P-C4' energy: -144.084 flat angles P-C4'-P energy: -98.414 tors. eta vs tors. theta energy: -189.948 Dist. restrs. and SS energy: 0.000 (S_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: 466 Temperature: 1.350000 Total energy: -2019.172691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.172691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.172691 (E_RNA) where: Base-Base interactions energy: -1387.291 where: short stacking energy: -583.845 Base-Backbone interact. energy: 0.121 local terms energy: -632.001825 where: bonds (distance) C4'-P energy: -121.025 bonds (distance) P-C4' energy: -119.277 flat angles C4'-P-C4' energy: -137.687 flat angles P-C4'-P energy: -88.935 tors. eta vs tors. theta energy: -165.078 Dist. restrs. and SS energy: 0.000 (S_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: 467 Temperature: 0.900000 Total energy: -2673.227735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.227735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.227735 (E_RNA) where: Base-Base interactions energy: -1891.274 where: short stacking energy: -743.100 Base-Backbone interact. energy: -1.895 local terms energy: -780.059626 where: bonds (distance) C4'-P energy: -123.494 bonds (distance) P-C4' energy: -161.711 flat angles C4'-P-C4' energy: -158.011 flat angles P-C4'-P energy: -109.752 tors. eta vs tors. theta energy: -227.092 Dist. restrs. and SS energy: 0.000 (S_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: 467 Temperature: 0.950000 Total energy: -2696.578384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.578384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.578384 (E_RNA) where: Base-Base interactions energy: -1917.223 where: short stacking energy: -751.542 Base-Backbone interact. energy: -2.684 local terms energy: -776.671152 where: bonds (distance) C4'-P energy: -127.188 bonds (distance) P-C4' energy: -145.694 flat angles C4'-P-C4' energy: -162.604 flat angles P-C4'-P energy: -117.376 tors. eta vs tors. theta energy: -223.809 Dist. restrs. and SS energy: 0.000 (S_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: 467 Temperature: 1.000000 Total energy: -2618.597298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.597298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.597298 (E_RNA) where: Base-Base interactions energy: -1868.487 where: short stacking energy: -733.681 Base-Backbone interact. energy: 1.817 local terms energy: -751.927669 where: bonds (distance) C4'-P energy: -108.787 bonds (distance) P-C4' energy: -156.620 flat angles C4'-P-C4' energy: -157.061 flat angles P-C4'-P energy: -113.388 tors. eta vs tors. theta energy: -216.072 Dist. restrs. and SS energy: 0.000 (S_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: 467 Temperature: 1.050000 Total energy: -2538.008079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.008079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.008079 (E_RNA) where: Base-Base interactions energy: -1814.173 where: short stacking energy: -738.993 Base-Backbone interact. energy: -0.596 local terms energy: -723.238778 where: bonds (distance) C4'-P energy: -105.360 bonds (distance) P-C4' energy: -141.496 flat angles C4'-P-C4' energy: -155.443 flat angles P-C4'-P energy: -101.508 tors. eta vs tors. theta energy: -219.432 Dist. restrs. and SS energy: 0.000 (S_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: 467 Temperature: 1.100000 Total energy: -2470.840281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.840281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.840281 (E_RNA) where: Base-Base interactions energy: -1751.009 where: short stacking energy: -717.095 Base-Backbone interact. energy: -0.534 local terms energy: -719.297334 where: bonds (distance) C4'-P energy: -118.327 bonds (distance) P-C4' energy: -135.749 flat angles C4'-P-C4' energy: -148.780 flat angles P-C4'-P energy: -111.964 tors. eta vs tors. theta energy: -204.477 Dist. restrs. and SS energy: 0.000 (S_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: 467 Temperature: 1.150000 Total energy: -2403.487116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.487116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.487116 (E_RNA) where: Base-Base interactions energy: -1693.549 where: short stacking energy: -691.615 Base-Backbone interact. energy: -1.244 local terms energy: -708.694452 where: bonds (distance) C4'-P energy: -109.907 bonds (distance) P-C4' energy: -143.917 flat angles C4'-P-C4' energy: -153.724 flat angles P-C4'-P energy: -101.922 tors. eta vs tors. theta energy: -199.223 Dist. restrs. and SS energy: 0.000 (S_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: 467 Temperature: 1.200000 Total energy: -2419.922753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.922753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.922753 (E_RNA) where: Base-Base interactions energy: -1726.067 where: short stacking energy: -707.746 Base-Backbone interact. energy: -0.064 local terms energy: -693.791998 where: bonds (distance) C4'-P energy: -109.137 bonds (distance) P-C4' energy: -133.965 flat angles C4'-P-C4' energy: -146.411 flat angles P-C4'-P energy: -103.597 tors. eta vs tors. theta energy: -200.683 Dist. restrs. and SS energy: 0.000 (S_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: 467 Temperature: 1.250000 Total energy: -2275.556246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.556246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.556246 (E_RNA) where: Base-Base interactions energy: -1611.063 where: short stacking energy: -646.882 Base-Backbone interact. energy: -1.950 local terms energy: -662.543149 where: bonds (distance) C4'-P energy: -89.549 bonds (distance) P-C4' energy: -139.908 flat angles C4'-P-C4' energy: -144.859 flat angles P-C4'-P energy: -105.818 tors. eta vs tors. theta energy: -182.409 Dist. restrs. and SS energy: 0.000 (S_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: 467 Temperature: 1.300000 Total energy: -2237.279888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.279888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.279888 (E_RNA) where: Base-Base interactions energy: -1578.010 where: short stacking energy: -642.112 Base-Backbone interact. energy: -2.155 local terms energy: -657.115128 where: bonds (distance) C4'-P energy: -102.387 bonds (distance) P-C4' energy: -136.001 flat angles C4'-P-C4' energy: -138.562 flat angles P-C4'-P energy: -94.977 tors. eta vs tors. theta energy: -185.188 Dist. restrs. and SS energy: 0.000 (S_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: 467 Temperature: 1.350000 Total energy: -2022.672003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.672003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.672003 (E_RNA) where: Base-Base interactions energy: -1364.599 where: short stacking energy: -570.350 Base-Backbone interact. energy: -1.347 local terms energy: -656.725752 where: bonds (distance) C4'-P energy: -107.973 bonds (distance) P-C4' energy: -145.122 flat angles C4'-P-C4' energy: -142.434 flat angles P-C4'-P energy: -91.350 tors. eta vs tors. theta energy: -169.847 Dist. restrs. and SS energy: 0.000 (S_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: 468 Temperature: 0.900000 Total energy: -2718.449612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.449612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.449612 (E_RNA) where: Base-Base interactions energy: -1941.142 where: short stacking energy: -766.844 Base-Backbone interact. energy: -2.470 local terms energy: -774.837879 where: bonds (distance) C4'-P energy: -128.462 bonds (distance) P-C4' energy: -152.147 flat angles C4'-P-C4' energy: -161.059 flat angles P-C4'-P energy: -104.172 tors. eta vs tors. theta energy: -228.998 Dist. restrs. and SS energy: 0.000 (S_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: 468 Temperature: 0.950000 Total energy: -2644.874612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.874612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.874612 (E_RNA) where: Base-Base interactions energy: -1896.284 where: short stacking energy: -754.583 Base-Backbone interact. energy: -2.454 local terms energy: -746.136944 where: bonds (distance) C4'-P energy: -117.643 bonds (distance) P-C4' energy: -144.225 flat angles C4'-P-C4' energy: -157.038 flat angles P-C4'-P energy: -104.747 tors. eta vs tors. theta energy: -222.484 Dist. restrs. and SS energy: 0.000 (S_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: 468 Temperature: 1.000000 Total energy: -2645.784359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.784359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.784359 (E_RNA) where: Base-Base interactions energy: -1879.685 where: short stacking energy: -758.932 Base-Backbone interact. energy: -1.079 local terms energy: -765.020278 where: bonds (distance) C4'-P energy: -124.418 bonds (distance) P-C4' energy: -146.827 flat angles C4'-P-C4' energy: -153.874 flat angles P-C4'-P energy: -114.589 tors. eta vs tors. theta energy: -225.312 Dist. restrs. and SS energy: 0.000 (S_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: 468 Temperature: 1.050000 Total energy: -2534.060618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.060618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.060618 (E_RNA) where: Base-Base interactions energy: -1800.983 where: short stacking energy: -735.158 Base-Backbone interact. energy: -1.829 local terms energy: -731.248216 where: bonds (distance) C4'-P energy: -107.780 bonds (distance) P-C4' energy: -151.519 flat angles C4'-P-C4' energy: -151.274 flat angles P-C4'-P energy: -110.236 tors. eta vs tors. theta energy: -210.439 Dist. restrs. and SS energy: 0.000 (S_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: 468 Temperature: 1.100000 Total energy: -2468.752780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.752780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.752780 (E_RNA) where: Base-Base interactions energy: -1743.530 where: short stacking energy: -704.137 Base-Backbone interact. energy: -2.268 local terms energy: -722.954261 where: bonds (distance) C4'-P energy: -120.174 bonds (distance) P-C4' energy: -146.005 flat angles C4'-P-C4' energy: -149.481 flat angles P-C4'-P energy: -107.184 tors. eta vs tors. theta energy: -200.110 Dist. restrs. and SS energy: 0.000 (S_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: 468 Temperature: 1.150000 Total energy: -2428.906248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.906248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.906248 (E_RNA) where: Base-Base interactions energy: -1716.398 where: short stacking energy: -695.793 Base-Backbone interact. energy: -2.001 local terms energy: -710.507611 where: bonds (distance) C4'-P energy: -101.958 bonds (distance) P-C4' energy: -133.166 flat angles C4'-P-C4' energy: -160.496 flat angles P-C4'-P energy: -107.064 tors. eta vs tors. theta energy: -207.824 Dist. restrs. and SS energy: 0.000 (S_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: 468 Temperature: 1.200000 Total energy: -2394.894851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.894851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.894851 (E_RNA) where: Base-Base interactions energy: -1679.146 where: short stacking energy: -679.626 Base-Backbone interact. energy: -2.215 local terms energy: -713.534404 where: bonds (distance) C4'-P energy: -114.815 bonds (distance) P-C4' energy: -146.276 flat angles C4'-P-C4' energy: -146.922 flat angles P-C4'-P energy: -100.838 tors. eta vs tors. theta energy: -204.683 Dist. restrs. and SS energy: 0.000 (S_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: 468 Temperature: 1.250000 Total energy: -2274.797536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.797536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.797536 (E_RNA) where: Base-Base interactions energy: -1590.722 where: short stacking energy: -670.204 Base-Backbone interact. energy: -1.720 local terms energy: -682.355355 where: bonds (distance) C4'-P energy: -107.782 bonds (distance) P-C4' energy: -130.106 flat angles C4'-P-C4' energy: -155.464 flat angles P-C4'-P energy: -97.000 tors. eta vs tors. theta energy: -192.004 Dist. restrs. and SS energy: 0.000 (S_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: 468 Temperature: 1.300000 Total energy: -2217.681636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.681636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.681636 (E_RNA) where: Base-Base interactions energy: -1561.009 where: short stacking energy: -627.427 Base-Backbone interact. energy: 0.612 local terms energy: -657.284661 where: bonds (distance) C4'-P energy: -95.213 bonds (distance) P-C4' energy: -136.831 flat angles C4'-P-C4' energy: -149.848 flat angles P-C4'-P energy: -93.887 tors. eta vs tors. theta energy: -181.505 Dist. restrs. and SS energy: 0.000 (S_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: 468 Temperature: 1.350000 Total energy: -2050.468653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.468653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.468653 (E_RNA) where: Base-Base interactions energy: -1410.838 where: short stacking energy: -578.314 Base-Backbone interact. energy: -1.599 local terms energy: -638.031264 where: bonds (distance) C4'-P energy: -104.112 bonds (distance) P-C4' energy: -154.898 flat angles C4'-P-C4' energy: -130.325 flat angles P-C4'-P energy: -84.910 tors. eta vs tors. theta energy: -163.786 Dist. restrs. and SS energy: 0.000 (S_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: 469 Temperature: 0.900000 Total energy: -2745.529298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.529298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.529298 (E_RNA) where: Base-Base interactions energy: -1958.944 where: short stacking energy: -791.999 Base-Backbone interact. energy: -1.971 local terms energy: -784.614293 where: bonds (distance) C4'-P energy: -124.287 bonds (distance) P-C4' energy: -162.251 flat angles C4'-P-C4' energy: -155.954 flat angles P-C4'-P energy: -112.815 tors. eta vs tors. theta energy: -229.306 Dist. restrs. and SS energy: 0.000 (S_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: 469 Temperature: 0.950000 Total energy: -2650.493494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.493494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.493494 (E_RNA) where: Base-Base interactions energy: -1874.044 where: short stacking energy: -748.866 Base-Backbone interact. energy: -2.907 local terms energy: -773.541767 where: bonds (distance) C4'-P energy: -123.929 bonds (distance) P-C4' energy: -147.832 flat angles C4'-P-C4' energy: -165.935 flat angles P-C4'-P energy: -110.128 tors. eta vs tors. theta energy: -225.718 Dist. restrs. and SS energy: 0.000 (S_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: 469 Temperature: 1.000000 Total energy: -2614.349528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.349528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.349528 (E_RNA) where: Base-Base interactions energy: -1864.292 where: short stacking energy: -735.093 Base-Backbone interact. energy: -2.939 local terms energy: -747.117649 where: bonds (distance) C4'-P energy: -110.765 bonds (distance) P-C4' energy: -153.307 flat angles C4'-P-C4' energy: -156.668 flat angles P-C4'-P energy: -109.276 tors. eta vs tors. theta energy: -217.102 Dist. restrs. and SS energy: 0.000 (S_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: 469 Temperature: 1.050000 Total energy: -2540.842204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.842204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.842204 (E_RNA) where: Base-Base interactions energy: -1796.968 where: short stacking energy: -736.094 Base-Backbone interact. energy: 1.505 local terms energy: -745.380069 where: bonds (distance) C4'-P energy: -121.655 bonds (distance) P-C4' energy: -137.595 flat angles C4'-P-C4' energy: -159.133 flat angles P-C4'-P energy: -110.912 tors. eta vs tors. theta energy: -216.086 Dist. restrs. and SS energy: 0.000 (S_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: 469 Temperature: 1.100000 Total energy: -2499.598530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.598530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.598530 (E_RNA) where: Base-Base interactions energy: -1784.899 where: short stacking energy: -708.764 Base-Backbone interact. energy: -2.495 local terms energy: -712.204738 where: bonds (distance) C4'-P energy: -111.984 bonds (distance) P-C4' energy: -138.372 flat angles C4'-P-C4' energy: -154.466 flat angles P-C4'-P energy: -106.285 tors. eta vs tors. theta energy: -201.099 Dist. restrs. and SS energy: 0.000 (S_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: 469 Temperature: 1.150000 Total energy: -2409.967076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.967076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.967076 (E_RNA) where: Base-Base interactions energy: -1688.043 where: short stacking energy: -671.924 Base-Backbone interact. energy: -1.219 local terms energy: -720.705148 where: bonds (distance) C4'-P energy: -113.053 bonds (distance) P-C4' energy: -151.694 flat angles C4'-P-C4' energy: -142.439 flat angles P-C4'-P energy: -110.172 tors. eta vs tors. theta energy: -203.346 Dist. restrs. and SS energy: 0.000 (S_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: 469 Temperature: 1.200000 Total energy: -2381.725917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.725917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.725917 (E_RNA) where: Base-Base interactions energy: -1690.750 where: short stacking energy: -688.675 Base-Backbone interact. energy: -0.252 local terms energy: -690.724175 where: bonds (distance) C4'-P energy: -98.491 bonds (distance) P-C4' energy: -139.226 flat angles C4'-P-C4' energy: -152.048 flat angles P-C4'-P energy: -97.398 tors. eta vs tors. theta energy: -203.562 Dist. restrs. and SS energy: 0.000 (S_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: 469 Temperature: 1.250000 Total energy: -2216.438991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.438991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.438991 (E_RNA) where: Base-Base interactions energy: -1512.885 where: short stacking energy: -612.442 Base-Backbone interact. energy: -2.506 local terms energy: -701.047376 where: bonds (distance) C4'-P energy: -104.803 bonds (distance) P-C4' energy: -147.227 flat angles C4'-P-C4' energy: -153.175 flat angles P-C4'-P energy: -112.271 tors. eta vs tors. theta energy: -183.572 Dist. restrs. and SS energy: 0.000 (S_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: 469 Temperature: 1.300000 Total energy: -2222.724618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.724618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.724618 (E_RNA) where: Base-Base interactions energy: -1542.919 where: short stacking energy: -630.959 Base-Backbone interact. energy: -2.102 local terms energy: -677.703865 where: bonds (distance) C4'-P energy: -108.890 bonds (distance) P-C4' energy: -145.787 flat angles C4'-P-C4' energy: -147.243 flat angles P-C4'-P energy: -92.426 tors. eta vs tors. theta energy: -183.357 Dist. restrs. and SS energy: 0.000 (S_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: 469 Temperature: 1.350000 Total energy: -2040.066459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.066459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.066459 (E_RNA) where: Base-Base interactions energy: -1405.056 where: short stacking energy: -581.064 Base-Backbone interact. energy: -0.767 local terms energy: -634.243738 where: bonds (distance) C4'-P energy: -115.876 bonds (distance) P-C4' energy: -132.800 flat angles C4'-P-C4' energy: -136.268 flat angles P-C4'-P energy: -84.727 tors. eta vs tors. theta energy: -164.573 Dist. restrs. and SS energy: 0.000 (S_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: 470 Temperature: 0.900000 Total energy: -2730.248780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.248780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.248780 (E_RNA) where: Base-Base interactions energy: -1950.122 where: short stacking energy: -776.939 Base-Backbone interact. energy: -2.165 local terms energy: -777.961953 where: bonds (distance) C4'-P energy: -127.411 bonds (distance) P-C4' energy: -154.551 flat angles C4'-P-C4' energy: -153.497 flat angles P-C4'-P energy: -110.017 tors. eta vs tors. theta energy: -232.486 Dist. restrs. and SS energy: 0.000 (S_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: 470 Temperature: 0.950000 Total energy: -2681.447087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.447087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.447087 (E_RNA) where: Base-Base interactions energy: -1915.029 where: short stacking energy: -767.731 Base-Backbone interact. energy: -1.953 local terms energy: -764.465440 where: bonds (distance) C4'-P energy: -128.738 bonds (distance) P-C4' energy: -151.422 flat angles C4'-P-C4' energy: -155.474 flat angles P-C4'-P energy: -104.789 tors. eta vs tors. theta energy: -224.041 Dist. restrs. and SS energy: 0.000 (S_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: 470 Temperature: 1.000000 Total energy: -2607.317210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.317210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.317210 (E_RNA) where: Base-Base interactions energy: -1871.513 where: short stacking energy: -729.830 Base-Backbone interact. energy: -3.724 local terms energy: -732.080855 where: bonds (distance) C4'-P energy: -108.802 bonds (distance) P-C4' energy: -143.600 flat angles C4'-P-C4' energy: -158.427 flat angles P-C4'-P energy: -102.839 tors. eta vs tors. theta energy: -218.413 Dist. restrs. and SS energy: 0.000 (S_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: 470 Temperature: 1.050000 Total energy: -2543.138795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.138795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.138795 (E_RNA) where: Base-Base interactions energy: -1798.575 where: short stacking energy: -733.941 Base-Backbone interact. energy: -1.736 local terms energy: -742.827454 where: bonds (distance) C4'-P energy: -116.263 bonds (distance) P-C4' energy: -152.437 flat angles C4'-P-C4' energy: -147.002 flat angles P-C4'-P energy: -108.660 tors. eta vs tors. theta energy: -218.465 Dist. restrs. and SS energy: 0.000 (S_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: 470 Temperature: 1.100000 Total energy: -2512.449967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.449967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.449967 (E_RNA) where: Base-Base interactions energy: -1768.912 where: short stacking energy: -714.363 Base-Backbone interact. energy: -0.373 local terms energy: -743.165627 where: bonds (distance) C4'-P energy: -130.283 bonds (distance) P-C4' energy: -144.757 flat angles C4'-P-C4' energy: -151.405 flat angles P-C4'-P energy: -102.105 tors. eta vs tors. theta energy: -214.616 Dist. restrs. and SS energy: 0.000 (S_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: 470 Temperature: 1.150000 Total energy: -2437.170757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.170757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.170757 (E_RNA) where: Base-Base interactions energy: -1719.109 where: short stacking energy: -700.810 Base-Backbone interact. energy: -1.462 local terms energy: -716.600108 where: bonds (distance) C4'-P energy: -114.477 bonds (distance) P-C4' energy: -146.640 flat angles C4'-P-C4' energy: -153.954 flat angles P-C4'-P energy: -99.815 tors. eta vs tors. theta energy: -201.714 Dist. restrs. and SS energy: 0.000 (S_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: 470 Temperature: 1.200000 Total energy: -2386.821211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.821211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.821211 (E_RNA) where: Base-Base interactions energy: -1680.272 where: short stacking energy: -669.541 Base-Backbone interact. energy: -1.557 local terms energy: -704.992311 where: bonds (distance) C4'-P energy: -109.777 bonds (distance) P-C4' energy: -140.829 flat angles C4'-P-C4' energy: -152.461 flat angles P-C4'-P energy: -99.788 tors. eta vs tors. theta energy: -202.137 Dist. restrs. and SS energy: 0.000 (S_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: 470 Temperature: 1.250000 Total energy: -2255.945747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.945747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.945747 (E_RNA) where: Base-Base interactions energy: -1573.388 where: short stacking energy: -649.051 Base-Backbone interact. energy: 0.060 local terms energy: -682.617451 where: bonds (distance) C4'-P energy: -116.800 bonds (distance) P-C4' energy: -137.839 flat angles C4'-P-C4' energy: -146.026 flat angles P-C4'-P energy: -97.438 tors. eta vs tors. theta energy: -184.514 Dist. restrs. and SS energy: 0.000 (S_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: 470 Temperature: 1.300000 Total energy: -2260.461331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.461331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.461331 (E_RNA) where: Base-Base interactions energy: -1584.396 where: short stacking energy: -634.287 Base-Backbone interact. energy: -1.838 local terms energy: -674.227011 where: bonds (distance) C4'-P energy: -109.323 bonds (distance) P-C4' energy: -147.145 flat angles C4'-P-C4' energy: -147.700 flat angles P-C4'-P energy: -97.694 tors. eta vs tors. theta energy: -172.365 Dist. restrs. and SS energy: 0.000 (S_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: 470 Temperature: 1.350000 Total energy: -2055.096859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.096859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.096859 (E_RNA) where: Base-Base interactions energy: -1436.650 where: short stacking energy: -599.036 Base-Backbone interact. energy: -1.014 local terms energy: -617.432416 where: bonds (distance) C4'-P energy: -106.035 bonds (distance) P-C4' energy: -125.787 flat angles C4'-P-C4' energy: -135.030 flat angles P-C4'-P energy: -82.908 tors. eta vs tors. theta energy: -167.672 Dist. restrs. and SS energy: 0.000 (S_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: 471 Temperature: 0.900000 Total energy: -2726.723967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.723967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.723967 (E_RNA) where: Base-Base interactions energy: -1947.805 where: short stacking energy: -778.365 Base-Backbone interact. energy: -3.222 local terms energy: -775.696688 where: bonds (distance) C4'-P energy: -115.299 bonds (distance) P-C4' energy: -163.201 flat angles C4'-P-C4' energy: -162.416 flat angles P-C4'-P energy: -100.779 tors. eta vs tors. theta energy: -234.001 Dist. restrs. and SS energy: 0.000 (S_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: 471 Temperature: 0.950000 Total energy: -2667.918653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.918653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.918653 (E_RNA) where: Base-Base interactions energy: -1907.967 where: short stacking energy: -752.014 Base-Backbone interact. energy: -1.941 local terms energy: -758.011022 where: bonds (distance) C4'-P energy: -118.877 bonds (distance) P-C4' energy: -148.867 flat angles C4'-P-C4' energy: -159.394 flat angles P-C4'-P energy: -110.374 tors. eta vs tors. theta energy: -220.499 Dist. restrs. and SS energy: 0.000 (S_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: 471 Temperature: 1.000000 Total energy: -2623.077607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.077607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.077607 (E_RNA) where: Base-Base interactions energy: -1879.029 where: short stacking energy: -744.098 Base-Backbone interact. energy: 3.071 local terms energy: -747.120086 where: bonds (distance) C4'-P energy: -124.144 bonds (distance) P-C4' energy: -142.145 flat angles C4'-P-C4' energy: -158.347 flat angles P-C4'-P energy: -101.960 tors. eta vs tors. theta energy: -220.523 Dist. restrs. and SS energy: 0.000 (S_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: 471 Temperature: 1.050000 Total energy: -2555.526907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.526907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.526907 (E_RNA) where: Base-Base interactions energy: -1818.558 where: short stacking energy: -741.866 Base-Backbone interact. energy: -0.591 local terms energy: -736.377982 where: bonds (distance) C4'-P energy: -106.089 bonds (distance) P-C4' energy: -147.459 flat angles C4'-P-C4' energy: -158.375 flat angles P-C4'-P energy: -109.507 tors. eta vs tors. theta energy: -214.948 Dist. restrs. and SS energy: 0.000 (S_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: 471 Temperature: 1.100000 Total energy: -2490.040398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.040398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.040398 (E_RNA) where: Base-Base interactions energy: -1777.273 where: short stacking energy: -718.192 Base-Backbone interact. energy: 1.425 local terms energy: -714.192761 where: bonds (distance) C4'-P energy: -115.843 bonds (distance) P-C4' energy: -131.296 flat angles C4'-P-C4' energy: -146.123 flat angles P-C4'-P energy: -108.550 tors. eta vs tors. theta energy: -212.381 Dist. restrs. and SS energy: 0.000 (S_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: 471 Temperature: 1.150000 Total energy: -2437.284263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.284263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.284263 (E_RNA) where: Base-Base interactions energy: -1709.875 where: short stacking energy: -696.448 Base-Backbone interact. energy: -1.584 local terms energy: -725.825675 where: bonds (distance) C4'-P energy: -114.733 bonds (distance) P-C4' energy: -147.292 flat angles C4'-P-C4' energy: -153.172 flat angles P-C4'-P energy: -105.309 tors. eta vs tors. theta energy: -205.320 Dist. restrs. and SS energy: 0.000 (S_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: 471 Temperature: 1.200000 Total energy: -2397.453783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.453783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.453783 (E_RNA) where: Base-Base interactions energy: -1688.099 where: short stacking energy: -681.067 Base-Backbone interact. energy: 0.130 local terms energy: -709.485014 where: bonds (distance) C4'-P energy: -104.895 bonds (distance) P-C4' energy: -153.963 flat angles C4'-P-C4' energy: -144.763 flat angles P-C4'-P energy: -98.006 tors. eta vs tors. theta energy: -207.859 Dist. restrs. and SS energy: 0.000 (S_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: 471 Temperature: 1.250000 Total energy: -2284.192397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.192397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.192397 (E_RNA) where: Base-Base interactions energy: -1587.018 where: short stacking energy: -656.300 Base-Backbone interact. energy: -1.121 local terms energy: -696.053819 where: bonds (distance) C4'-P energy: -119.182 bonds (distance) P-C4' energy: -139.973 flat angles C4'-P-C4' energy: -143.873 flat angles P-C4'-P energy: -97.235 tors. eta vs tors. theta energy: -195.792 Dist. restrs. and SS energy: 0.000 (S_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: 471 Temperature: 1.300000 Total energy: -2252.739031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.739031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.739031 (E_RNA) where: Base-Base interactions energy: -1563.750 where: short stacking energy: -626.621 Base-Backbone interact. energy: -2.718 local terms energy: -686.271348 where: bonds (distance) C4'-P energy: -110.967 bonds (distance) P-C4' energy: -145.030 flat angles C4'-P-C4' energy: -149.181 flat angles P-C4'-P energy: -81.634 tors. eta vs tors. theta energy: -199.459 Dist. restrs. and SS energy: 0.000 (S_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: 471 Temperature: 1.350000 Total energy: -2015.056415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.056415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.056415 (E_RNA) where: Base-Base interactions energy: -1376.745 where: short stacking energy: -560.965 Base-Backbone interact. energy: -2.268 local terms energy: -636.042763 where: bonds (distance) C4'-P energy: -110.210 bonds (distance) P-C4' energy: -140.926 flat angles C4'-P-C4' energy: -136.481 flat angles P-C4'-P energy: -99.484 tors. eta vs tors. theta energy: -148.942 Dist. restrs. and SS energy: 0.000 (S_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: 472 Temperature: 0.900000 Total energy: -2723.840361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.840361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.840361 (E_RNA) where: Base-Base interactions energy: -1928.231 where: short stacking energy: -778.216 Base-Backbone interact. energy: -3.640 local terms energy: -791.969908 where: bonds (distance) C4'-P energy: -126.978 bonds (distance) P-C4' energy: -151.362 flat angles C4'-P-C4' energy: -160.584 flat angles P-C4'-P energy: -118.931 tors. eta vs tors. theta energy: -234.115 Dist. restrs. and SS energy: 0.000 (S_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: 472 Temperature: 0.950000 Total energy: -2661.273512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.273512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.273512 (E_RNA) where: Base-Base interactions energy: -1893.025 where: short stacking energy: -735.154 Base-Backbone interact. energy: -3.564 local terms energy: -764.684142 where: bonds (distance) C4'-P energy: -127.869 bonds (distance) P-C4' energy: -135.679 flat angles C4'-P-C4' energy: -162.762 flat angles P-C4'-P energy: -118.465 tors. eta vs tors. theta energy: -219.908 Dist. restrs. and SS energy: 0.000 (S_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: 472 Temperature: 1.000000 Total energy: -2604.033324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.033324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.033324 (E_RNA) where: Base-Base interactions energy: -1873.994 where: short stacking energy: -747.832 Base-Backbone interact. energy: -3.556 local terms energy: -726.483447 where: bonds (distance) C4'-P energy: -116.948 bonds (distance) P-C4' energy: -139.242 flat angles C4'-P-C4' energy: -154.773 flat angles P-C4'-P energy: -95.121 tors. eta vs tors. theta energy: -220.400 Dist. restrs. and SS energy: 0.000 (S_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: 472 Temperature: 1.050000 Total energy: -2551.279331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.279331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.279331 (E_RNA) where: Base-Base interactions energy: -1806.701 where: short stacking energy: -732.706 Base-Backbone interact. energy: -1.509 local terms energy: -743.069429 where: bonds (distance) C4'-P energy: -112.307 bonds (distance) P-C4' energy: -148.596 flat angles C4'-P-C4' energy: -157.011 flat angles P-C4'-P energy: -107.603 tors. eta vs tors. theta energy: -217.553 Dist. restrs. and SS energy: 0.000 (S_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: 472 Temperature: 1.100000 Total energy: -2464.804283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.804283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.804283 (E_RNA) where: Base-Base interactions energy: -1734.038 where: short stacking energy: -698.801 Base-Backbone interact. energy: 0.993 local terms energy: -731.758703 where: bonds (distance) C4'-P energy: -119.022 bonds (distance) P-C4' energy: -146.415 flat angles C4'-P-C4' energy: -154.444 flat angles P-C4'-P energy: -109.443 tors. eta vs tors. theta energy: -202.436 Dist. restrs. and SS energy: 0.000 (S_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: 472 Temperature: 1.150000 Total energy: -2408.218755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.218755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.218755 (E_RNA) where: Base-Base interactions energy: -1699.499 where: short stacking energy: -697.901 Base-Backbone interact. energy: 1.320 local terms energy: -710.039728 where: bonds (distance) C4'-P energy: -99.906 bonds (distance) P-C4' energy: -144.915 flat angles C4'-P-C4' energy: -149.008 flat angles P-C4'-P energy: -108.810 tors. eta vs tors. theta energy: -207.401 Dist. restrs. and SS energy: 0.000 (S_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: 472 Temperature: 1.200000 Total energy: -2372.134571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.134571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.134571 (E_RNA) where: Base-Base interactions energy: -1684.494 where: short stacking energy: -666.898 Base-Backbone interact. energy: -1.663 local terms energy: -685.976988 where: bonds (distance) C4'-P energy: -102.976 bonds (distance) P-C4' energy: -134.889 flat angles C4'-P-C4' energy: -154.180 flat angles P-C4'-P energy: -94.944 tors. eta vs tors. theta energy: -198.988 Dist. restrs. and SS energy: 0.000 (S_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: 472 Temperature: 1.250000 Total energy: -2256.352850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.352850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.352850 (E_RNA) where: Base-Base interactions energy: -1572.934 where: short stacking energy: -637.316 Base-Backbone interact. energy: -0.945 local terms energy: -682.474397 where: bonds (distance) C4'-P energy: -110.280 bonds (distance) P-C4' energy: -136.369 flat angles C4'-P-C4' energy: -144.690 flat angles P-C4'-P energy: -103.626 tors. eta vs tors. theta energy: -187.508 Dist. restrs. and SS energy: 0.000 (S_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: 472 Temperature: 1.300000 Total energy: -2245.680636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.680636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.680636 (E_RNA) where: Base-Base interactions energy: -1589.657 where: short stacking energy: -652.391 Base-Backbone interact. energy: 0.050 local terms energy: -656.073924 where: bonds (distance) C4'-P energy: -105.595 bonds (distance) P-C4' energy: -135.888 flat angles C4'-P-C4' energy: -139.161 flat angles P-C4'-P energy: -95.213 tors. eta vs tors. theta energy: -180.217 Dist. restrs. and SS energy: 0.000 (S_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: 472 Temperature: 1.350000 Total energy: -2020.711068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.711068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.711068 (E_RNA) where: Base-Base interactions energy: -1392.287 where: short stacking energy: -582.706 Base-Backbone interact. energy: 0.974 local terms energy: -629.397680 where: bonds (distance) C4'-P energy: -101.041 bonds (distance) P-C4' energy: -130.881 flat angles C4'-P-C4' energy: -134.480 flat angles P-C4'-P energy: -102.942 tors. eta vs tors. theta energy: -160.053 Dist. restrs. and SS energy: 0.000 (S_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: 473 Temperature: 0.900000 Total energy: -2722.428753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.428753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.428753 (E_RNA) where: Base-Base interactions energy: -1940.322 where: short stacking energy: -774.646 Base-Backbone interact. energy: -1.654 local terms energy: -780.452561 where: bonds (distance) C4'-P energy: -116.338 bonds (distance) P-C4' energy: -156.206 flat angles C4'-P-C4' energy: -159.359 flat angles P-C4'-P energy: -112.990 tors. eta vs tors. theta energy: -235.559 Dist. restrs. and SS energy: 0.000 (S_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: 473 Temperature: 0.950000 Total energy: -2677.736415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.736415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.736415 (E_RNA) where: Base-Base interactions energy: -1909.060 where: short stacking energy: -757.161 Base-Backbone interact. energy: -4.425 local terms energy: -764.251515 where: bonds (distance) C4'-P energy: -118.986 bonds (distance) P-C4' energy: -156.703 flat angles C4'-P-C4' energy: -161.390 flat angles P-C4'-P energy: -107.993 tors. eta vs tors. theta energy: -219.179 Dist. restrs. and SS energy: 0.000 (S_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: 473 Temperature: 1.000000 Total energy: -2634.593638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.593638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.593638 (E_RNA) where: Base-Base interactions energy: -1884.359 where: short stacking energy: -764.148 Base-Backbone interact. energy: -3.856 local terms energy: -746.378805 where: bonds (distance) C4'-P energy: -111.516 bonds (distance) P-C4' energy: -146.829 flat angles C4'-P-C4' energy: -161.584 flat angles P-C4'-P energy: -104.252 tors. eta vs tors. theta energy: -222.198 Dist. restrs. and SS energy: 0.000 (S_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: 473 Temperature: 1.050000 Total energy: -2562.645946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.645946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.645946 (E_RNA) where: Base-Base interactions energy: -1807.850 where: short stacking energy: -713.581 Base-Backbone interact. energy: -1.081 local terms energy: -753.714373 where: bonds (distance) C4'-P energy: -115.182 bonds (distance) P-C4' energy: -153.028 flat angles C4'-P-C4' energy: -163.428 flat angles P-C4'-P energy: -101.385 tors. eta vs tors. theta energy: -220.691 Dist. restrs. and SS energy: 0.000 (S_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: 473 Temperature: 1.100000 Total energy: -2517.058631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.058631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.058631 (E_RNA) where: Base-Base interactions energy: -1805.836 where: short stacking energy: -736.332 Base-Backbone interact. energy: 7.818 local terms energy: -719.041297 where: bonds (distance) C4'-P energy: -116.013 bonds (distance) P-C4' energy: -141.214 flat angles C4'-P-C4' energy: -151.851 flat angles P-C4'-P energy: -97.104 tors. eta vs tors. theta energy: -212.860 Dist. restrs. and SS energy: 0.000 (S_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: 473 Temperature: 1.150000 Total energy: -2413.625434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.625434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.625434 (E_RNA) where: Base-Base interactions energy: -1715.101 where: short stacking energy: -698.627 Base-Backbone interact. energy: -0.698 local terms energy: -697.826900 where: bonds (distance) C4'-P energy: -111.452 bonds (distance) P-C4' energy: -131.307 flat angles C4'-P-C4' energy: -140.332 flat angles P-C4'-P energy: -107.325 tors. eta vs tors. theta energy: -207.412 Dist. restrs. and SS energy: 0.000 (S_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: 473 Temperature: 1.200000 Total energy: -2382.472187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.472187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.472187 (E_RNA) where: Base-Base interactions energy: -1685.154 where: short stacking energy: -677.105 Base-Backbone interact. energy: -0.914 local terms energy: -696.403987 where: bonds (distance) C4'-P energy: -96.188 bonds (distance) P-C4' energy: -138.437 flat angles C4'-P-C4' energy: -157.387 flat angles P-C4'-P energy: -103.817 tors. eta vs tors. theta energy: -200.575 Dist. restrs. and SS energy: 0.000 (S_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: 473 Temperature: 1.250000 Total energy: -2303.457447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.457447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.457447 (E_RNA) where: Base-Base interactions energy: -1625.391 where: short stacking energy: -667.836 Base-Backbone interact. energy: 0.428 local terms energy: -678.495053 where: bonds (distance) C4'-P energy: -100.969 bonds (distance) P-C4' energy: -127.667 flat angles C4'-P-C4' energy: -146.866 flat angles P-C4'-P energy: -102.708 tors. eta vs tors. theta energy: -200.285 Dist. restrs. and SS energy: 0.000 (S_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: 473 Temperature: 1.300000 Total energy: -2225.470062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.470062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.470062 (E_RNA) where: Base-Base interactions energy: -1560.664 where: short stacking energy: -639.428 Base-Backbone interact. energy: 0.364 local terms energy: -665.169614 where: bonds (distance) C4'-P energy: -100.089 bonds (distance) P-C4' energy: -129.755 flat angles C4'-P-C4' energy: -146.655 flat angles P-C4'-P energy: -98.555 tors. eta vs tors. theta energy: -190.116 Dist. restrs. and SS energy: 0.000 (S_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: 473 Temperature: 1.350000 Total energy: -2034.916152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.916152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.916152 (E_RNA) where: Base-Base interactions energy: -1433.259 where: short stacking energy: -591.274 Base-Backbone interact. energy: 0.462 local terms energy: -602.119409 where: bonds (distance) C4'-P energy: -85.523 bonds (distance) P-C4' energy: -121.687 flat angles C4'-P-C4' energy: -139.514 flat angles P-C4'-P energy: -89.408 tors. eta vs tors. theta energy: -165.987 Dist. restrs. and SS energy: 0.000 (S_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: 474 Temperature: 0.900000 Total energy: -2724.508879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.508879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.508879 (E_RNA) where: Base-Base interactions energy: -1939.402 where: short stacking energy: -769.912 Base-Backbone interact. energy: -3.292 local terms energy: -781.815044 where: bonds (distance) C4'-P energy: -129.931 bonds (distance) P-C4' energy: -151.142 flat angles C4'-P-C4' energy: -159.772 flat angles P-C4'-P energy: -112.751 tors. eta vs tors. theta energy: -228.219 Dist. restrs. and SS energy: 0.000 (S_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: 474 Temperature: 0.950000 Total energy: -2654.926730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.926730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.926730 (E_RNA) where: Base-Base interactions energy: -1879.560 where: short stacking energy: -745.324 Base-Backbone interact. energy: -6.054 local terms energy: -769.312966 where: bonds (distance) C4'-P energy: -118.756 bonds (distance) P-C4' energy: -158.011 flat angles C4'-P-C4' energy: -163.884 flat angles P-C4'-P energy: -100.724 tors. eta vs tors. theta energy: -227.938 Dist. restrs. and SS energy: 0.000 (S_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: 474 Temperature: 1.000000 Total energy: -2613.090763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.090763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.090763 (E_RNA) where: Base-Base interactions energy: -1853.283 where: short stacking energy: -755.136 Base-Backbone interact. energy: -2.841 local terms energy: -756.966593 where: bonds (distance) C4'-P energy: -121.619 bonds (distance) P-C4' energy: -153.645 flat angles C4'-P-C4' energy: -161.922 flat angles P-C4'-P energy: -98.085 tors. eta vs tors. theta energy: -221.695 Dist. restrs. and SS energy: 0.000 (S_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: 474 Temperature: 1.050000 Total energy: -2578.667119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.667119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.667119 (E_RNA) where: Base-Base interactions energy: -1817.853 where: short stacking energy: -738.199 Base-Backbone interact. energy: -0.904 local terms energy: -759.910046 where: bonds (distance) C4'-P energy: -119.235 bonds (distance) P-C4' energy: -149.549 flat angles C4'-P-C4' energy: -155.612 flat angles P-C4'-P energy: -109.159 tors. eta vs tors. theta energy: -226.355 Dist. restrs. and SS energy: 0.000 (S_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: 474 Temperature: 1.100000 Total energy: -2516.430975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.430975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.430975 (E_RNA) where: Base-Base interactions energy: -1790.991 where: short stacking energy: -734.107 Base-Backbone interact. energy: -1.647 local terms energy: -723.793633 where: bonds (distance) C4'-P energy: -102.775 bonds (distance) P-C4' energy: -143.799 flat angles C4'-P-C4' energy: -152.512 flat angles P-C4'-P energy: -107.780 tors. eta vs tors. theta energy: -216.928 Dist. restrs. and SS energy: 0.000 (S_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: 474 Temperature: 1.150000 Total energy: -2450.844624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.844624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.844624 (E_RNA) where: Base-Base interactions energy: -1727.019 where: short stacking energy: -692.953 Base-Backbone interact. energy: -1.303 local terms energy: -722.522921 where: bonds (distance) C4'-P energy: -125.213 bonds (distance) P-C4' energy: -140.486 flat angles C4'-P-C4' energy: -144.694 flat angles P-C4'-P energy: -102.872 tors. eta vs tors. theta energy: -209.258 Dist. restrs. and SS energy: 0.000 (S_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: 474 Temperature: 1.200000 Total energy: -2390.150566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.150566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.150566 (E_RNA) where: Base-Base interactions energy: -1677.668 where: short stacking energy: -697.355 Base-Backbone interact. energy: -0.886 local terms energy: -711.596279 where: bonds (distance) C4'-P energy: -99.906 bonds (distance) P-C4' energy: -143.990 flat angles C4'-P-C4' energy: -156.461 flat angles P-C4'-P energy: -102.530 tors. eta vs tors. theta energy: -208.709 Dist. restrs. and SS energy: 0.000 (S_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: 474 Temperature: 1.250000 Total energy: -2252.221611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.221611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.221611 (E_RNA) where: Base-Base interactions energy: -1563.826 where: short stacking energy: -638.359 Base-Backbone interact. energy: -1.853 local terms energy: -686.543183 where: bonds (distance) C4'-P energy: -99.689 bonds (distance) P-C4' energy: -145.017 flat angles C4'-P-C4' energy: -148.632 flat angles P-C4'-P energy: -98.996 tors. eta vs tors. theta energy: -194.209 Dist. restrs. and SS energy: 0.000 (S_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: 474 Temperature: 1.300000 Total energy: -2169.193386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.193386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.193386 (E_RNA) where: Base-Base interactions energy: -1506.311 where: short stacking energy: -611.620 Base-Backbone interact. energy: -0.061 local terms energy: -662.821057 where: bonds (distance) C4'-P energy: -124.044 bonds (distance) P-C4' energy: -135.871 flat angles C4'-P-C4' energy: -131.665 flat angles P-C4'-P energy: -96.668 tors. eta vs tors. theta energy: -174.573 Dist. restrs. and SS energy: 0.000 (S_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: 474 Temperature: 1.350000 Total energy: -2033.496315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.496315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.496315 (E_RNA) where: Base-Base interactions energy: -1411.184 where: short stacking energy: -585.471 Base-Backbone interact. energy: 1.619 local terms energy: -623.931298 where: bonds (distance) C4'-P energy: -92.447 bonds (distance) P-C4' energy: -127.305 flat angles C4'-P-C4' energy: -136.461 flat angles P-C4'-P energy: -92.435 tors. eta vs tors. theta energy: -175.284 Dist. restrs. and SS energy: 0.000 (S_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: 475 Temperature: 0.900000 Total energy: -2727.994791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.994791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.994791 (E_RNA) where: Base-Base interactions energy: -1942.301 where: short stacking energy: -768.272 Base-Backbone interact. energy: -3.165 local terms energy: -782.528477 where: bonds (distance) C4'-P energy: -121.626 bonds (distance) P-C4' energy: -159.551 flat angles C4'-P-C4' energy: -159.474 flat angles P-C4'-P energy: -114.178 tors. eta vs tors. theta energy: -227.700 Dist. restrs. and SS energy: 0.000 (S_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: 475 Temperature: 0.950000 Total energy: -2657.115686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.115686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.115686 (E_RNA) where: Base-Base interactions energy: -1897.331 where: short stacking energy: -747.097 Base-Backbone interact. energy: -1.554 local terms energy: -758.230426 where: bonds (distance) C4'-P energy: -120.730 bonds (distance) P-C4' energy: -151.929 flat angles C4'-P-C4' energy: -158.526 flat angles P-C4'-P energy: -106.135 tors. eta vs tors. theta energy: -220.910 Dist. restrs. and SS energy: 0.000 (S_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: 475 Temperature: 1.000000 Total energy: -2638.022465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.022465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.022465 (E_RNA) where: Base-Base interactions energy: -1869.019 where: short stacking energy: -762.709 Base-Backbone interact. energy: -1.974 local terms energy: -767.028678 where: bonds (distance) C4'-P energy: -115.426 bonds (distance) P-C4' energy: -156.157 flat angles C4'-P-C4' energy: -160.322 flat angles P-C4'-P energy: -113.684 tors. eta vs tors. theta energy: -221.439 Dist. restrs. and SS energy: 0.000 (S_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: 475 Temperature: 1.050000 Total energy: -2570.712084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.712084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.712084 (E_RNA) where: Base-Base interactions energy: -1805.840 where: short stacking energy: -742.342 Base-Backbone interact. energy: -1.461 local terms energy: -763.410964 where: bonds (distance) C4'-P energy: -117.791 bonds (distance) P-C4' energy: -143.476 flat angles C4'-P-C4' energy: -156.282 flat angles P-C4'-P energy: -114.237 tors. eta vs tors. theta energy: -231.626 Dist. restrs. and SS energy: 0.000 (S_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: 475 Temperature: 1.100000 Total energy: -2552.396122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.396122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.396122 (E_RNA) where: Base-Base interactions energy: -1817.654 where: short stacking energy: -726.706 Base-Backbone interact. energy: -0.884 local terms energy: -733.858325 where: bonds (distance) C4'-P energy: -114.298 bonds (distance) P-C4' energy: -143.596 flat angles C4'-P-C4' energy: -155.627 flat angles P-C4'-P energy: -106.276 tors. eta vs tors. theta energy: -214.062 Dist. restrs. and SS energy: 0.000 (S_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: 475 Temperature: 1.150000 Total energy: -2464.078416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.078416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.078416 (E_RNA) where: Base-Base interactions energy: -1734.169 where: short stacking energy: -712.256 Base-Backbone interact. energy: -1.482 local terms energy: -728.426944 where: bonds (distance) C4'-P energy: -103.653 bonds (distance) P-C4' energy: -151.992 flat angles C4'-P-C4' energy: -156.109 flat angles P-C4'-P energy: -103.101 tors. eta vs tors. theta energy: -213.572 Dist. restrs. and SS energy: 0.000 (S_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: 475 Temperature: 1.200000 Total energy: -2374.243662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.243662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.243662 (E_RNA) where: Base-Base interactions energy: -1693.943 where: short stacking energy: -690.484 Base-Backbone interact. energy: -1.349 local terms energy: -678.951303 where: bonds (distance) C4'-P energy: -103.253 bonds (distance) P-C4' energy: -143.150 flat angles C4'-P-C4' energy: -148.838 flat angles P-C4'-P energy: -87.021 tors. eta vs tors. theta energy: -196.689 Dist. restrs. and SS energy: 0.000 (S_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: 475 Temperature: 1.250000 Total energy: -2205.237525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.237525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.237525 (E_RNA) where: Base-Base interactions energy: -1567.360 where: short stacking energy: -626.899 Base-Backbone interact. energy: 0.945 local terms energy: -638.822936 where: bonds (distance) C4'-P energy: -102.027 bonds (distance) P-C4' energy: -132.899 flat angles C4'-P-C4' energy: -136.902 flat angles P-C4'-P energy: -95.487 tors. eta vs tors. theta energy: -171.507 Dist. restrs. and SS energy: 0.000 (S_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: 475 Temperature: 1.300000 Total energy: -2236.239550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.239550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.239550 (E_RNA) where: Base-Base interactions energy: -1561.474 where: short stacking energy: -634.405 Base-Backbone interact. energy: -0.617 local terms energy: -674.148521 where: bonds (distance) C4'-P energy: -95.139 bonds (distance) P-C4' energy: -132.383 flat angles C4'-P-C4' energy: -151.964 flat angles P-C4'-P energy: -104.320 tors. eta vs tors. theta energy: -190.343 Dist. restrs. and SS energy: 0.000 (S_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: 475 Temperature: 1.350000 Total energy: -2081.589999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.589999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.589999 (E_RNA) where: Base-Base interactions energy: -1460.548 where: short stacking energy: -606.114 Base-Backbone interact. energy: -1.204 local terms energy: -619.838020 where: bonds (distance) C4'-P energy: -82.354 bonds (distance) P-C4' energy: -142.385 flat angles C4'-P-C4' energy: -139.161 flat angles P-C4'-P energy: -90.232 tors. eta vs tors. theta energy: -165.706 Dist. restrs. and SS energy: 0.000 (S_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: 476 Temperature: 0.900000 Total energy: -2730.500488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.500488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.500488 (E_RNA) where: Base-Base interactions energy: -1946.579 where: short stacking energy: -762.962 Base-Backbone interact. energy: -1.874 local terms energy: -782.047402 where: bonds (distance) C4'-P energy: -112.871 bonds (distance) P-C4' energy: -158.372 flat angles C4'-P-C4' energy: -164.421 flat angles P-C4'-P energy: -114.294 tors. eta vs tors. theta energy: -232.089 Dist. restrs. and SS energy: 0.000 (S_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: 476 Temperature: 0.950000 Total energy: -2667.945075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.945075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.945075 (E_RNA) where: Base-Base interactions energy: -1907.854 where: short stacking energy: -755.666 Base-Backbone interact. energy: 1.472 local terms energy: -761.563660 where: bonds (distance) C4'-P energy: -122.419 bonds (distance) P-C4' energy: -141.361 flat angles C4'-P-C4' energy: -160.596 flat angles P-C4'-P energy: -112.242 tors. eta vs tors. theta energy: -224.945 Dist. restrs. and SS energy: 0.000 (S_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: 476 Temperature: 1.000000 Total energy: -2610.624765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.624765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.624765 (E_RNA) where: Base-Base interactions energy: -1859.131 where: short stacking energy: -747.649 Base-Backbone interact. energy: 1.742 local terms energy: -753.235713 where: bonds (distance) C4'-P energy: -111.874 bonds (distance) P-C4' energy: -153.354 flat angles C4'-P-C4' energy: -162.692 flat angles P-C4'-P energy: -104.127 tors. eta vs tors. theta energy: -221.189 Dist. restrs. and SS energy: 0.000 (S_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: 476 Temperature: 1.050000 Total energy: -2568.097417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.097417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.097417 (E_RNA) where: Base-Base interactions energy: -1816.633 where: short stacking energy: -746.288 Base-Backbone interact. energy: -0.560 local terms energy: -750.903767 where: bonds (distance) C4'-P energy: -114.200 bonds (distance) P-C4' energy: -150.514 flat angles C4'-P-C4' energy: -150.809 flat angles P-C4'-P energy: -107.108 tors. eta vs tors. theta energy: -228.273 Dist. restrs. and SS energy: 0.000 (S_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: 476 Temperature: 1.100000 Total energy: -2488.279054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.279054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.279054 (E_RNA) where: Base-Base interactions energy: -1741.624 where: short stacking energy: -705.812 Base-Backbone interact. energy: -1.840 local terms energy: -744.814831 where: bonds (distance) C4'-P energy: -112.310 bonds (distance) P-C4' energy: -155.068 flat angles C4'-P-C4' energy: -152.269 flat angles P-C4'-P energy: -108.348 tors. eta vs tors. theta energy: -216.820 Dist. restrs. and SS energy: 0.000 (S_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: 476 Temperature: 1.150000 Total energy: -2480.165899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.165899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.165899 (E_RNA) where: Base-Base interactions energy: -1765.430 where: short stacking energy: -699.782 Base-Backbone interact. energy: -2.083 local terms energy: -712.653067 where: bonds (distance) C4'-P energy: -112.556 bonds (distance) P-C4' energy: -134.020 flat angles C4'-P-C4' energy: -154.688 flat angles P-C4'-P energy: -106.530 tors. eta vs tors. theta energy: -204.859 Dist. restrs. and SS energy: 0.000 (S_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: 476 Temperature: 1.200000 Total energy: -2393.270404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.270404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.270404 (E_RNA) where: Base-Base interactions energy: -1688.528 where: short stacking energy: -690.724 Base-Backbone interact. energy: -1.988 local terms energy: -702.755235 where: bonds (distance) C4'-P energy: -101.053 bonds (distance) P-C4' energy: -138.611 flat angles C4'-P-C4' energy: -159.025 flat angles P-C4'-P energy: -104.380 tors. eta vs tors. theta energy: -199.688 Dist. restrs. and SS energy: 0.000 (S_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: 476 Temperature: 1.250000 Total energy: -2195.160046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.160046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.160046 (E_RNA) where: Base-Base interactions energy: -1521.464 where: short stacking energy: -629.755 Base-Backbone interact. energy: -2.522 local terms energy: -671.174115 where: bonds (distance) C4'-P energy: -119.491 bonds (distance) P-C4' energy: -133.516 flat angles C4'-P-C4' energy: -130.375 flat angles P-C4'-P energy: -104.292 tors. eta vs tors. theta energy: -183.500 Dist. restrs. and SS energy: 0.000 (S_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: 476 Temperature: 1.300000 Total energy: -2202.191638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.191638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.191638 (E_RNA) where: Base-Base interactions energy: -1534.549 where: short stacking energy: -642.606 Base-Backbone interact. energy: -1.842 local terms energy: -665.800583 where: bonds (distance) C4'-P energy: -104.457 bonds (distance) P-C4' energy: -139.750 flat angles C4'-P-C4' energy: -146.118 flat angles P-C4'-P energy: -96.339 tors. eta vs tors. theta energy: -179.137 Dist. restrs. and SS energy: 0.000 (S_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: 476 Temperature: 1.350000 Total energy: -2125.969288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.969288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.969288 (E_RNA) where: Base-Base interactions energy: -1478.063 where: short stacking energy: -595.665 Base-Backbone interact. energy: -2.077 local terms energy: -645.828782 where: bonds (distance) C4'-P energy: -102.346 bonds (distance) P-C4' energy: -135.767 flat angles C4'-P-C4' energy: -145.719 flat angles P-C4'-P energy: -94.485 tors. eta vs tors. theta energy: -167.511 Dist. restrs. and SS energy: 0.000 (S_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: 477 Temperature: 0.900000 Total energy: -2738.548716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.548716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.548716 (E_RNA) where: Base-Base interactions energy: -1951.658 where: short stacking energy: -776.861 Base-Backbone interact. energy: -0.694 local terms energy: -786.196342 where: bonds (distance) C4'-P energy: -125.534 bonds (distance) P-C4' energy: -152.529 flat angles C4'-P-C4' energy: -160.248 flat angles P-C4'-P energy: -120.835 tors. eta vs tors. theta energy: -227.050 Dist. restrs. and SS energy: 0.000 (S_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: 477 Temperature: 0.950000 Total energy: -2672.715425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.715425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.715425 (E_RNA) where: Base-Base interactions energy: -1910.987 where: short stacking energy: -768.757 Base-Backbone interact. energy: 2.282 local terms energy: -764.009937 where: bonds (distance) C4'-P energy: -117.004 bonds (distance) P-C4' energy: -155.761 flat angles C4'-P-C4' energy: -157.297 flat angles P-C4'-P energy: -109.390 tors. eta vs tors. theta energy: -224.559 Dist. restrs. and SS energy: 0.000 (S_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: 477 Temperature: 1.000000 Total energy: -2622.116613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.116613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.116613 (E_RNA) where: Base-Base interactions energy: -1860.667 where: short stacking energy: -750.601 Base-Backbone interact. energy: -1.299 local terms energy: -760.150248 where: bonds (distance) C4'-P energy: -119.427 bonds (distance) P-C4' energy: -152.422 flat angles C4'-P-C4' energy: -162.939 flat angles P-C4'-P energy: -100.292 tors. eta vs tors. theta energy: -225.071 Dist. restrs. and SS energy: 0.000 (S_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: 477 Temperature: 1.050000 Total energy: -2573.613554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.613554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.613554 (E_RNA) where: Base-Base interactions energy: -1831.219 where: short stacking energy: -738.350 Base-Backbone interact. energy: -1.561 local terms energy: -740.833249 where: bonds (distance) C4'-P energy: -104.324 bonds (distance) P-C4' energy: -154.322 flat angles C4'-P-C4' energy: -149.599 flat angles P-C4'-P energy: -107.630 tors. eta vs tors. theta energy: -224.958 Dist. restrs. and SS energy: 0.000 (S_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: 477 Temperature: 1.100000 Total energy: -2470.333079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.333079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.333079 (E_RNA) where: Base-Base interactions energy: -1750.292 where: short stacking energy: -721.703 Base-Backbone interact. energy: -2.438 local terms energy: -717.603612 where: bonds (distance) C4'-P energy: -107.051 bonds (distance) P-C4' energy: -142.260 flat angles C4'-P-C4' energy: -150.066 flat angles P-C4'-P energy: -104.039 tors. eta vs tors. theta energy: -214.189 Dist. restrs. and SS energy: 0.000 (S_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: 477 Temperature: 1.150000 Total energy: -2477.751903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.751903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.751903 (E_RNA) where: Base-Base interactions energy: -1757.611 where: short stacking energy: -713.180 Base-Backbone interact. energy: -1.751 local terms energy: -718.389517 where: bonds (distance) C4'-P energy: -105.484 bonds (distance) P-C4' energy: -138.779 flat angles C4'-P-C4' energy: -158.196 flat angles P-C4'-P energy: -106.744 tors. eta vs tors. theta energy: -209.186 Dist. restrs. and SS energy: 0.000 (S_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: 477 Temperature: 1.200000 Total energy: -2403.512679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.512679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.512679 (E_RNA) where: Base-Base interactions energy: -1705.404 where: short stacking energy: -686.691 Base-Backbone interact. energy: -2.760 local terms energy: -695.348646 where: bonds (distance) C4'-P energy: -109.981 bonds (distance) P-C4' energy: -130.422 flat angles C4'-P-C4' energy: -152.131 flat angles P-C4'-P energy: -99.710 tors. eta vs tors. theta energy: -203.104 Dist. restrs. and SS energy: 0.000 (S_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: 477 Temperature: 1.250000 Total energy: -2259.238539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.238539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.238539 (E_RNA) where: Base-Base interactions energy: -1578.383 where: short stacking energy: -642.619 Base-Backbone interact. energy: -0.569 local terms energy: -680.286158 where: bonds (distance) C4'-P energy: -114.177 bonds (distance) P-C4' energy: -134.383 flat angles C4'-P-C4' energy: -146.843 flat angles P-C4'-P energy: -90.920 tors. eta vs tors. theta energy: -193.963 Dist. restrs. and SS energy: 0.000 (S_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: 477 Temperature: 1.300000 Total energy: -2198.155346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.155346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.155346 (E_RNA) where: Base-Base interactions energy: -1549.339 where: short stacking energy: -624.396 Base-Backbone interact. energy: -4.596 local terms energy: -644.220236 where: bonds (distance) C4'-P energy: -102.673 bonds (distance) P-C4' energy: -129.175 flat angles C4'-P-C4' energy: -133.945 flat angles P-C4'-P energy: -104.553 tors. eta vs tors. theta energy: -173.874 Dist. restrs. and SS energy: 0.000 (S_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: 477 Temperature: 1.350000 Total energy: -2122.994887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.994887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.994887 (E_RNA) where: Base-Base interactions energy: -1518.811 where: short stacking energy: -637.128 Base-Backbone interact. energy: -1.225 local terms energy: -602.958747 where: bonds (distance) C4'-P energy: -105.744 bonds (distance) P-C4' energy: -115.503 flat angles C4'-P-C4' energy: -124.385 flat angles P-C4'-P energy: -78.177 tors. eta vs tors. theta energy: -179.151 Dist. restrs. and SS energy: 0.000 (S_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: 478 Temperature: 0.900000 Total energy: -2721.806798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.806798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.806798 (E_RNA) where: Base-Base interactions energy: -1934.580 where: short stacking energy: -780.151 Base-Backbone interact. energy: 1.388 local terms energy: -788.614678 where: bonds (distance) C4'-P energy: -128.072 bonds (distance) P-C4' energy: -149.245 flat angles C4'-P-C4' energy: -161.174 flat angles P-C4'-P energy: -115.795 tors. eta vs tors. theta energy: -234.328 Dist. restrs. and SS energy: 0.000 (S_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: 478 Temperature: 0.950000 Total energy: -2675.890872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.890872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.890872 (E_RNA) where: Base-Base interactions energy: -1889.119 where: short stacking energy: -763.852 Base-Backbone interact. energy: -1.169 local terms energy: -785.602746 where: bonds (distance) C4'-P energy: -127.732 bonds (distance) P-C4' energy: -145.640 flat angles C4'-P-C4' energy: -162.683 flat angles P-C4'-P energy: -118.852 tors. eta vs tors. theta energy: -230.695 Dist. restrs. and SS energy: 0.000 (S_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: 478 Temperature: 1.000000 Total energy: -2614.455587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.455587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.455587 (E_RNA) where: Base-Base interactions energy: -1885.525 where: short stacking energy: -760.254 Base-Backbone interact. energy: -2.624 local terms energy: -726.306986 where: bonds (distance) C4'-P energy: -107.624 bonds (distance) P-C4' energy: -143.409 flat angles C4'-P-C4' energy: -148.072 flat angles P-C4'-P energy: -105.514 tors. eta vs tors. theta energy: -221.688 Dist. restrs. and SS energy: 0.000 (S_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: 478 Temperature: 1.050000 Total energy: -2553.099420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.099420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.099420 (E_RNA) where: Base-Base interactions energy: -1807.659 where: short stacking energy: -733.638 Base-Backbone interact. energy: -1.741 local terms energy: -743.699899 where: bonds (distance) C4'-P energy: -109.911 bonds (distance) P-C4' energy: -154.084 flat angles C4'-P-C4' energy: -159.413 flat angles P-C4'-P energy: -99.447 tors. eta vs tors. theta energy: -220.844 Dist. restrs. and SS energy: 0.000 (S_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: 478 Temperature: 1.100000 Total energy: -2476.437695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.437695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.437695 (E_RNA) where: Base-Base interactions energy: -1758.297 where: short stacking energy: -714.910 Base-Backbone interact. energy: -1.890 local terms energy: -716.250919 where: bonds (distance) C4'-P energy: -104.508 bonds (distance) P-C4' energy: -147.418 flat angles C4'-P-C4' energy: -153.332 flat angles P-C4'-P energy: -105.356 tors. eta vs tors. theta energy: -205.636 Dist. restrs. and SS energy: 0.000 (S_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: 478 Temperature: 1.150000 Total energy: -2407.089354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.089354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.089354 (E_RNA) where: Base-Base interactions energy: -1709.824 where: short stacking energy: -680.905 Base-Backbone interact. energy: -0.106 local terms energy: -697.159055 where: bonds (distance) C4'-P energy: -111.607 bonds (distance) P-C4' energy: -134.700 flat angles C4'-P-C4' energy: -146.630 flat angles P-C4'-P energy: -96.967 tors. eta vs tors. theta energy: -207.255 Dist. restrs. and SS energy: 0.000 (S_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: 478 Temperature: 1.200000 Total energy: -2367.191437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.191437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.191437 (E_RNA) where: Base-Base interactions energy: -1674.600 where: short stacking energy: -699.535 Base-Backbone interact. energy: 1.679 local terms energy: -694.270047 where: bonds (distance) C4'-P energy: -102.422 bonds (distance) P-C4' energy: -154.860 flat angles C4'-P-C4' energy: -146.202 flat angles P-C4'-P energy: -89.595 tors. eta vs tors. theta energy: -201.191 Dist. restrs. and SS energy: 0.000 (S_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: 478 Temperature: 1.250000 Total energy: -2276.509852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.509852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.509852 (E_RNA) where: Base-Base interactions energy: -1576.813 where: short stacking energy: -648.494 Base-Backbone interact. energy: 1.177 local terms energy: -700.873389 where: bonds (distance) C4'-P energy: -115.132 bonds (distance) P-C4' energy: -129.290 flat angles C4'-P-C4' energy: -148.747 flat angles P-C4'-P energy: -109.501 tors. eta vs tors. theta energy: -198.204 Dist. restrs. and SS energy: 0.000 (S_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: 478 Temperature: 1.300000 Total energy: -2181.703167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.703167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.703167 (E_RNA) where: Base-Base interactions energy: -1518.807 where: short stacking energy: -612.664 Base-Backbone interact. energy: 0.024 local terms energy: -662.920592 where: bonds (distance) C4'-P energy: -108.881 bonds (distance) P-C4' energy: -149.058 flat angles C4'-P-C4' energy: -137.534 flat angles P-C4'-P energy: -89.299 tors. eta vs tors. theta energy: -178.148 Dist. restrs. and SS energy: 0.000 (S_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: 478 Temperature: 1.350000 Total energy: -2086.722309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.722309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.722309 (E_RNA) where: Base-Base interactions energy: -1448.585 where: short stacking energy: -598.326 Base-Backbone interact. energy: -2.145 local terms energy: -635.991987 where: bonds (distance) C4'-P energy: -100.951 bonds (distance) P-C4' energy: -119.156 flat angles C4'-P-C4' energy: -145.584 flat angles P-C4'-P energy: -95.835 tors. eta vs tors. theta energy: -174.465 Dist. restrs. and SS energy: 0.000 (S_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: 479 Temperature: 0.900000 Total energy: -2732.413835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.413835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.413835 (E_RNA) where: Base-Base interactions energy: -1928.448 where: short stacking energy: -766.099 Base-Backbone interact. energy: -2.318 local terms energy: -801.647738 where: bonds (distance) C4'-P energy: -136.164 bonds (distance) P-C4' energy: -158.091 flat angles C4'-P-C4' energy: -164.584 flat angles P-C4'-P energy: -112.100 tors. eta vs tors. theta energy: -230.710 Dist. restrs. and SS energy: 0.000 (S_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: 479 Temperature: 0.950000 Total energy: -2688.801166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.801166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.801166 (E_RNA) where: Base-Base interactions energy: -1919.964 where: short stacking energy: -757.977 Base-Backbone interact. energy: -4.375 local terms energy: -764.462213 where: bonds (distance) C4'-P energy: -123.723 bonds (distance) P-C4' energy: -144.598 flat angles C4'-P-C4' energy: -158.095 flat angles P-C4'-P energy: -111.419 tors. eta vs tors. theta energy: -226.627 Dist. restrs. and SS energy: 0.000 (S_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: 479 Temperature: 1.000000 Total energy: -2602.400591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.400591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.400591 (E_RNA) where: Base-Base interactions energy: -1854.749 where: short stacking energy: -743.592 Base-Backbone interact. energy: -1.192 local terms energy: -746.459144 where: bonds (distance) C4'-P energy: -114.830 bonds (distance) P-C4' energy: -142.317 flat angles C4'-P-C4' energy: -156.748 flat angles P-C4'-P energy: -110.343 tors. eta vs tors. theta energy: -222.221 Dist. restrs. and SS energy: 0.000 (S_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: 479 Temperature: 1.050000 Total energy: -2580.431652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.431652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.431652 (E_RNA) where: Base-Base interactions energy: -1829.922 where: short stacking energy: -739.513 Base-Backbone interact. energy: -2.721 local terms energy: -747.788985 where: bonds (distance) C4'-P energy: -111.694 bonds (distance) P-C4' energy: -154.351 flat angles C4'-P-C4' energy: -155.218 flat angles P-C4'-P energy: -105.420 tors. eta vs tors. theta energy: -221.105 Dist. restrs. and SS energy: 0.000 (S_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: 479 Temperature: 1.100000 Total energy: -2475.413410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.413410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.413410 (E_RNA) where: Base-Base interactions energy: -1745.638 where: short stacking energy: -713.818 Base-Backbone interact. energy: -3.778 local terms energy: -725.997999 where: bonds (distance) C4'-P energy: -108.662 bonds (distance) P-C4' energy: -144.535 flat angles C4'-P-C4' energy: -161.059 flat angles P-C4'-P energy: -101.653 tors. eta vs tors. theta energy: -210.089 Dist. restrs. and SS energy: 0.000 (S_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: 479 Temperature: 1.150000 Total energy: -2388.529026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.529026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.529026 (E_RNA) where: Base-Base interactions energy: -1686.848 where: short stacking energy: -676.352 Base-Backbone interact. energy: -1.319 local terms energy: -700.362256 where: bonds (distance) C4'-P energy: -116.521 bonds (distance) P-C4' energy: -137.984 flat angles C4'-P-C4' energy: -152.826 flat angles P-C4'-P energy: -101.501 tors. eta vs tors. theta energy: -191.531 Dist. restrs. and SS energy: 0.000 (S_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: 479 Temperature: 1.200000 Total energy: -2358.334366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.334366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.334366 (E_RNA) where: Base-Base interactions energy: -1658.773 where: short stacking energy: -665.735 Base-Backbone interact. energy: -2.323 local terms energy: -697.238775 where: bonds (distance) C4'-P energy: -110.191 bonds (distance) P-C4' energy: -138.871 flat angles C4'-P-C4' energy: -147.555 flat angles P-C4'-P energy: -105.010 tors. eta vs tors. theta energy: -195.612 Dist. restrs. and SS energy: 0.000 (S_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: 479 Temperature: 1.250000 Total energy: -2266.363451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.363451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.363451 (E_RNA) where: Base-Base interactions energy: -1588.424 where: short stacking energy: -660.004 Base-Backbone interact. energy: -0.567 local terms energy: -677.372766 where: bonds (distance) C4'-P energy: -114.821 bonds (distance) P-C4' energy: -138.134 flat angles C4'-P-C4' energy: -140.223 flat angles P-C4'-P energy: -92.450 tors. eta vs tors. theta energy: -191.744 Dist. restrs. and SS energy: 0.000 (S_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: 479 Temperature: 1.300000 Total energy: -2185.902901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.902901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.902901 (E_RNA) where: Base-Base interactions energy: -1537.299 where: short stacking energy: -627.422 Base-Backbone interact. energy: -1.406 local terms energy: -647.197760 where: bonds (distance) C4'-P energy: -111.193 bonds (distance) P-C4' energy: -134.426 flat angles C4'-P-C4' energy: -135.854 flat angles P-C4'-P energy: -89.331 tors. eta vs tors. theta energy: -176.394 Dist. restrs. and SS energy: 0.000 (S_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: 479 Temperature: 1.350000 Total energy: -2064.455645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.455645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.455645 (E_RNA) where: Base-Base interactions energy: -1430.893 where: short stacking energy: -585.641 Base-Backbone interact. energy: -3.053 local terms energy: -630.509558 where: bonds (distance) C4'-P energy: -101.849 bonds (distance) P-C4' energy: -139.982 flat angles C4'-P-C4' energy: -140.478 flat angles P-C4'-P energy: -88.562 tors. eta vs tors. theta energy: -159.638 Dist. restrs. and SS energy: 0.000 (S_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: 480 Temperature: 0.900000 Total energy: -2716.708558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.708558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.708558 (E_RNA) where: Base-Base interactions energy: -1932.901 where: short stacking energy: -774.463 Base-Backbone interact. energy: -4.729 local terms energy: -779.078534 where: bonds (distance) C4'-P energy: -133.098 bonds (distance) P-C4' energy: -144.376 flat angles C4'-P-C4' energy: -160.597 flat angles P-C4'-P energy: -114.561 tors. eta vs tors. theta energy: -226.447 Dist. restrs. and SS energy: 0.000 (S_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: 480 Temperature: 0.950000 Total energy: -2695.343557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.343557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.343557 (E_RNA) where: Base-Base interactions energy: -1919.845 where: short stacking energy: -765.753 Base-Backbone interact. energy: -1.134 local terms energy: -774.365175 where: bonds (distance) C4'-P energy: -120.736 bonds (distance) P-C4' energy: -152.166 flat angles C4'-P-C4' energy: -164.154 flat angles P-C4'-P energy: -112.860 tors. eta vs tors. theta energy: -224.449 Dist. restrs. and SS energy: 0.000 (S_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: 480 Temperature: 1.000000 Total energy: -2646.673815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.673815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.673815 (E_RNA) where: Base-Base interactions energy: -1874.149 where: short stacking energy: -753.434 Base-Backbone interact. energy: -3.271 local terms energy: -769.254191 where: bonds (distance) C4'-P energy: -111.718 bonds (distance) P-C4' energy: -150.668 flat angles C4'-P-C4' energy: -163.014 flat angles P-C4'-P energy: -112.318 tors. eta vs tors. theta energy: -231.536 Dist. restrs. and SS energy: 0.000 (S_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: 480 Temperature: 1.050000 Total energy: -2575.251520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.251520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.251520 (E_RNA) where: Base-Base interactions energy: -1822.890 where: short stacking energy: -740.088 Base-Backbone interact. energy: -1.531 local terms energy: -750.830291 where: bonds (distance) C4'-P energy: -111.902 bonds (distance) P-C4' energy: -146.626 flat angles C4'-P-C4' energy: -154.328 flat angles P-C4'-P energy: -108.436 tors. eta vs tors. theta energy: -229.540 Dist. restrs. and SS energy: 0.000 (S_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: 480 Temperature: 1.100000 Total energy: -2459.632708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.632708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.632708 (E_RNA) where: Base-Base interactions energy: -1730.055 where: short stacking energy: -695.670 Base-Backbone interact. energy: -1.887 local terms energy: -727.690128 where: bonds (distance) C4'-P energy: -108.392 bonds (distance) P-C4' energy: -148.521 flat angles C4'-P-C4' energy: -156.257 flat angles P-C4'-P energy: -107.419 tors. eta vs tors. theta energy: -207.100 Dist. restrs. and SS energy: 0.000 (S_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: 480 Temperature: 1.150000 Total energy: -2402.714623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.714623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.714623 (E_RNA) where: Base-Base interactions energy: -1694.426 where: short stacking energy: -684.570 Base-Backbone interact. energy: -1.291 local terms energy: -706.997333 where: bonds (distance) C4'-P energy: -118.837 bonds (distance) P-C4' energy: -138.789 flat angles C4'-P-C4' energy: -148.778 flat angles P-C4'-P energy: -106.306 tors. eta vs tors. theta energy: -194.287 Dist. restrs. and SS energy: 0.000 (S_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: 480 Temperature: 1.200000 Total energy: -2364.630006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.630006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.630006 (E_RNA) where: Base-Base interactions energy: -1666.755 where: short stacking energy: -680.120 Base-Backbone interact. energy: -1.238 local terms energy: -696.636621 where: bonds (distance) C4'-P energy: -109.936 bonds (distance) P-C4' energy: -138.472 flat angles C4'-P-C4' energy: -149.856 flat angles P-C4'-P energy: -93.306 tors. eta vs tors. theta energy: -205.067 Dist. restrs. and SS energy: 0.000 (S_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: 480 Temperature: 1.250000 Total energy: -2240.738441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.738441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.738441 (E_RNA) where: Base-Base interactions energy: -1548.667 where: short stacking energy: -638.070 Base-Backbone interact. energy: -2.593 local terms energy: -689.478653 where: bonds (distance) C4'-P energy: -114.809 bonds (distance) P-C4' energy: -146.532 flat angles C4'-P-C4' energy: -149.741 flat angles P-C4'-P energy: -100.520 tors. eta vs tors. theta energy: -177.877 Dist. restrs. and SS energy: 0.000 (S_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: 480 Temperature: 1.300000 Total energy: -2199.326392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.326392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.326392 (E_RNA) where: Base-Base interactions energy: -1533.275 where: short stacking energy: -623.263 Base-Backbone interact. energy: -0.791 local terms energy: -665.260664 where: bonds (distance) C4'-P energy: -114.374 bonds (distance) P-C4' energy: -130.647 flat angles C4'-P-C4' energy: -136.259 flat angles P-C4'-P energy: -99.930 tors. eta vs tors. theta energy: -184.051 Dist. restrs. and SS energy: 0.000 (S_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: 480 Temperature: 1.350000 Total energy: -2095.398193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.398193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.398193 (E_RNA) where: Base-Base interactions energy: -1451.519 where: short stacking energy: -601.292 Base-Backbone interact. energy: -1.171 local terms energy: -642.708730 where: bonds (distance) C4'-P energy: -112.185 bonds (distance) P-C4' energy: -147.657 flat angles C4'-P-C4' energy: -136.757 flat angles P-C4'-P energy: -66.173 tors. eta vs tors. theta energy: -179.938 Dist. restrs. and SS energy: 0.000 (S_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: 481 Temperature: 0.900000 Total energy: -2719.073223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.073223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.073223 (E_RNA) where: Base-Base interactions energy: -1932.371 where: short stacking energy: -757.435 Base-Backbone interact. energy: -0.298 local terms energy: -786.404853 where: bonds (distance) C4'-P energy: -132.013 bonds (distance) P-C4' energy: -149.854 flat angles C4'-P-C4' energy: -162.658 flat angles P-C4'-P energy: -115.895 tors. eta vs tors. theta energy: -225.984 Dist. restrs. and SS energy: 0.000 (S_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: 481 Temperature: 0.950000 Total energy: -2671.817426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.817426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.817426 (E_RNA) where: Base-Base interactions energy: -1889.459 where: short stacking energy: -761.203 Base-Backbone interact. energy: -2.124 local terms energy: -780.234429 where: bonds (distance) C4'-P energy: -121.558 bonds (distance) P-C4' energy: -160.705 flat angles C4'-P-C4' energy: -163.581 flat angles P-C4'-P energy: -109.514 tors. eta vs tors. theta energy: -224.877 Dist. restrs. and SS energy: 0.000 (S_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: 481 Temperature: 1.000000 Total energy: -2628.815978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.815978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.815978 (E_RNA) where: Base-Base interactions energy: -1873.911 where: short stacking energy: -747.410 Base-Backbone interact. energy: -2.128 local terms energy: -752.776422 where: bonds (distance) C4'-P energy: -122.379 bonds (distance) P-C4' energy: -140.111 flat angles C4'-P-C4' energy: -158.847 flat angles P-C4'-P energy: -106.297 tors. eta vs tors. theta energy: -225.142 Dist. restrs. and SS energy: 0.000 (S_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: 481 Temperature: 1.050000 Total energy: -2596.020157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.020157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.020157 (E_RNA) where: Base-Base interactions energy: -1856.138 where: short stacking energy: -747.477 Base-Backbone interact. energy: -2.784 local terms energy: -737.097598 where: bonds (distance) C4'-P energy: -109.215 bonds (distance) P-C4' energy: -151.130 flat angles C4'-P-C4' energy: -154.192 flat angles P-C4'-P energy: -101.004 tors. eta vs tors. theta energy: -221.556 Dist. restrs. and SS energy: 0.000 (S_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: 481 Temperature: 1.100000 Total energy: -2456.914889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.914889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.914889 (E_RNA) where: Base-Base interactions energy: -1731.733 where: short stacking energy: -693.822 Base-Backbone interact. energy: 0.117 local terms energy: -725.299167 where: bonds (distance) C4'-P energy: -121.545 bonds (distance) P-C4' energy: -147.441 flat angles C4'-P-C4' energy: -154.904 flat angles P-C4'-P energy: -100.572 tors. eta vs tors. theta energy: -200.838 Dist. restrs. and SS energy: 0.000 (S_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: 481 Temperature: 1.150000 Total energy: -2424.483972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.483972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.483972 (E_RNA) where: Base-Base interactions energy: -1718.110 where: short stacking energy: -687.246 Base-Backbone interact. energy: -2.037 local terms energy: -704.336523 where: bonds (distance) C4'-P energy: -112.428 bonds (distance) P-C4' energy: -143.920 flat angles C4'-P-C4' energy: -147.277 flat angles P-C4'-P energy: -97.928 tors. eta vs tors. theta energy: -202.784 Dist. restrs. and SS energy: 0.000 (S_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: 481 Temperature: 1.200000 Total energy: -2359.339595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.339595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.339595 (E_RNA) where: Base-Base interactions energy: -1657.923 where: short stacking energy: -670.468 Base-Backbone interact. energy: -0.576 local terms energy: -700.841414 where: bonds (distance) C4'-P energy: -107.583 bonds (distance) P-C4' energy: -141.476 flat angles C4'-P-C4' energy: -153.485 flat angles P-C4'-P energy: -102.860 tors. eta vs tors. theta energy: -195.438 Dist. restrs. and SS energy: 0.000 (S_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: 481 Temperature: 1.250000 Total energy: -2257.445678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.445678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.445678 (E_RNA) where: Base-Base interactions energy: -1579.712 where: short stacking energy: -665.275 Base-Backbone interact. energy: -1.642 local terms energy: -676.091625 where: bonds (distance) C4'-P energy: -107.549 bonds (distance) P-C4' energy: -135.707 flat angles C4'-P-C4' energy: -157.221 flat angles P-C4'-P energy: -84.205 tors. eta vs tors. theta energy: -191.409 Dist. restrs. and SS energy: 0.000 (S_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: 481 Temperature: 1.300000 Total energy: -2100.283426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.283426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.283426 (E_RNA) where: Base-Base interactions energy: -1464.687 where: short stacking energy: -606.957 Base-Backbone interact. energy: -0.099 local terms energy: -635.497874 where: bonds (distance) C4'-P energy: -115.278 bonds (distance) P-C4' energy: -126.957 flat angles C4'-P-C4' energy: -138.688 flat angles P-C4'-P energy: -99.263 tors. eta vs tors. theta energy: -155.311 Dist. restrs. and SS energy: 0.000 (S_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: 481 Temperature: 1.350000 Total energy: -2090.790743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.790743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.790743 (E_RNA) where: Base-Base interactions energy: -1452.558 where: short stacking energy: -594.078 Base-Backbone interact. energy: -0.591 local terms energy: -637.641143 where: bonds (distance) C4'-P energy: -98.592 bonds (distance) P-C4' energy: -145.827 flat angles C4'-P-C4' energy: -138.149 flat angles P-C4'-P energy: -84.959 tors. eta vs tors. theta energy: -170.114 Dist. restrs. and SS energy: 0.000 (S_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: 482 Temperature: 0.900000 Total energy: -2718.252419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.252419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.252419 (E_RNA) where: Base-Base interactions energy: -1939.622 where: short stacking energy: -770.577 Base-Backbone interact. energy: 1.128 local terms energy: -779.758921 where: bonds (distance) C4'-P energy: -121.301 bonds (distance) P-C4' energy: -157.448 flat angles C4'-P-C4' energy: -161.673 flat angles P-C4'-P energy: -110.311 tors. eta vs tors. theta energy: -229.025 Dist. restrs. and SS energy: 0.000 (S_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: 482 Temperature: 0.950000 Total energy: -2654.485058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.485058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.485058 (E_RNA) where: Base-Base interactions energy: -1890.759 where: short stacking energy: -752.811 Base-Backbone interact. energy: -5.994 local terms energy: -757.731806 where: bonds (distance) C4'-P energy: -122.742 bonds (distance) P-C4' energy: -150.821 flat angles C4'-P-C4' energy: -152.468 flat angles P-C4'-P energy: -102.972 tors. eta vs tors. theta energy: -228.729 Dist. restrs. and SS energy: 0.000 (S_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: 482 Temperature: 1.000000 Total energy: -2651.955520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.955520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.955520 (E_RNA) where: Base-Base interactions energy: -1884.628 where: short stacking energy: -770.350 Base-Backbone interact. energy: -4.674 local terms energy: -762.653670 where: bonds (distance) C4'-P energy: -120.759 bonds (distance) P-C4' energy: -151.233 flat angles C4'-P-C4' energy: -151.505 flat angles P-C4'-P energy: -107.020 tors. eta vs tors. theta energy: -232.136 Dist. restrs. and SS energy: 0.000 (S_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: 482 Temperature: 1.050000 Total energy: -2579.324937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.324937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.324937 (E_RNA) where: Base-Base interactions energy: -1825.918 where: short stacking energy: -743.767 Base-Backbone interact. energy: 0.691 local terms energy: -754.098511 where: bonds (distance) C4'-P energy: -114.186 bonds (distance) P-C4' energy: -157.855 flat angles C4'-P-C4' energy: -157.047 flat angles P-C4'-P energy: -96.530 tors. eta vs tors. theta energy: -228.480 Dist. restrs. and SS energy: 0.000 (S_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: 482 Temperature: 1.100000 Total energy: -2449.630187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.630187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.630187 (E_RNA) where: Base-Base interactions energy: -1743.537 where: short stacking energy: -703.128 Base-Backbone interact. energy: 2.650 local terms energy: -708.743170 where: bonds (distance) C4'-P energy: -104.977 bonds (distance) P-C4' energy: -132.552 flat angles C4'-P-C4' energy: -151.827 flat angles P-C4'-P energy: -110.588 tors. eta vs tors. theta energy: -208.799 Dist. restrs. and SS energy: 0.000 (S_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: 482 Temperature: 1.150000 Total energy: -2434.695555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.695555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.695555 (E_RNA) where: Base-Base interactions energy: -1743.947 where: short stacking energy: -702.812 Base-Backbone interact. energy: -0.873 local terms energy: -689.874979 where: bonds (distance) C4'-P energy: -111.415 bonds (distance) P-C4' energy: -129.751 flat angles C4'-P-C4' energy: -139.155 flat angles P-C4'-P energy: -100.497 tors. eta vs tors. theta energy: -209.057 Dist. restrs. and SS energy: 0.000 (S_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: 482 Temperature: 1.200000 Total energy: -2404.481050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.481050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.481050 (E_RNA) where: Base-Base interactions energy: -1701.847 where: short stacking energy: -685.400 Base-Backbone interact. energy: -0.563 local terms energy: -702.070741 where: bonds (distance) C4'-P energy: -110.829 bonds (distance) P-C4' energy: -135.658 flat angles C4'-P-C4' energy: -148.487 flat angles P-C4'-P energy: -100.463 tors. eta vs tors. theta energy: -206.633 Dist. restrs. and SS energy: 0.000 (S_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: 482 Temperature: 1.250000 Total energy: -2296.192230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.192230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.192230 (E_RNA) where: Base-Base interactions energy: -1600.294 where: short stacking energy: -651.269 Base-Backbone interact. energy: -3.468 local terms energy: -692.429940 where: bonds (distance) C4'-P energy: -113.873 bonds (distance) P-C4' energy: -149.368 flat angles C4'-P-C4' energy: -147.724 flat angles P-C4'-P energy: -93.887 tors. eta vs tors. theta energy: -187.577 Dist. restrs. and SS energy: 0.000 (S_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: 482 Temperature: 1.300000 Total energy: -2097.302866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.302866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.302866 (E_RNA) where: Base-Base interactions energy: -1451.547 where: short stacking energy: -596.139 Base-Backbone interact. energy: 0.939 local terms energy: -646.695026 where: bonds (distance) C4'-P energy: -118.970 bonds (distance) P-C4' energy: -140.164 flat angles C4'-P-C4' energy: -135.537 flat angles P-C4'-P energy: -86.391 tors. eta vs tors. theta energy: -165.634 Dist. restrs. and SS energy: 0.000 (S_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: 482 Temperature: 1.350000 Total energy: -2130.999807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.999807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.999807 (E_RNA) where: Base-Base interactions energy: -1488.078 where: short stacking energy: -601.792 Base-Backbone interact. energy: -2.508 local terms energy: -640.413863 where: bonds (distance) C4'-P energy: -103.106 bonds (distance) P-C4' energy: -129.980 flat angles C4'-P-C4' energy: -141.720 flat angles P-C4'-P energy: -91.394 tors. eta vs tors. theta energy: -174.214 Dist. restrs. and SS energy: 0.000 (S_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: 483 Temperature: 0.900000 Total energy: -2711.368285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.368285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.368285 (E_RNA) where: Base-Base interactions energy: -1944.651 where: short stacking energy: -760.268 Base-Backbone interact. energy: -3.655 local terms energy: -763.062845 where: bonds (distance) C4'-P energy: -127.104 bonds (distance) P-C4' energy: -148.472 flat angles C4'-P-C4' energy: -157.458 flat angles P-C4'-P energy: -104.528 tors. eta vs tors. theta energy: -225.500 Dist. restrs. and SS energy: 0.000 (S_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: 483 Temperature: 0.950000 Total energy: -2665.468794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.468794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.468794 (E_RNA) where: Base-Base interactions energy: -1896.370 where: short stacking energy: -742.559 Base-Backbone interact. energy: -3.778 local terms energy: -765.320482 where: bonds (distance) C4'-P energy: -107.547 bonds (distance) P-C4' energy: -155.951 flat angles C4'-P-C4' energy: -160.906 flat angles P-C4'-P energy: -116.736 tors. eta vs tors. theta energy: -224.180 Dist. restrs. and SS energy: 0.000 (S_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: 483 Temperature: 1.000000 Total energy: -2617.641932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.641932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.641932 (E_RNA) where: Base-Base interactions energy: -1874.166 where: short stacking energy: -744.085 Base-Backbone interact. energy: -0.017 local terms energy: -743.458462 where: bonds (distance) C4'-P energy: -107.730 bonds (distance) P-C4' energy: -149.807 flat angles C4'-P-C4' energy: -156.926 flat angles P-C4'-P energy: -102.258 tors. eta vs tors. theta energy: -226.737 Dist. restrs. and SS energy: 0.000 (S_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: 483 Temperature: 1.050000 Total energy: -2561.389779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.389779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.389779 (E_RNA) where: Base-Base interactions energy: -1814.545 where: short stacking energy: -740.841 Base-Backbone interact. energy: -1.879 local terms energy: -744.965175 where: bonds (distance) C4'-P energy: -106.792 bonds (distance) P-C4' energy: -158.689 flat angles C4'-P-C4' energy: -152.613 flat angles P-C4'-P energy: -104.789 tors. eta vs tors. theta energy: -222.082 Dist. restrs. and SS energy: 0.000 (S_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: 483 Temperature: 1.100000 Total energy: -2440.705802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.705802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.705802 (E_RNA) where: Base-Base interactions energy: -1724.414 where: short stacking energy: -703.739 Base-Backbone interact. energy: -0.986 local terms energy: -715.305873 where: bonds (distance) C4'-P energy: -114.555 bonds (distance) P-C4' energy: -143.314 flat angles C4'-P-C4' energy: -149.340 flat angles P-C4'-P energy: -101.567 tors. eta vs tors. theta energy: -206.529 Dist. restrs. and SS energy: 0.000 (S_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: 483 Temperature: 1.150000 Total energy: -2450.633191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.633191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.633191 (E_RNA) where: Base-Base interactions energy: -1723.920 where: short stacking energy: -691.375 Base-Backbone interact. energy: -2.266 local terms energy: -724.446954 where: bonds (distance) C4'-P energy: -110.109 bonds (distance) P-C4' energy: -155.942 flat angles C4'-P-C4' energy: -146.792 flat angles P-C4'-P energy: -102.386 tors. eta vs tors. theta energy: -209.218 Dist. restrs. and SS energy: 0.000 (S_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: 483 Temperature: 1.200000 Total energy: -2380.867912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.867912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.867912 (E_RNA) where: Base-Base interactions energy: -1681.055 where: short stacking energy: -679.724 Base-Backbone interact. energy: -4.080 local terms energy: -695.732838 where: bonds (distance) C4'-P energy: -119.356 bonds (distance) P-C4' energy: -140.517 flat angles C4'-P-C4' energy: -142.534 flat angles P-C4'-P energy: -94.396 tors. eta vs tors. theta energy: -198.930 Dist. restrs. and SS energy: 0.000 (S_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: 483 Temperature: 1.250000 Total energy: -2277.074392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.074392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.074392 (E_RNA) where: Base-Base interactions energy: -1595.627 where: short stacking energy: -642.864 Base-Backbone interact. energy: -0.480 local terms energy: -680.967282 where: bonds (distance) C4'-P energy: -113.023 bonds (distance) P-C4' energy: -154.266 flat angles C4'-P-C4' energy: -142.938 flat angles P-C4'-P energy: -87.991 tors. eta vs tors. theta energy: -182.749 Dist. restrs. and SS energy: 0.000 (S_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: 483 Temperature: 1.300000 Total energy: -2022.728542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.728542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.728542 (E_RNA) where: Base-Base interactions energy: -1398.054 where: short stacking energy: -578.568 Base-Backbone interact. energy: -1.205 local terms energy: -623.470218 where: bonds (distance) C4'-P energy: -106.535 bonds (distance) P-C4' energy: -137.081 flat angles C4'-P-C4' energy: -132.342 flat angles P-C4'-P energy: -94.920 tors. eta vs tors. theta energy: -152.593 Dist. restrs. and SS energy: 0.000 (S_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: 483 Temperature: 1.350000 Total energy: -2090.384880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.384880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.384880 (E_RNA) where: Base-Base interactions energy: -1450.938 where: short stacking energy: -588.637 Base-Backbone interact. energy: 1.322 local terms energy: -640.768533 where: bonds (distance) C4'-P energy: -110.820 bonds (distance) P-C4' energy: -128.974 flat angles C4'-P-C4' energy: -139.149 flat angles P-C4'-P energy: -93.361 tors. eta vs tors. theta energy: -168.465 Dist. restrs. and SS energy: 0.000 (S_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: 484 Temperature: 0.900000 Total energy: -2687.891197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.891197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.891197 (E_RNA) where: Base-Base interactions energy: -1914.456 where: short stacking energy: -768.588 Base-Backbone interact. energy: -3.395 local terms energy: -770.039722 where: bonds (distance) C4'-P energy: -124.921 bonds (distance) P-C4' energy: -151.445 flat angles C4'-P-C4' energy: -157.289 flat angles P-C4'-P energy: -111.990 tors. eta vs tors. theta energy: -224.395 Dist. restrs. and SS energy: 0.000 (S_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: 484 Temperature: 0.950000 Total energy: -2682.147091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.147091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.147091 (E_RNA) where: Base-Base interactions energy: -1923.922 where: short stacking energy: -755.974 Base-Backbone interact. energy: -4.162 local terms energy: -754.062950 where: bonds (distance) C4'-P energy: -117.807 bonds (distance) P-C4' energy: -144.760 flat angles C4'-P-C4' energy: -156.709 flat angles P-C4'-P energy: -110.827 tors. eta vs tors. theta energy: -223.960 Dist. restrs. and SS energy: 0.000 (S_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: 484 Temperature: 1.000000 Total energy: -2626.884372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.884372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.884372 (E_RNA) where: Base-Base interactions energy: -1868.299 where: short stacking energy: -764.244 Base-Backbone interact. energy: -5.721 local terms energy: -752.863542 where: bonds (distance) C4'-P energy: -108.821 bonds (distance) P-C4' energy: -152.938 flat angles C4'-P-C4' energy: -155.750 flat angles P-C4'-P energy: -105.432 tors. eta vs tors. theta energy: -229.924 Dist. restrs. and SS energy: 0.000 (S_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: 484 Temperature: 1.050000 Total energy: -2549.721596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.721596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.721596 (E_RNA) where: Base-Base interactions energy: -1794.461 where: short stacking energy: -746.261 Base-Backbone interact. energy: -2.464 local terms energy: -752.796749 where: bonds (distance) C4'-P energy: -109.404 bonds (distance) P-C4' energy: -134.784 flat angles C4'-P-C4' energy: -162.096 flat angles P-C4'-P energy: -114.158 tors. eta vs tors. theta energy: -232.355 Dist. restrs. and SS energy: 0.000 (S_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: 484 Temperature: 1.100000 Total energy: -2471.187729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.187729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.187729 (E_RNA) where: Base-Base interactions energy: -1749.918 where: short stacking energy: -695.528 Base-Backbone interact. energy: -1.816 local terms energy: -719.453995 where: bonds (distance) C4'-P energy: -107.477 bonds (distance) P-C4' energy: -140.979 flat angles C4'-P-C4' energy: -153.499 flat angles P-C4'-P energy: -110.402 tors. eta vs tors. theta energy: -207.098 Dist. restrs. and SS energy: 0.000 (S_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: 484 Temperature: 1.150000 Total energy: -2389.843640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.843640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.843640 (E_RNA) where: Base-Base interactions energy: -1682.745 where: short stacking energy: -684.090 Base-Backbone interact. energy: -1.398 local terms energy: -705.700615 where: bonds (distance) C4'-P energy: -114.668 bonds (distance) P-C4' energy: -136.131 flat angles C4'-P-C4' energy: -145.189 flat angles P-C4'-P energy: -104.026 tors. eta vs tors. theta energy: -205.687 Dist. restrs. and SS energy: 0.000 (S_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: 484 Temperature: 1.200000 Total energy: -2393.455227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.455227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.455227 (E_RNA) where: Base-Base interactions energy: -1689.301 where: short stacking energy: -684.645 Base-Backbone interact. energy: -0.926 local terms energy: -703.228210 where: bonds (distance) C4'-P energy: -114.878 bonds (distance) P-C4' energy: -129.507 flat angles C4'-P-C4' energy: -142.670 flat angles P-C4'-P energy: -114.338 tors. eta vs tors. theta energy: -201.835 Dist. restrs. and SS energy: 0.000 (S_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: 484 Temperature: 1.250000 Total energy: -2270.717747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.717747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.717747 (E_RNA) where: Base-Base interactions energy: -1581.399 where: short stacking energy: -654.509 Base-Backbone interact. energy: -3.692 local terms energy: -685.626728 where: bonds (distance) C4'-P energy: -96.497 bonds (distance) P-C4' energy: -145.334 flat angles C4'-P-C4' energy: -153.248 flat angles P-C4'-P energy: -97.648 tors. eta vs tors. theta energy: -192.900 Dist. restrs. and SS energy: 0.000 (S_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: 484 Temperature: 1.300000 Total energy: -2121.210088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.210088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.210088 (E_RNA) where: Base-Base interactions energy: -1467.698 where: short stacking energy: -618.409 Base-Backbone interact. energy: -0.117 local terms energy: -653.394754 where: bonds (distance) C4'-P energy: -114.233 bonds (distance) P-C4' energy: -137.573 flat angles C4'-P-C4' energy: -143.782 flat angles P-C4'-P energy: -89.568 tors. eta vs tors. theta energy: -168.239 Dist. restrs. and SS energy: 0.000 (S_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: 484 Temperature: 1.350000 Total energy: -2020.547184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.547184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.547184 (E_RNA) where: Base-Base interactions energy: -1388.405 where: short stacking energy: -566.613 Base-Backbone interact. energy: -1.676 local terms energy: -630.466182 where: bonds (distance) C4'-P energy: -102.853 bonds (distance) P-C4' energy: -139.672 flat angles C4'-P-C4' energy: -137.162 flat angles P-C4'-P energy: -97.648 tors. eta vs tors. theta energy: -153.131 Dist. restrs. and SS energy: 0.000 (S_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: 485 Temperature: 0.900000 Total energy: -2717.890527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.890527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.890527 (E_RNA) where: Base-Base interactions energy: -1914.038 where: short stacking energy: -756.962 Base-Backbone interact. energy: -4.542 local terms energy: -799.310959 where: bonds (distance) C4'-P energy: -129.930 bonds (distance) P-C4' energy: -153.284 flat angles C4'-P-C4' energy: -168.784 flat angles P-C4'-P energy: -116.105 tors. eta vs tors. theta energy: -231.208 Dist. restrs. and SS energy: 0.000 (S_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: 485 Temperature: 0.950000 Total energy: -2679.271332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.271332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.271332 (E_RNA) where: Base-Base interactions energy: -1913.390 where: short stacking energy: -739.064 Base-Backbone interact. energy: -2.555 local terms energy: -763.327047 where: bonds (distance) C4'-P energy: -122.994 bonds (distance) P-C4' energy: -154.113 flat angles C4'-P-C4' energy: -162.679 flat angles P-C4'-P energy: -106.369 tors. eta vs tors. theta energy: -217.172 Dist. restrs. and SS energy: 0.000 (S_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: 485 Temperature: 1.000000 Total energy: -2621.656339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.656339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.656339 (E_RNA) where: Base-Base interactions energy: -1854.063 where: short stacking energy: -766.983 Base-Backbone interact. energy: -0.757 local terms energy: -766.835843 where: bonds (distance) C4'-P energy: -110.525 bonds (distance) P-C4' energy: -152.021 flat angles C4'-P-C4' energy: -165.797 flat angles P-C4'-P energy: -109.817 tors. eta vs tors. theta energy: -228.677 Dist. restrs. and SS energy: 0.000 (S_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: 485 Temperature: 1.050000 Total energy: -2571.761943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.761943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.761943 (E_RNA) where: Base-Base interactions energy: -1813.943 where: short stacking energy: -746.684 Base-Backbone interact. energy: -1.105 local terms energy: -756.714391 where: bonds (distance) C4'-P energy: -120.010 bonds (distance) P-C4' energy: -146.825 flat angles C4'-P-C4' energy: -151.106 flat angles P-C4'-P energy: -109.540 tors. eta vs tors. theta energy: -229.234 Dist. restrs. and SS energy: 0.000 (S_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: 485 Temperature: 1.100000 Total energy: -2473.548148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.548148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.548148 (E_RNA) where: Base-Base interactions energy: -1744.394 where: short stacking energy: -694.700 Base-Backbone interact. energy: 0.362 local terms energy: -729.516029 where: bonds (distance) C4'-P energy: -112.109 bonds (distance) P-C4' energy: -150.730 flat angles C4'-P-C4' energy: -157.388 flat angles P-C4'-P energy: -114.582 tors. eta vs tors. theta energy: -194.708 Dist. restrs. and SS energy: 0.000 (S_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: 485 Temperature: 1.150000 Total energy: -2425.396840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.396840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.396840 (E_RNA) where: Base-Base interactions energy: -1732.212 where: short stacking energy: -688.901 Base-Backbone interact. energy: -1.398 local terms energy: -691.786956 where: bonds (distance) C4'-P energy: -112.137 bonds (distance) P-C4' energy: -126.003 flat angles C4'-P-C4' energy: -146.538 flat angles P-C4'-P energy: -102.843 tors. eta vs tors. theta energy: -204.266 Dist. restrs. and SS energy: 0.000 (S_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: 485 Temperature: 1.200000 Total energy: -2351.482708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.482708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.482708 (E_RNA) where: Base-Base interactions energy: -1673.647 where: short stacking energy: -680.592 Base-Backbone interact. energy: 2.283 local terms energy: -680.118377 where: bonds (distance) C4'-P energy: -113.234 bonds (distance) P-C4' energy: -133.247 flat angles C4'-P-C4' energy: -139.647 flat angles P-C4'-P energy: -97.764 tors. eta vs tors. theta energy: -196.227 Dist. restrs. and SS energy: 0.000 (S_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: 485 Temperature: 1.250000 Total energy: -2281.543906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.543906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.543906 (E_RNA) where: Base-Base interactions energy: -1607.297 where: short stacking energy: -659.843 Base-Backbone interact. energy: -2.104 local terms energy: -672.142961 where: bonds (distance) C4'-P energy: -100.801 bonds (distance) P-C4' energy: -133.647 flat angles C4'-P-C4' energy: -143.597 flat angles P-C4'-P energy: -100.744 tors. eta vs tors. theta energy: -193.353 Dist. restrs. and SS energy: 0.000 (S_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: 485 Temperature: 1.300000 Total energy: -2126.474766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.474766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.474766 (E_RNA) where: Base-Base interactions energy: -1482.877 where: short stacking energy: -618.750 Base-Backbone interact. energy: 0.074 local terms energy: -643.671492 where: bonds (distance) C4'-P energy: -115.515 bonds (distance) P-C4' energy: -141.559 flat angles C4'-P-C4' energy: -137.827 flat angles P-C4'-P energy: -81.923 tors. eta vs tors. theta energy: -166.848 Dist. restrs. and SS energy: 0.000 (S_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: 485 Temperature: 1.350000 Total energy: -2042.033555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.033555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.033555 (E_RNA) where: Base-Base interactions energy: -1382.953 where: short stacking energy: -595.201 Base-Backbone interact. energy: -2.084 local terms energy: -656.996235 where: bonds (distance) C4'-P energy: -109.335 bonds (distance) P-C4' energy: -155.831 flat angles C4'-P-C4' energy: -140.119 flat angles P-C4'-P energy: -84.897 tors. eta vs tors. theta energy: -166.813 Dist. restrs. and SS energy: 0.000 (S_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: 486 Temperature: 0.900000 Total energy: -2688.494293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.494293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.494293 (E_RNA) where: Base-Base interactions energy: -1905.684 where: short stacking energy: -746.317 Base-Backbone interact. energy: -2.009 local terms energy: -780.801674 where: bonds (distance) C4'-P energy: -131.581 bonds (distance) P-C4' energy: -162.656 flat angles C4'-P-C4' energy: -157.155 flat angles P-C4'-P energy: -104.774 tors. eta vs tors. theta energy: -224.636 Dist. restrs. and SS energy: 0.000 (S_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: 486 Temperature: 0.950000 Total energy: -2674.395461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.395461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.395461 (E_RNA) where: Base-Base interactions energy: -1918.937 where: short stacking energy: -753.364 Base-Backbone interact. energy: -0.377 local terms energy: -755.081718 where: bonds (distance) C4'-P energy: -112.880 bonds (distance) P-C4' energy: -149.572 flat angles C4'-P-C4' energy: -158.888 flat angles P-C4'-P energy: -114.563 tors. eta vs tors. theta energy: -219.179 Dist. restrs. and SS energy: 0.000 (S_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: 486 Temperature: 1.000000 Total energy: -2587.813843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.813843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.813843 (E_RNA) where: Base-Base interactions energy: -1826.774 where: short stacking energy: -740.787 Base-Backbone interact. energy: -1.258 local terms energy: -759.781794 where: bonds (distance) C4'-P energy: -121.214 bonds (distance) P-C4' energy: -149.240 flat angles C4'-P-C4' energy: -160.448 flat angles P-C4'-P energy: -105.648 tors. eta vs tors. theta energy: -223.232 Dist. restrs. and SS energy: 0.000 (S_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: 486 Temperature: 1.050000 Total energy: -2598.375344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.375344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.375344 (E_RNA) where: Base-Base interactions energy: -1846.204 where: short stacking energy: -739.937 Base-Backbone interact. energy: -2.390 local terms energy: -749.780669 where: bonds (distance) C4'-P energy: -124.381 bonds (distance) P-C4' energy: -142.129 flat angles C4'-P-C4' energy: -160.955 flat angles P-C4'-P energy: -98.229 tors. eta vs tors. theta energy: -224.086 Dist. restrs. and SS energy: 0.000 (S_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: 486 Temperature: 1.100000 Total energy: -2470.478665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.478665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.478665 (E_RNA) where: Base-Base interactions energy: -1752.510 where: short stacking energy: -699.000 Base-Backbone interact. energy: -1.757 local terms energy: -716.211548 where: bonds (distance) C4'-P energy: -107.046 bonds (distance) P-C4' energy: -148.671 flat angles C4'-P-C4' energy: -155.542 flat angles P-C4'-P energy: -99.988 tors. eta vs tors. theta energy: -204.965 Dist. restrs. and SS energy: 0.000 (S_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: 486 Temperature: 1.150000 Total energy: -2424.019167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.019167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.019167 (E_RNA) where: Base-Base interactions energy: -1696.673 where: short stacking energy: -685.323 Base-Backbone interact. energy: -2.636 local terms energy: -724.710035 where: bonds (distance) C4'-P energy: -112.476 bonds (distance) P-C4' energy: -150.655 flat angles C4'-P-C4' energy: -148.027 flat angles P-C4'-P energy: -104.860 tors. eta vs tors. theta energy: -208.691 Dist. restrs. and SS energy: 0.000 (S_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: 486 Temperature: 1.200000 Total energy: -2327.616893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.616893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.616893 (E_RNA) where: Base-Base interactions energy: -1643.990 where: short stacking energy: -668.720 Base-Backbone interact. energy: -2.010 local terms energy: -681.617381 where: bonds (distance) C4'-P energy: -102.237 bonds (distance) P-C4' energy: -141.214 flat angles C4'-P-C4' energy: -148.209 flat angles P-C4'-P energy: -91.525 tors. eta vs tors. theta energy: -198.433 Dist. restrs. and SS energy: 0.000 (S_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: 486 Temperature: 1.250000 Total energy: -2280.286355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.286355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.286355 (E_RNA) where: Base-Base interactions energy: -1615.673 where: short stacking energy: -650.360 Base-Backbone interact. energy: -2.943 local terms energy: -661.670444 where: bonds (distance) C4'-P energy: -99.653 bonds (distance) P-C4' energy: -134.604 flat angles C4'-P-C4' energy: -141.751 flat angles P-C4'-P energy: -94.500 tors. eta vs tors. theta energy: -191.163 Dist. restrs. and SS energy: 0.000 (S_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: 486 Temperature: 1.300000 Total energy: -2125.439488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.439488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.439488 (E_RNA) where: Base-Base interactions energy: -1483.106 where: short stacking energy: -625.281 Base-Backbone interact. energy: -2.189 local terms energy: -640.144762 where: bonds (distance) C4'-P energy: -99.350 bonds (distance) P-C4' energy: -139.490 flat angles C4'-P-C4' energy: -136.569 flat angles P-C4'-P energy: -89.254 tors. eta vs tors. theta energy: -175.481 Dist. restrs. and SS energy: 0.000 (S_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: 486 Temperature: 1.350000 Total energy: -2082.566966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.566966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.566966 (E_RNA) where: Base-Base interactions energy: -1440.354 where: short stacking energy: -581.589 Base-Backbone interact. energy: -0.976 local terms energy: -641.236284 where: bonds (distance) C4'-P energy: -103.738 bonds (distance) P-C4' energy: -138.785 flat angles C4'-P-C4' energy: -145.863 flat angles P-C4'-P energy: -92.247 tors. eta vs tors. theta energy: -160.604 Dist. restrs. and SS energy: 0.000 (S_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: 487 Temperature: 0.900000 Total energy: -2704.255399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.255399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.255399 (E_RNA) where: Base-Base interactions energy: -1933.211 where: short stacking energy: -754.268 Base-Backbone interact. energy: -3.951 local terms energy: -767.093487 where: bonds (distance) C4'-P energy: -125.847 bonds (distance) P-C4' energy: -158.567 flat angles C4'-P-C4' energy: -157.019 flat angles P-C4'-P energy: -106.479 tors. eta vs tors. theta energy: -219.182 Dist. restrs. and SS energy: 0.000 (S_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: 487 Temperature: 0.950000 Total energy: -2668.644781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.644781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.644781 (E_RNA) where: Base-Base interactions energy: -1916.717 where: short stacking energy: -755.997 Base-Backbone interact. energy: -1.881 local terms energy: -750.046144 where: bonds (distance) C4'-P energy: -117.163 bonds (distance) P-C4' energy: -145.950 flat angles C4'-P-C4' energy: -153.384 flat angles P-C4'-P energy: -111.944 tors. eta vs tors. theta energy: -221.606 Dist. restrs. and SS energy: 0.000 (S_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: 487 Temperature: 1.000000 Total energy: -2589.324341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.324341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.324341 (E_RNA) where: Base-Base interactions energy: -1830.003 where: short stacking energy: -744.208 Base-Backbone interact. energy: -2.345 local terms energy: -756.976018 where: bonds (distance) C4'-P energy: -112.605 bonds (distance) P-C4' energy: -150.049 flat angles C4'-P-C4' energy: -157.614 flat angles P-C4'-P energy: -110.290 tors. eta vs tors. theta energy: -226.417 Dist. restrs. and SS energy: 0.000 (S_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: 487 Temperature: 1.050000 Total energy: -2595.754592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.754592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.754592 (E_RNA) where: Base-Base interactions energy: -1839.373 where: short stacking energy: -733.780 Base-Backbone interact. energy: -2.231 local terms energy: -754.150505 where: bonds (distance) C4'-P energy: -129.838 bonds (distance) P-C4' energy: -146.126 flat angles C4'-P-C4' energy: -155.465 flat angles P-C4'-P energy: -100.339 tors. eta vs tors. theta energy: -222.382 Dist. restrs. and SS energy: 0.000 (S_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: 487 Temperature: 1.100000 Total energy: -2481.290548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.290548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.290548 (E_RNA) where: Base-Base interactions energy: -1750.109 where: short stacking energy: -708.541 Base-Backbone interact. energy: -2.407 local terms energy: -728.774594 where: bonds (distance) C4'-P energy: -123.155 bonds (distance) P-C4' energy: -146.493 flat angles C4'-P-C4' energy: -157.131 flat angles P-C4'-P energy: -94.068 tors. eta vs tors. theta energy: -207.927 Dist. restrs. and SS energy: 0.000 (S_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: 487 Temperature: 1.150000 Total energy: -2396.952814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.952814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.952814 (E_RNA) where: Base-Base interactions energy: -1694.360 where: short stacking energy: -681.237 Base-Backbone interact. energy: -3.457 local terms energy: -699.135653 where: bonds (distance) C4'-P energy: -107.827 bonds (distance) P-C4' energy: -138.235 flat angles C4'-P-C4' energy: -145.491 flat angles P-C4'-P energy: -106.209 tors. eta vs tors. theta energy: -201.374 Dist. restrs. and SS energy: 0.000 (S_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: 487 Temperature: 1.200000 Total energy: -2366.541536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.541536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.541536 (E_RNA) where: Base-Base interactions energy: -1663.216 where: short stacking energy: -682.734 Base-Backbone interact. energy: -1.572 local terms energy: -701.753781 where: bonds (distance) C4'-P energy: -111.388 bonds (distance) P-C4' energy: -142.484 flat angles C4'-P-C4' energy: -148.090 flat angles P-C4'-P energy: -97.591 tors. eta vs tors. theta energy: -202.202 Dist. restrs. and SS energy: 0.000 (S_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: 487 Temperature: 1.250000 Total energy: -2282.035600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.035600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.035600 (E_RNA) where: Base-Base interactions energy: -1588.656 where: short stacking energy: -655.879 Base-Backbone interact. energy: -0.812 local terms energy: -692.566859 where: bonds (distance) C4'-P energy: -103.470 bonds (distance) P-C4' energy: -146.841 flat angles C4'-P-C4' energy: -137.349 flat angles P-C4'-P energy: -107.778 tors. eta vs tors. theta energy: -197.129 Dist. restrs. and SS energy: 0.000 (S_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: 487 Temperature: 1.300000 Total energy: -2085.762594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.762594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.762594 (E_RNA) where: Base-Base interactions energy: -1438.712 where: short stacking energy: -584.656 Base-Backbone interact. energy: 0.779 local terms energy: -647.829875 where: bonds (distance) C4'-P energy: -107.045 bonds (distance) P-C4' energy: -144.398 flat angles C4'-P-C4' energy: -139.083 flat angles P-C4'-P energy: -81.267 tors. eta vs tors. theta energy: -176.037 Dist. restrs. and SS energy: 0.000 (S_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: 487 Temperature: 1.350000 Total energy: -2104.979309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.979309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.979309 (E_RNA) where: Base-Base interactions energy: -1467.699 where: short stacking energy: -620.958 Base-Backbone interact. energy: 4.355 local terms energy: -641.635080 where: bonds (distance) C4'-P energy: -102.128 bonds (distance) P-C4' energy: -142.287 flat angles C4'-P-C4' energy: -130.738 flat angles P-C4'-P energy: -91.109 tors. eta vs tors. theta energy: -175.372 Dist. restrs. and SS energy: 0.000 (S_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: 488 Temperature: 0.900000 Total energy: -2705.617343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.617343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.617343 (E_RNA) where: Base-Base interactions energy: -1922.454 where: short stacking energy: -776.534 Base-Backbone interact. energy: -2.252 local terms energy: -780.910969 where: bonds (distance) C4'-P energy: -123.995 bonds (distance) P-C4' energy: -154.789 flat angles C4'-P-C4' energy: -166.306 flat angles P-C4'-P energy: -113.029 tors. eta vs tors. theta energy: -222.791 Dist. restrs. and SS energy: 0.000 (S_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: 488 Temperature: 0.950000 Total energy: -2698.961985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.961985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.961985 (E_RNA) where: Base-Base interactions energy: -1906.279 where: short stacking energy: -763.925 Base-Backbone interact. energy: -2.587 local terms energy: -790.096193 where: bonds (distance) C4'-P energy: -129.133 bonds (distance) P-C4' energy: -157.803 flat angles C4'-P-C4' energy: -164.818 flat angles P-C4'-P energy: -113.326 tors. eta vs tors. theta energy: -225.016 Dist. restrs. and SS energy: 0.000 (S_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: 488 Temperature: 1.000000 Total energy: -2603.458461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.458461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.458461 (E_RNA) where: Base-Base interactions energy: -1846.347 where: short stacking energy: -765.714 Base-Backbone interact. energy: -0.804 local terms energy: -756.307607 where: bonds (distance) C4'-P energy: -117.269 bonds (distance) P-C4' energy: -143.248 flat angles C4'-P-C4' energy: -159.430 flat angles P-C4'-P energy: -109.348 tors. eta vs tors. theta energy: -227.013 Dist. restrs. and SS energy: 0.000 (S_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: 488 Temperature: 1.050000 Total energy: -2600.533856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.533856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.533856 (E_RNA) where: Base-Base interactions energy: -1845.729 where: short stacking energy: -741.206 Base-Backbone interact. energy: -3.319 local terms energy: -751.485915 where: bonds (distance) C4'-P energy: -114.049 bonds (distance) P-C4' energy: -148.651 flat angles C4'-P-C4' energy: -157.864 flat angles P-C4'-P energy: -105.048 tors. eta vs tors. theta energy: -225.875 Dist. restrs. and SS energy: 0.000 (S_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: 488 Temperature: 1.100000 Total energy: -2494.729751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.729751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.729751 (E_RNA) where: Base-Base interactions energy: -1737.252 where: short stacking energy: -704.571 Base-Backbone interact. energy: -2.829 local terms energy: -754.648441 where: bonds (distance) C4'-P energy: -119.905 bonds (distance) P-C4' energy: -157.263 flat angles C4'-P-C4' energy: -153.768 flat angles P-C4'-P energy: -102.766 tors. eta vs tors. theta energy: -220.946 Dist. restrs. and SS energy: 0.000 (S_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: 488 Temperature: 1.150000 Total energy: -2457.966563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.966563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.966563 (E_RNA) where: Base-Base interactions energy: -1740.189 where: short stacking energy: -709.673 Base-Backbone interact. energy: 0.048 local terms energy: -717.825501 where: bonds (distance) C4'-P energy: -116.080 bonds (distance) P-C4' energy: -133.893 flat angles C4'-P-C4' energy: -155.080 flat angles P-C4'-P energy: -104.945 tors. eta vs tors. theta energy: -207.827 Dist. restrs. and SS energy: 0.000 (S_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: 488 Temperature: 1.200000 Total energy: -2406.460566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.460566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.460566 (E_RNA) where: Base-Base interactions energy: -1704.320 where: short stacking energy: -692.230 Base-Backbone interact. energy: 0.140 local terms energy: -702.280834 where: bonds (distance) C4'-P energy: -108.506 bonds (distance) P-C4' energy: -139.902 flat angles C4'-P-C4' energy: -147.215 flat angles P-C4'-P energy: -101.305 tors. eta vs tors. theta energy: -205.353 Dist. restrs. and SS energy: 0.000 (S_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: 488 Temperature: 1.250000 Total energy: -2288.531708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.531708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.531708 (E_RNA) where: Base-Base interactions energy: -1604.472 where: short stacking energy: -655.756 Base-Backbone interact. energy: -0.365 local terms energy: -683.694863 where: bonds (distance) C4'-P energy: -109.922 bonds (distance) P-C4' energy: -128.172 flat angles C4'-P-C4' energy: -138.675 flat angles P-C4'-P energy: -106.097 tors. eta vs tors. theta energy: -200.829 Dist. restrs. and SS energy: 0.000 (S_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: 488 Temperature: 1.300000 Total energy: -2105.893197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.893197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.893197 (E_RNA) where: Base-Base interactions energy: -1470.226 where: short stacking energy: -616.769 Base-Backbone interact. energy: 2.428 local terms energy: -638.094933 where: bonds (distance) C4'-P energy: -101.552 bonds (distance) P-C4' energy: -136.521 flat angles C4'-P-C4' energy: -139.937 flat angles P-C4'-P energy: -92.776 tors. eta vs tors. theta energy: -167.309 Dist. restrs. and SS energy: 0.000 (S_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: 488 Temperature: 1.350000 Total energy: -2084.192071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.192071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.192071 (E_RNA) where: Base-Base interactions energy: -1452.954 where: short stacking energy: -590.174 Base-Backbone interact. energy: -0.766 local terms energy: -630.472003 where: bonds (distance) C4'-P energy: -114.373 bonds (distance) P-C4' energy: -128.410 flat angles C4'-P-C4' energy: -134.233 flat angles P-C4'-P energy: -89.679 tors. eta vs tors. theta energy: -163.777 Dist. restrs. and SS energy: 0.000 (S_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: 489 Temperature: 0.900000 Total energy: -2703.392210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.392210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.392210 (E_RNA) where: Base-Base interactions energy: -1907.861 where: short stacking energy: -757.095 Base-Backbone interact. energy: -4.435 local terms energy: -791.096524 where: bonds (distance) C4'-P energy: -136.051 bonds (distance) P-C4' energy: -153.641 flat angles C4'-P-C4' energy: -161.829 flat angles P-C4'-P energy: -111.409 tors. eta vs tors. theta energy: -228.167 Dist. restrs. and SS energy: 0.000 (S_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: 489 Temperature: 0.950000 Total energy: -2664.502785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.502785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.502785 (E_RNA) where: Base-Base interactions energy: -1884.412 where: short stacking energy: -755.630 Base-Backbone interact. energy: -1.817 local terms energy: -778.274073 where: bonds (distance) C4'-P energy: -127.787 bonds (distance) P-C4' energy: -154.966 flat angles C4'-P-C4' energy: -163.027 flat angles P-C4'-P energy: -106.778 tors. eta vs tors. theta energy: -225.717 Dist. restrs. and SS energy: 0.000 (S_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: 489 Temperature: 1.000000 Total energy: -2591.556068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.556068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.556068 (E_RNA) where: Base-Base interactions energy: -1822.312 where: short stacking energy: -752.251 Base-Backbone interact. energy: 0.579 local terms energy: -769.823202 where: bonds (distance) C4'-P energy: -115.137 bonds (distance) P-C4' energy: -162.977 flat angles C4'-P-C4' energy: -157.064 flat angles P-C4'-P energy: -110.337 tors. eta vs tors. theta energy: -224.308 Dist. restrs. and SS energy: 0.000 (S_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: 489 Temperature: 1.050000 Total energy: -2590.270219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.270219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.270219 (E_RNA) where: Base-Base interactions energy: -1832.157 where: short stacking energy: -743.541 Base-Backbone interact. energy: -2.453 local terms energy: -755.659832 where: bonds (distance) C4'-P energy: -117.015 bonds (distance) P-C4' energy: -152.833 flat angles C4'-P-C4' energy: -148.704 flat angles P-C4'-P energy: -107.236 tors. eta vs tors. theta energy: -229.872 Dist. restrs. and SS energy: 0.000 (S_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: 489 Temperature: 1.100000 Total energy: -2477.714854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.714854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.714854 (E_RNA) where: Base-Base interactions energy: -1749.500 where: short stacking energy: -710.361 Base-Backbone interact. energy: -2.931 local terms energy: -725.283484 where: bonds (distance) C4'-P energy: -114.634 bonds (distance) P-C4' energy: -149.727 flat angles C4'-P-C4' energy: -151.160 flat angles P-C4'-P energy: -95.605 tors. eta vs tors. theta energy: -214.158 Dist. restrs. and SS energy: 0.000 (S_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: 489 Temperature: 1.150000 Total energy: -2437.591617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.591617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.591617 (E_RNA) where: Base-Base interactions energy: -1739.725 where: short stacking energy: -709.837 Base-Backbone interact. energy: -1.532 local terms energy: -696.334456 where: bonds (distance) C4'-P energy: -96.465 bonds (distance) P-C4' energy: -140.679 flat angles C4'-P-C4' energy: -152.524 flat angles P-C4'-P energy: -93.646 tors. eta vs tors. theta energy: -213.020 Dist. restrs. and SS energy: 0.000 (S_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: 489 Temperature: 1.200000 Total energy: -2391.041781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.041781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.041781 (E_RNA) where: Base-Base interactions energy: -1697.087 where: short stacking energy: -684.564 Base-Backbone interact. energy: -1.196 local terms energy: -692.759085 where: bonds (distance) C4'-P energy: -99.061 bonds (distance) P-C4' energy: -144.769 flat angles C4'-P-C4' energy: -145.453 flat angles P-C4'-P energy: -93.650 tors. eta vs tors. theta energy: -209.826 Dist. restrs. and SS energy: 0.000 (S_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: 489 Temperature: 1.250000 Total energy: -2326.007323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.007323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.007323 (E_RNA) where: Base-Base interactions energy: -1643.764 where: short stacking energy: -672.892 Base-Backbone interact. energy: -0.924 local terms energy: -681.318911 where: bonds (distance) C4'-P energy: -113.013 bonds (distance) P-C4' energy: -135.490 flat angles C4'-P-C4' energy: -146.316 flat angles P-C4'-P energy: -91.233 tors. eta vs tors. theta energy: -195.268 Dist. restrs. and SS energy: 0.000 (S_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: 489 Temperature: 1.300000 Total energy: -2136.093287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.093287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.093287 (E_RNA) where: Base-Base interactions energy: -1465.247 where: short stacking energy: -610.855 Base-Backbone interact. energy: -1.319 local terms energy: -669.527721 where: bonds (distance) C4'-P energy: -109.351 bonds (distance) P-C4' energy: -137.202 flat angles C4'-P-C4' energy: -144.817 flat angles P-C4'-P energy: -100.100 tors. eta vs tors. theta energy: -178.058 Dist. restrs. and SS energy: 0.000 (S_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: 489 Temperature: 1.350000 Total energy: -2095.542443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.542443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.542443 (E_RNA) where: Base-Base interactions energy: -1443.760 where: short stacking energy: -593.542 Base-Backbone interact. energy: -2.449 local terms energy: -649.333201 where: bonds (distance) C4'-P energy: -102.626 bonds (distance) P-C4' energy: -142.729 flat angles C4'-P-C4' energy: -153.324 flat angles P-C4'-P energy: -88.533 tors. eta vs tors. theta energy: -162.122 Dist. restrs. and SS energy: 0.000 (S_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: 490 Temperature: 0.900000 Total energy: -2690.315866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.315866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.315866 (E_RNA) where: Base-Base interactions energy: -1932.683 where: short stacking energy: -760.801 Base-Backbone interact. energy: -1.752 local terms energy: -755.880838 where: bonds (distance) C4'-P energy: -109.242 bonds (distance) P-C4' energy: -150.559 flat angles C4'-P-C4' energy: -163.811 flat angles P-C4'-P energy: -104.118 tors. eta vs tors. theta energy: -228.151 Dist. restrs. and SS energy: 0.000 (S_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: 490 Temperature: 0.950000 Total energy: -2699.865078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.865078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.865078 (E_RNA) where: Base-Base interactions energy: -1919.620 where: short stacking energy: -783.205 Base-Backbone interact. energy: -4.409 local terms energy: -775.835910 where: bonds (distance) C4'-P energy: -120.641 bonds (distance) P-C4' energy: -154.026 flat angles C4'-P-C4' energy: -157.156 flat angles P-C4'-P energy: -109.010 tors. eta vs tors. theta energy: -235.002 Dist. restrs. and SS energy: 0.000 (S_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: 490 Temperature: 1.000000 Total energy: -2586.118576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.118576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.118576 (E_RNA) where: Base-Base interactions energy: -1822.761 where: short stacking energy: -726.767 Base-Backbone interact. energy: -1.436 local terms energy: -761.921601 where: bonds (distance) C4'-P energy: -127.946 bonds (distance) P-C4' energy: -156.102 flat angles C4'-P-C4' energy: -152.862 flat angles P-C4'-P energy: -104.795 tors. eta vs tors. theta energy: -220.215 Dist. restrs. and SS energy: 0.000 (S_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: 490 Temperature: 1.050000 Total energy: -2596.638435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.638435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.638435 (E_RNA) where: Base-Base interactions energy: -1833.475 where: short stacking energy: -753.005 Base-Backbone interact. energy: -0.861 local terms energy: -762.302722 where: bonds (distance) C4'-P energy: -125.351 bonds (distance) P-C4' energy: -143.891 flat angles C4'-P-C4' energy: -161.250 flat angles P-C4'-P energy: -101.469 tors. eta vs tors. theta energy: -230.342 Dist. restrs. and SS energy: 0.000 (S_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: 490 Temperature: 1.100000 Total energy: -2484.752364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.752364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.752364 (E_RNA) where: Base-Base interactions energy: -1758.713 where: short stacking energy: -715.543 Base-Backbone interact. energy: -0.950 local terms energy: -725.089194 where: bonds (distance) C4'-P energy: -110.957 bonds (distance) P-C4' energy: -144.058 flat angles C4'-P-C4' energy: -155.032 flat angles P-C4'-P energy: -106.518 tors. eta vs tors. theta energy: -208.526 Dist. restrs. and SS energy: 0.000 (S_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: 490 Temperature: 1.150000 Total energy: -2442.228861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.228861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.228861 (E_RNA) where: Base-Base interactions energy: -1751.277 where: short stacking energy: -711.236 Base-Backbone interact. energy: -1.521 local terms energy: -689.430889 where: bonds (distance) C4'-P energy: -92.793 bonds (distance) P-C4' energy: -143.898 flat angles C4'-P-C4' energy: -144.231 flat angles P-C4'-P energy: -97.056 tors. eta vs tors. theta energy: -211.453 Dist. restrs. and SS energy: 0.000 (S_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: 490 Temperature: 1.200000 Total energy: -2371.347976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.347976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.347976 (E_RNA) where: Base-Base interactions energy: -1648.602 where: short stacking energy: -667.624 Base-Backbone interact. energy: -0.501 local terms energy: -722.245373 where: bonds (distance) C4'-P energy: -119.967 bonds (distance) P-C4' energy: -145.624 flat angles C4'-P-C4' energy: -155.397 flat angles P-C4'-P energy: -95.799 tors. eta vs tors. theta energy: -205.460 Dist. restrs. and SS energy: 0.000 (S_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: 490 Temperature: 1.250000 Total energy: -2262.151719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.151719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.151719 (E_RNA) where: Base-Base interactions energy: -1608.418 where: short stacking energy: -644.483 Base-Backbone interact. energy: 1.216 local terms energy: -654.949384 where: bonds (distance) C4'-P energy: -98.810 bonds (distance) P-C4' energy: -128.125 flat angles C4'-P-C4' energy: -131.154 flat angles P-C4'-P energy: -100.809 tors. eta vs tors. theta energy: -196.051 Dist. restrs. and SS energy: 0.000 (S_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: 490 Temperature: 1.300000 Total energy: -2115.100864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.100864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.100864 (E_RNA) where: Base-Base interactions energy: -1466.364 where: short stacking energy: -615.762 Base-Backbone interact. energy: -0.160 local terms energy: -648.576507 where: bonds (distance) C4'-P energy: -110.882 bonds (distance) P-C4' energy: -132.718 flat angles C4'-P-C4' energy: -141.235 flat angles P-C4'-P energy: -98.366 tors. eta vs tors. theta energy: -165.376 Dist. restrs. and SS energy: 0.000 (S_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: 490 Temperature: 1.350000 Total energy: -2066.587398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.587398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.587398 (E_RNA) where: Base-Base interactions energy: -1424.341 where: short stacking energy: -590.404 Base-Backbone interact. energy: -1.811 local terms energy: -640.435311 where: bonds (distance) C4'-P energy: -108.426 bonds (distance) P-C4' energy: -119.754 flat angles C4'-P-C4' energy: -138.869 flat angles P-C4'-P energy: -99.821 tors. eta vs tors. theta energy: -173.565 Dist. restrs. and SS energy: 0.000 (S_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: 491 Temperature: 0.900000 Total energy: -2682.147959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.147959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.147959 (E_RNA) where: Base-Base interactions energy: -1911.566 where: short stacking energy: -753.623 Base-Backbone interact. energy: -1.103 local terms energy: -769.478708 where: bonds (distance) C4'-P energy: -121.867 bonds (distance) P-C4' energy: -151.662 flat angles C4'-P-C4' energy: -163.219 flat angles P-C4'-P energy: -108.387 tors. eta vs tors. theta energy: -224.343 Dist. restrs. and SS energy: 0.000 (S_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: 491 Temperature: 0.950000 Total energy: -2678.584583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.584583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.584583 (E_RNA) where: Base-Base interactions energy: -1907.655 where: short stacking energy: -751.579 Base-Backbone interact. energy: -3.662 local terms energy: -767.267021 where: bonds (distance) C4'-P energy: -125.172 bonds (distance) P-C4' energy: -146.600 flat angles C4'-P-C4' energy: -156.901 flat angles P-C4'-P energy: -108.214 tors. eta vs tors. theta energy: -230.380 Dist. restrs. and SS energy: 0.000 (S_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: 491 Temperature: 1.000000 Total energy: -2598.939623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.939623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.939623 (E_RNA) where: Base-Base interactions energy: -1841.694 where: short stacking energy: -733.818 Base-Backbone interact. energy: -1.275 local terms energy: -755.971062 where: bonds (distance) C4'-P energy: -123.522 bonds (distance) P-C4' energy: -154.085 flat angles C4'-P-C4' energy: -155.164 flat angles P-C4'-P energy: -104.699 tors. eta vs tors. theta energy: -218.501 Dist. restrs. and SS energy: 0.000 (S_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: 491 Temperature: 1.050000 Total energy: -2599.170155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.170155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.170155 (E_RNA) where: Base-Base interactions energy: -1845.284 where: short stacking energy: -747.794 Base-Backbone interact. energy: -2.691 local terms energy: -751.195446 where: bonds (distance) C4'-P energy: -110.196 bonds (distance) P-C4' energy: -150.530 flat angles C4'-P-C4' energy: -155.883 flat angles P-C4'-P energy: -104.393 tors. eta vs tors. theta energy: -230.193 Dist. restrs. and SS energy: 0.000 (S_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: 491 Temperature: 1.100000 Total energy: -2525.082475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.082475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.082475 (E_RNA) where: Base-Base interactions energy: -1785.416 where: short stacking energy: -721.213 Base-Backbone interact. energy: -2.595 local terms energy: -737.071423 where: bonds (distance) C4'-P energy: -117.024 bonds (distance) P-C4' energy: -144.562 flat angles C4'-P-C4' energy: -154.619 flat angles P-C4'-P energy: -102.601 tors. eta vs tors. theta energy: -218.265 Dist. restrs. and SS energy: 0.000 (S_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: 491 Temperature: 1.150000 Total energy: -2443.217224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.217224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.217224 (E_RNA) where: Base-Base interactions energy: -1743.550 where: short stacking energy: -706.809 Base-Backbone interact. energy: -2.187 local terms energy: -697.480647 where: bonds (distance) C4'-P energy: -109.198 bonds (distance) P-C4' energy: -143.488 flat angles C4'-P-C4' energy: -151.545 flat angles P-C4'-P energy: -99.132 tors. eta vs tors. theta energy: -194.117 Dist. restrs. and SS energy: 0.000 (S_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: 491 Temperature: 1.200000 Total energy: -2385.312951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.312951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.312951 (E_RNA) where: Base-Base interactions energy: -1693.316 where: short stacking energy: -683.014 Base-Backbone interact. energy: -1.148 local terms energy: -690.848775 where: bonds (distance) C4'-P energy: -110.425 bonds (distance) P-C4' energy: -137.338 flat angles C4'-P-C4' energy: -142.774 flat angles P-C4'-P energy: -95.359 tors. eta vs tors. theta energy: -204.953 Dist. restrs. and SS energy: 0.000 (S_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: 491 Temperature: 1.250000 Total energy: -2268.120821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.120821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.120821 (E_RNA) where: Base-Base interactions energy: -1621.619 where: short stacking energy: -663.527 Base-Backbone interact. energy: -1.718 local terms energy: -644.784162 where: bonds (distance) C4'-P energy: -94.671 bonds (distance) P-C4' energy: -123.071 flat angles C4'-P-C4' energy: -136.890 flat angles P-C4'-P energy: -91.236 tors. eta vs tors. theta energy: -198.917 Dist. restrs. and SS energy: 0.000 (S_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: 491 Temperature: 1.300000 Total energy: -2156.555042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.555042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.555042 (E_RNA) where: Base-Base interactions energy: -1514.927 where: short stacking energy: -611.693 Base-Backbone interact. energy: -1.363 local terms energy: -640.265076 where: bonds (distance) C4'-P energy: -93.082 bonds (distance) P-C4' energy: -138.217 flat angles C4'-P-C4' energy: -137.790 flat angles P-C4'-P energy: -91.722 tors. eta vs tors. theta energy: -179.454 Dist. restrs. and SS energy: 0.000 (S_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: 491 Temperature: 1.350000 Total energy: -2075.168714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.168714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.168714 (E_RNA) where: Base-Base interactions energy: -1449.730 where: short stacking energy: -588.522 Base-Backbone interact. energy: 4.815 local terms energy: -630.254460 where: bonds (distance) C4'-P energy: -114.096 bonds (distance) P-C4' energy: -140.481 flat angles C4'-P-C4' energy: -142.790 flat angles P-C4'-P energy: -70.211 tors. eta vs tors. theta energy: -162.675 Dist. restrs. and SS energy: 0.000 (S_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: 492 Temperature: 0.900000 Total energy: -2717.760980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.760980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.760980 (E_RNA) where: Base-Base interactions energy: -1933.481 where: short stacking energy: -758.983 Base-Backbone interact. energy: -2.410 local terms energy: -781.870176 where: bonds (distance) C4'-P energy: -129.929 bonds (distance) P-C4' energy: -158.620 flat angles C4'-P-C4' energy: -158.599 flat angles P-C4'-P energy: -108.417 tors. eta vs tors. theta energy: -226.306 Dist. restrs. and SS energy: 0.000 (S_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: 492 Temperature: 0.950000 Total energy: -2651.338781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.338781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.338781 (E_RNA) where: Base-Base interactions energy: -1889.170 where: short stacking energy: -732.874 Base-Backbone interact. energy: -1.052 local terms energy: -761.116299 where: bonds (distance) C4'-P energy: -113.663 bonds (distance) P-C4' energy: -161.750 flat angles C4'-P-C4' energy: -160.472 flat angles P-C4'-P energy: -102.870 tors. eta vs tors. theta energy: -222.362 Dist. restrs. and SS energy: 0.000 (S_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: 492 Temperature: 1.000000 Total energy: -2612.905586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.905586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.905586 (E_RNA) where: Base-Base interactions energy: -1845.732 where: short stacking energy: -763.762 Base-Backbone interact. energy: -1.415 local terms energy: -765.758186 where: bonds (distance) C4'-P energy: -120.544 bonds (distance) P-C4' energy: -144.999 flat angles C4'-P-C4' energy: -160.099 flat angles P-C4'-P energy: -111.850 tors. eta vs tors. theta energy: -228.266 Dist. restrs. and SS energy: 0.000 (S_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: 492 Temperature: 1.050000 Total energy: -2539.139605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.139605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.139605 (E_RNA) where: Base-Base interactions energy: -1798.733 where: short stacking energy: -718.195 Base-Backbone interact. energy: -2.019 local terms energy: -738.387413 where: bonds (distance) C4'-P energy: -124.514 bonds (distance) P-C4' energy: -154.705 flat angles C4'-P-C4' energy: -147.474 flat angles P-C4'-P energy: -108.683 tors. eta vs tors. theta energy: -203.011 Dist. restrs. and SS energy: 0.000 (S_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: 492 Temperature: 1.100000 Total energy: -2507.362468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.362468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.362468 (E_RNA) where: Base-Base interactions energy: -1770.437 where: short stacking energy: -700.662 Base-Backbone interact. energy: 2.043 local terms energy: -738.967585 where: bonds (distance) C4'-P energy: -117.478 bonds (distance) P-C4' energy: -144.937 flat angles C4'-P-C4' energy: -156.238 flat angles P-C4'-P energy: -109.527 tors. eta vs tors. theta energy: -210.788 Dist. restrs. and SS energy: 0.000 (S_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: 492 Temperature: 1.150000 Total energy: -2479.891007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.891007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.891007 (E_RNA) where: Base-Base interactions energy: -1737.049 where: short stacking energy: -702.478 Base-Backbone interact. energy: -1.975 local terms energy: -740.866774 where: bonds (distance) C4'-P energy: -120.694 bonds (distance) P-C4' energy: -145.597 flat angles C4'-P-C4' energy: -154.023 flat angles P-C4'-P energy: -103.297 tors. eta vs tors. theta energy: -217.256 Dist. restrs. and SS energy: 0.000 (S_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: 492 Temperature: 1.200000 Total energy: -2427.374280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.374280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.374280 (E_RNA) where: Base-Base interactions energy: -1728.248 where: short stacking energy: -712.913 Base-Backbone interact. energy: -0.994 local terms energy: -698.132040 where: bonds (distance) C4'-P energy: -110.833 bonds (distance) P-C4' energy: -125.073 flat angles C4'-P-C4' energy: -153.172 flat angles P-C4'-P energy: -94.104 tors. eta vs tors. theta energy: -214.949 Dist. restrs. and SS energy: 0.000 (S_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: 492 Temperature: 1.250000 Total energy: -2233.011292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.011292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.011292 (E_RNA) where: Base-Base interactions energy: -1548.369 where: short stacking energy: -649.297 Base-Backbone interact. energy: 0.965 local terms energy: -685.607287 where: bonds (distance) C4'-P energy: -109.748 bonds (distance) P-C4' energy: -139.160 flat angles C4'-P-C4' energy: -156.298 flat angles P-C4'-P energy: -96.103 tors. eta vs tors. theta energy: -184.298 Dist. restrs. and SS energy: 0.000 (S_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: 492 Temperature: 1.300000 Total energy: -2145.855346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.855346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.855346 (E_RNA) where: Base-Base interactions energy: -1493.466 where: short stacking energy: -623.457 Base-Backbone interact. energy: -2.055 local terms energy: -650.333944 where: bonds (distance) C4'-P energy: -96.397 bonds (distance) P-C4' energy: -140.010 flat angles C4'-P-C4' energy: -134.750 flat angles P-C4'-P energy: -96.118 tors. eta vs tors. theta energy: -183.058 Dist. restrs. and SS energy: 0.000 (S_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: 492 Temperature: 1.350000 Total energy: -2101.373933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.373933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.373933 (E_RNA) where: Base-Base interactions energy: -1465.050 where: short stacking energy: -615.291 Base-Backbone interact. energy: 0.214 local terms energy: -636.537661 where: bonds (distance) C4'-P energy: -101.034 bonds (distance) P-C4' energy: -127.413 flat angles C4'-P-C4' energy: -140.911 flat angles P-C4'-P energy: -90.189 tors. eta vs tors. theta energy: -176.991 Dist. restrs. and SS energy: 0.000 (S_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: 493 Temperature: 0.900000 Total energy: -2698.943583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.943583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.943583 (E_RNA) where: Base-Base interactions energy: -1917.528 where: short stacking energy: -762.430 Base-Backbone interact. energy: -2.563 local terms energy: -778.852367 where: bonds (distance) C4'-P energy: -121.423 bonds (distance) P-C4' energy: -163.024 flat angles C4'-P-C4' energy: -157.515 flat angles P-C4'-P energy: -111.021 tors. eta vs tors. theta energy: -225.870 Dist. restrs. and SS energy: 0.000 (S_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: 493 Temperature: 0.950000 Total energy: -2665.658640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.658640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.658640 (E_RNA) where: Base-Base interactions energy: -1905.871 where: short stacking energy: -755.674 Base-Backbone interact. energy: -0.978 local terms energy: -758.809986 where: bonds (distance) C4'-P energy: -115.728 bonds (distance) P-C4' energy: -155.001 flat angles C4'-P-C4' energy: -153.742 flat angles P-C4'-P energy: -110.141 tors. eta vs tors. theta energy: -224.199 Dist. restrs. and SS energy: 0.000 (S_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: 493 Temperature: 1.000000 Total energy: -2620.781387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.781387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.781387 (E_RNA) where: Base-Base interactions energy: -1845.954 where: short stacking energy: -756.847 Base-Backbone interact. energy: -1.828 local terms energy: -772.999307 where: bonds (distance) C4'-P energy: -132.945 bonds (distance) P-C4' energy: -139.223 flat angles C4'-P-C4' energy: -161.297 flat angles P-C4'-P energy: -108.874 tors. eta vs tors. theta energy: -230.661 Dist. restrs. and SS energy: 0.000 (S_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: 493 Temperature: 1.050000 Total energy: -2544.268896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.268896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.268896 (E_RNA) where: Base-Base interactions energy: -1812.407 where: short stacking energy: -726.447 Base-Backbone interact. energy: -2.525 local terms energy: -729.336335 where: bonds (distance) C4'-P energy: -116.731 bonds (distance) P-C4' energy: -149.923 flat angles C4'-P-C4' energy: -146.498 flat angles P-C4'-P energy: -108.445 tors. eta vs tors. theta energy: -207.740 Dist. restrs. and SS energy: 0.000 (S_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: 493 Temperature: 1.100000 Total energy: -2507.040072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.040072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.040072 (E_RNA) where: Base-Base interactions energy: -1758.988 where: short stacking energy: -704.296 Base-Backbone interact. energy: -2.322 local terms energy: -745.729694 where: bonds (distance) C4'-P energy: -112.236 bonds (distance) P-C4' energy: -149.972 flat angles C4'-P-C4' energy: -154.465 flat angles P-C4'-P energy: -112.227 tors. eta vs tors. theta energy: -216.829 Dist. restrs. and SS energy: 0.000 (S_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: 493 Temperature: 1.150000 Total energy: -2411.391663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.391663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.391663 (E_RNA) where: Base-Base interactions energy: -1703.359 where: short stacking energy: -695.045 Base-Backbone interact. energy: -1.165 local terms energy: -706.868503 where: bonds (distance) C4'-P energy: -111.727 bonds (distance) P-C4' energy: -145.625 flat angles C4'-P-C4' energy: -143.219 flat angles P-C4'-P energy: -100.791 tors. eta vs tors. theta energy: -205.505 Dist. restrs. and SS energy: 0.000 (S_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: 493 Temperature: 1.200000 Total energy: -2410.599385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.599385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.599385 (E_RNA) where: Base-Base interactions energy: -1716.880 where: short stacking energy: -693.238 Base-Backbone interact. energy: 5.002 local terms energy: -698.721336 where: bonds (distance) C4'-P energy: -101.215 bonds (distance) P-C4' energy: -148.242 flat angles C4'-P-C4' energy: -141.943 flat angles P-C4'-P energy: -101.982 tors. eta vs tors. theta energy: -205.339 Dist. restrs. and SS energy: 0.000 (S_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: 493 Temperature: 1.250000 Total energy: -2285.054337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.054337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.054337 (E_RNA) where: Base-Base interactions energy: -1585.955 where: short stacking energy: -668.723 Base-Backbone interact. energy: -2.055 local terms energy: -697.044852 where: bonds (distance) C4'-P energy: -102.828 bonds (distance) P-C4' energy: -151.268 flat angles C4'-P-C4' energy: -147.709 flat angles P-C4'-P energy: -95.233 tors. eta vs tors. theta energy: -200.008 Dist. restrs. and SS energy: 0.000 (S_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: 493 Temperature: 1.300000 Total energy: -2189.747445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.747445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.747445 (E_RNA) where: Base-Base interactions energy: -1536.372 where: short stacking energy: -611.895 Base-Backbone interact. energy: -1.891 local terms energy: -651.484019 where: bonds (distance) C4'-P energy: -112.407 bonds (distance) P-C4' energy: -147.389 flat angles C4'-P-C4' energy: -131.781 flat angles P-C4'-P energy: -83.633 tors. eta vs tors. theta energy: -176.274 Dist. restrs. and SS energy: 0.000 (S_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: 493 Temperature: 1.350000 Total energy: -2061.533772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.533772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.533772 (E_RNA) where: Base-Base interactions energy: -1412.125 where: short stacking energy: -572.627 Base-Backbone interact. energy: -1.294 local terms energy: -648.114982 where: bonds (distance) C4'-P energy: -105.031 bonds (distance) P-C4' energy: -138.078 flat angles C4'-P-C4' energy: -153.133 flat angles P-C4'-P energy: -86.435 tors. eta vs tors. theta energy: -165.438 Dist. restrs. and SS energy: 0.000 (S_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: 494 Temperature: 0.900000 Total energy: -2707.973771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.973771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.973771 (E_RNA) where: Base-Base interactions energy: -1929.507 where: short stacking energy: -762.632 Base-Backbone interact. energy: 0.071 local terms energy: -778.537954 where: bonds (distance) C4'-P energy: -126.262 bonds (distance) P-C4' energy: -153.165 flat angles C4'-P-C4' energy: -158.680 flat angles P-C4'-P energy: -116.110 tors. eta vs tors. theta energy: -224.322 Dist. restrs. and SS energy: 0.000 (S_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: 494 Temperature: 0.950000 Total energy: -2658.939308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.939308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.939308 (E_RNA) where: Base-Base interactions energy: -1916.564 where: short stacking energy: -751.775 Base-Backbone interact. energy: -1.003 local terms energy: -741.372122 where: bonds (distance) C4'-P energy: -106.692 bonds (distance) P-C4' energy: -144.256 flat angles C4'-P-C4' energy: -159.517 flat angles P-C4'-P energy: -107.933 tors. eta vs tors. theta energy: -222.974 Dist. restrs. and SS energy: 0.000 (S_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: 494 Temperature: 1.000000 Total energy: -2596.667342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.667342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.667342 (E_RNA) where: Base-Base interactions energy: -1837.255 where: short stacking energy: -741.683 Base-Backbone interact. energy: -2.764 local terms energy: -756.647855 where: bonds (distance) C4'-P energy: -122.377 bonds (distance) P-C4' energy: -153.682 flat angles C4'-P-C4' energy: -156.119 flat angles P-C4'-P energy: -105.059 tors. eta vs tors. theta energy: -219.410 Dist. restrs. and SS energy: 0.000 (S_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: 494 Temperature: 1.050000 Total energy: -2537.450755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.450755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.450755 (E_RNA) where: Base-Base interactions energy: -1792.257 where: short stacking energy: -729.695 Base-Backbone interact. energy: -1.195 local terms energy: -743.998720 where: bonds (distance) C4'-P energy: -126.358 bonds (distance) P-C4' energy: -134.010 flat angles C4'-P-C4' energy: -156.967 flat angles P-C4'-P energy: -113.627 tors. eta vs tors. theta energy: -213.036 Dist. restrs. and SS energy: 0.000 (S_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: 494 Temperature: 1.100000 Total energy: -2485.105740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.105740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.105740 (E_RNA) where: Base-Base interactions energy: -1755.990 where: short stacking energy: -701.855 Base-Backbone interact. energy: -2.285 local terms energy: -726.830256 where: bonds (distance) C4'-P energy: -109.629 bonds (distance) P-C4' energy: -149.161 flat angles C4'-P-C4' energy: -152.584 flat angles P-C4'-P energy: -98.911 tors. eta vs tors. theta energy: -216.545 Dist. restrs. and SS energy: 0.000 (S_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: 494 Temperature: 1.150000 Total energy: -2416.723076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.723076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.723076 (E_RNA) where: Base-Base interactions energy: -1699.435 where: short stacking energy: -694.609 Base-Backbone interact. energy: 0.417 local terms energy: -717.705122 where: bonds (distance) C4'-P energy: -105.429 bonds (distance) P-C4' energy: -137.633 flat angles C4'-P-C4' energy: -156.958 flat angles P-C4'-P energy: -109.307 tors. eta vs tors. theta energy: -208.377 Dist. restrs. and SS energy: 0.000 (S_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: 494 Temperature: 1.200000 Total energy: -2425.937569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.937569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.937569 (E_RNA) where: Base-Base interactions energy: -1712.718 where: short stacking energy: -693.136 Base-Backbone interact. energy: 0.858 local terms energy: -714.077443 where: bonds (distance) C4'-P energy: -108.917 bonds (distance) P-C4' energy: -152.330 flat angles C4'-P-C4' energy: -145.588 flat angles P-C4'-P energy: -97.063 tors. eta vs tors. theta energy: -210.180 Dist. restrs. and SS energy: 0.000 (S_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: 494 Temperature: 1.250000 Total energy: -2257.256075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.256075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.256075 (E_RNA) where: Base-Base interactions energy: -1576.457 where: short stacking energy: -655.436 Base-Backbone interact. energy: -1.793 local terms energy: -679.005476 where: bonds (distance) C4'-P energy: -105.493 bonds (distance) P-C4' energy: -136.164 flat angles C4'-P-C4' energy: -152.265 flat angles P-C4'-P energy: -94.227 tors. eta vs tors. theta energy: -190.858 Dist. restrs. and SS energy: 0.000 (S_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: 494 Temperature: 1.300000 Total energy: -2223.163675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.163675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.163675 (E_RNA) where: Base-Base interactions energy: -1555.507 where: short stacking energy: -655.548 Base-Backbone interact. energy: -1.663 local terms energy: -665.993727 where: bonds (distance) C4'-P energy: -100.209 bonds (distance) P-C4' energy: -147.851 flat angles C4'-P-C4' energy: -134.289 flat angles P-C4'-P energy: -81.614 tors. eta vs tors. theta energy: -202.030 Dist. restrs. and SS energy: 0.000 (S_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: 494 Temperature: 1.350000 Total energy: -2061.080566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.080566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.080566 (E_RNA) where: Base-Base interactions energy: -1428.689 where: short stacking energy: -580.810 Base-Backbone interact. energy: 0.833 local terms energy: -633.224899 where: bonds (distance) C4'-P energy: -89.969 bonds (distance) P-C4' energy: -151.853 flat angles C4'-P-C4' energy: -142.144 flat angles P-C4'-P energy: -91.057 tors. eta vs tors. theta energy: -158.202 Dist. restrs. and SS energy: 0.000 (S_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: 495 Temperature: 0.900000 Total energy: -2717.290285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.290285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.290285 (E_RNA) where: Base-Base interactions energy: -1941.780 where: short stacking energy: -767.343 Base-Backbone interact. energy: -0.435 local terms energy: -775.075419 where: bonds (distance) C4'-P energy: -114.751 bonds (distance) P-C4' energy: -154.014 flat angles C4'-P-C4' energy: -166.217 flat angles P-C4'-P energy: -113.414 tors. eta vs tors. theta energy: -226.679 Dist. restrs. and SS energy: 0.000 (S_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: 495 Temperature: 0.950000 Total energy: -2675.996268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.996268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.996268 (E_RNA) where: Base-Base interactions energy: -1931.773 where: short stacking energy: -765.803 Base-Backbone interact. energy: -0.989 local terms energy: -743.234320 where: bonds (distance) C4'-P energy: -117.637 bonds (distance) P-C4' energy: -143.018 flat angles C4'-P-C4' energy: -157.846 flat angles P-C4'-P energy: -99.809 tors. eta vs tors. theta energy: -224.924 Dist. restrs. and SS energy: 0.000 (S_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: 495 Temperature: 1.000000 Total energy: -2606.790945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.790945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.790945 (E_RNA) where: Base-Base interactions energy: -1854.520 where: short stacking energy: -743.365 Base-Backbone interact. energy: -2.905 local terms energy: -749.365890 where: bonds (distance) C4'-P energy: -107.936 bonds (distance) P-C4' energy: -153.798 flat angles C4'-P-C4' energy: -158.066 flat angles P-C4'-P energy: -106.776 tors. eta vs tors. theta energy: -222.788 Dist. restrs. and SS energy: 0.000 (S_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: 495 Temperature: 1.050000 Total energy: -2522.811985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.811985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.811985 (E_RNA) where: Base-Base interactions energy: -1774.316 where: short stacking energy: -714.124 Base-Backbone interact. energy: -2.197 local terms energy: -746.298467 where: bonds (distance) C4'-P energy: -116.731 bonds (distance) P-C4' energy: -150.459 flat angles C4'-P-C4' energy: -152.920 flat angles P-C4'-P energy: -111.571 tors. eta vs tors. theta energy: -214.618 Dist. restrs. and SS energy: 0.000 (S_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: 495 Temperature: 1.100000 Total energy: -2472.495407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.495407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.495407 (E_RNA) where: Base-Base interactions energy: -1758.705 where: short stacking energy: -705.146 Base-Backbone interact. energy: -3.481 local terms energy: -710.310250 where: bonds (distance) C4'-P energy: -115.595 bonds (distance) P-C4' energy: -133.796 flat angles C4'-P-C4' energy: -154.509 flat angles P-C4'-P energy: -92.955 tors. eta vs tors. theta energy: -213.455 Dist. restrs. and SS energy: 0.000 (S_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: 495 Temperature: 1.150000 Total energy: -2418.392273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.392273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.392273 (E_RNA) where: Base-Base interactions energy: -1704.230 where: short stacking energy: -706.565 Base-Backbone interact. energy: -3.207 local terms energy: -710.955400 where: bonds (distance) C4'-P energy: -102.436 bonds (distance) P-C4' energy: -144.195 flat angles C4'-P-C4' energy: -151.464 flat angles P-C4'-P energy: -102.211 tors. eta vs tors. theta energy: -210.649 Dist. restrs. and SS energy: 0.000 (S_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: 495 Temperature: 1.200000 Total energy: -2395.572850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.572850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.572850 (E_RNA) where: Base-Base interactions energy: -1695.344 where: short stacking energy: -674.547 Base-Backbone interact. energy: -0.525 local terms energy: -699.703056 where: bonds (distance) C4'-P energy: -102.082 bonds (distance) P-C4' energy: -137.378 flat angles C4'-P-C4' energy: -156.109 flat angles P-C4'-P energy: -106.457 tors. eta vs tors. theta energy: -197.676 Dist. restrs. and SS energy: 0.000 (S_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: 495 Temperature: 1.250000 Total energy: -2256.020081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.020081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.020081 (E_RNA) where: Base-Base interactions energy: -1594.440 where: short stacking energy: -651.024 Base-Backbone interact. energy: -1.656 local terms energy: -659.923774 where: bonds (distance) C4'-P energy: -91.734 bonds (distance) P-C4' energy: -143.796 flat angles C4'-P-C4' energy: -142.010 flat angles P-C4'-P energy: -88.839 tors. eta vs tors. theta energy: -193.545 Dist. restrs. and SS energy: 0.000 (S_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: 495 Temperature: 1.300000 Total energy: -2212.862356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.862356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.862356 (E_RNA) where: Base-Base interactions energy: -1535.936 where: short stacking energy: -635.044 Base-Backbone interact. energy: 1.666 local terms energy: -678.592444 where: bonds (distance) C4'-P energy: -99.788 bonds (distance) P-C4' energy: -141.930 flat angles C4'-P-C4' energy: -144.745 flat angles P-C4'-P energy: -100.142 tors. eta vs tors. theta energy: -191.988 Dist. restrs. and SS energy: 0.000 (S_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: 495 Temperature: 1.350000 Total energy: -2074.050761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.050761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.050761 (E_RNA) where: Base-Base interactions energy: -1457.849 where: short stacking energy: -605.078 Base-Backbone interact. energy: -1.843 local terms energy: -614.358704 where: bonds (distance) C4'-P energy: -94.564 bonds (distance) P-C4' energy: -129.840 flat angles C4'-P-C4' energy: -135.429 flat angles P-C4'-P energy: -86.142 tors. eta vs tors. theta energy: -168.383 Dist. restrs. and SS energy: 0.000 (S_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: 496 Temperature: 0.900000 Total energy: -2712.918528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.918528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.918528 (E_RNA) where: Base-Base interactions energy: -1927.844 where: short stacking energy: -759.108 Base-Backbone interact. energy: -3.090 local terms energy: -781.985313 where: bonds (distance) C4'-P energy: -130.488 bonds (distance) P-C4' energy: -158.283 flat angles C4'-P-C4' energy: -164.579 flat angles P-C4'-P energy: -107.355 tors. eta vs tors. theta energy: -221.281 Dist. restrs. and SS energy: 0.000 (S_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: 496 Temperature: 0.950000 Total energy: -2693.916349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.916349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.916349 (E_RNA) where: Base-Base interactions energy: -1919.054 where: short stacking energy: -761.836 Base-Backbone interact. energy: 0.631 local terms energy: -775.492923 where: bonds (distance) C4'-P energy: -127.951 bonds (distance) P-C4' energy: -157.685 flat angles C4'-P-C4' energy: -150.507 flat angles P-C4'-P energy: -113.200 tors. eta vs tors. theta energy: -226.149 Dist. restrs. and SS energy: 0.000 (S_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: 496 Temperature: 1.000000 Total energy: -2630.835867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.835867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.835867 (E_RNA) where: Base-Base interactions energy: -1865.492 where: short stacking energy: -753.788 Base-Backbone interact. energy: -3.301 local terms energy: -762.042809 where: bonds (distance) C4'-P energy: -118.473 bonds (distance) P-C4' energy: -149.779 flat angles C4'-P-C4' energy: -162.628 flat angles P-C4'-P energy: -104.103 tors. eta vs tors. theta energy: -227.061 Dist. restrs. and SS energy: 0.000 (S_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: 496 Temperature: 1.050000 Total energy: -2530.751739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.751739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.751739 (E_RNA) where: Base-Base interactions energy: -1810.190 where: short stacking energy: -719.898 Base-Backbone interact. energy: -1.724 local terms energy: -718.838219 where: bonds (distance) C4'-P energy: -104.391 bonds (distance) P-C4' energy: -146.537 flat angles C4'-P-C4' energy: -154.007 flat angles P-C4'-P energy: -95.858 tors. eta vs tors. theta energy: -218.046 Dist. restrs. and SS energy: 0.000 (S_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: 496 Temperature: 1.100000 Total energy: -2501.828180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.828180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.828180 (E_RNA) where: Base-Base interactions energy: -1767.407 where: short stacking energy: -715.591 Base-Backbone interact. energy: -1.327 local terms energy: -733.093907 where: bonds (distance) C4'-P energy: -113.177 bonds (distance) P-C4' energy: -146.309 flat angles C4'-P-C4' energy: -163.056 flat angles P-C4'-P energy: -96.579 tors. eta vs tors. theta energy: -213.974 Dist. restrs. and SS energy: 0.000 (S_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: 496 Temperature: 1.150000 Total energy: -2413.208475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.208475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.208475 (E_RNA) where: Base-Base interactions energy: -1682.464 where: short stacking energy: -691.030 Base-Backbone interact. energy: -2.068 local terms energy: -728.675976 where: bonds (distance) C4'-P energy: -124.867 bonds (distance) P-C4' energy: -144.672 flat angles C4'-P-C4' energy: -149.769 flat angles P-C4'-P energy: -103.160 tors. eta vs tors. theta energy: -206.208 Dist. restrs. and SS energy: 0.000 (S_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: 496 Temperature: 1.200000 Total energy: -2428.331069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.331069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.331069 (E_RNA) where: Base-Base interactions energy: -1725.278 where: short stacking energy: -702.838 Base-Backbone interact. energy: -1.728 local terms energy: -701.324721 where: bonds (distance) C4'-P energy: -108.897 bonds (distance) P-C4' energy: -148.213 flat angles C4'-P-C4' energy: -141.055 flat angles P-C4'-P energy: -87.774 tors. eta vs tors. theta energy: -215.384 Dist. restrs. and SS energy: 0.000 (S_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: 496 Temperature: 1.250000 Total energy: -2236.055980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.055980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.055980 (E_RNA) where: Base-Base interactions energy: -1564.116 where: short stacking energy: -639.947 Base-Backbone interact. energy: -2.049 local terms energy: -669.890875 where: bonds (distance) C4'-P energy: -107.042 bonds (distance) P-C4' energy: -144.473 flat angles C4'-P-C4' energy: -142.389 flat angles P-C4'-P energy: -89.379 tors. eta vs tors. theta energy: -186.608 Dist. restrs. and SS energy: 0.000 (S_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: 496 Temperature: 1.300000 Total energy: -2159.037051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.037051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.037051 (E_RNA) where: Base-Base interactions energy: -1509.292 where: short stacking energy: -631.837 Base-Backbone interact. energy: -1.756 local terms energy: -647.988431 where: bonds (distance) C4'-P energy: -104.356 bonds (distance) P-C4' energy: -122.440 flat angles C4'-P-C4' energy: -141.785 flat angles P-C4'-P energy: -96.827 tors. eta vs tors. theta energy: -182.581 Dist. restrs. and SS energy: 0.000 (S_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: 496 Temperature: 1.350000 Total energy: -1992.883820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.883820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.883820 (E_RNA) where: Base-Base interactions energy: -1379.663 where: short stacking energy: -567.891 Base-Backbone interact. energy: -1.063 local terms energy: -612.157834 where: bonds (distance) C4'-P energy: -85.486 bonds (distance) P-C4' energy: -134.670 flat angles C4'-P-C4' energy: -140.631 flat angles P-C4'-P energy: -105.747 tors. eta vs tors. theta energy: -145.624 Dist. restrs. and SS energy: 0.000 (S_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: 497 Temperature: 0.900000 Total energy: -2705.140588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.140588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.140588 (E_RNA) where: Base-Base interactions energy: -1921.489 where: short stacking energy: -759.120 Base-Backbone interact. energy: -0.201 local terms energy: -783.451359 where: bonds (distance) C4'-P energy: -121.674 bonds (distance) P-C4' energy: -156.294 flat angles C4'-P-C4' energy: -161.277 flat angles P-C4'-P energy: -123.293 tors. eta vs tors. theta energy: -220.913 Dist. restrs. and SS energy: 0.000 (S_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: 497 Temperature: 0.950000 Total energy: -2694.919246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.919246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.919246 (E_RNA) where: Base-Base interactions energy: -1924.654 where: short stacking energy: -753.992 Base-Backbone interact. energy: -2.141 local terms energy: -768.123762 where: bonds (distance) C4'-P energy: -122.620 bonds (distance) P-C4' energy: -148.252 flat angles C4'-P-C4' energy: -157.598 flat angles P-C4'-P energy: -114.240 tors. eta vs tors. theta energy: -225.414 Dist. restrs. and SS energy: 0.000 (S_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: 497 Temperature: 1.000000 Total energy: -2597.191476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.191476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.191476 (E_RNA) where: Base-Base interactions energy: -1828.477 where: short stacking energy: -739.862 Base-Backbone interact. energy: -2.098 local terms energy: -766.616662 where: bonds (distance) C4'-P energy: -120.966 bonds (distance) P-C4' energy: -154.677 flat angles C4'-P-C4' energy: -165.967 flat angles P-C4'-P energy: -107.390 tors. eta vs tors. theta energy: -217.617 Dist. restrs. and SS energy: 0.000 (S_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: 497 Temperature: 1.050000 Total energy: -2561.030002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.030002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.030002 (E_RNA) where: Base-Base interactions energy: -1818.578 where: short stacking energy: -709.211 Base-Backbone interact. energy: -0.721 local terms energy: -741.730799 where: bonds (distance) C4'-P energy: -105.139 bonds (distance) P-C4' energy: -154.370 flat angles C4'-P-C4' energy: -155.955 flat angles P-C4'-P energy: -112.098 tors. eta vs tors. theta energy: -214.168 Dist. restrs. and SS energy: 0.000 (S_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: 497 Temperature: 1.100000 Total energy: -2483.284615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.284615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.284615 (E_RNA) where: Base-Base interactions energy: -1747.263 where: short stacking energy: -705.375 Base-Backbone interact. energy: -1.153 local terms energy: -734.868565 where: bonds (distance) C4'-P energy: -115.290 bonds (distance) P-C4' energy: -147.845 flat angles C4'-P-C4' energy: -148.013 flat angles P-C4'-P energy: -106.194 tors. eta vs tors. theta energy: -217.528 Dist. restrs. and SS energy: 0.000 (S_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: 497 Temperature: 1.150000 Total energy: -2393.463069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.463069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.463069 (E_RNA) where: Base-Base interactions energy: -1698.239 where: short stacking energy: -683.572 Base-Backbone interact. energy: -3.344 local terms energy: -691.879661 where: bonds (distance) C4'-P energy: -110.951 bonds (distance) P-C4' energy: -133.930 flat angles C4'-P-C4' energy: -144.841 flat angles P-C4'-P energy: -104.083 tors. eta vs tors. theta energy: -198.075 Dist. restrs. and SS energy: 0.000 (S_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: 497 Temperature: 1.200000 Total energy: -2403.027897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.027897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.027897 (E_RNA) where: Base-Base interactions energy: -1700.084 where: short stacking energy: -673.667 Base-Backbone interact. energy: -2.008 local terms energy: -700.936190 where: bonds (distance) C4'-P energy: -122.894 bonds (distance) P-C4' energy: -136.888 flat angles C4'-P-C4' energy: -145.962 flat angles P-C4'-P energy: -97.612 tors. eta vs tors. theta energy: -197.581 Dist. restrs. and SS energy: 0.000 (S_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: 497 Temperature: 1.250000 Total energy: -2275.042741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.042741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.042741 (E_RNA) where: Base-Base interactions energy: -1585.686 where: short stacking energy: -655.931 Base-Backbone interact. energy: 1.277 local terms energy: -690.633381 where: bonds (distance) C4'-P energy: -106.142 bonds (distance) P-C4' energy: -147.086 flat angles C4'-P-C4' energy: -141.386 flat angles P-C4'-P energy: -97.055 tors. eta vs tors. theta energy: -198.966 Dist. restrs. and SS energy: 0.000 (S_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: 497 Temperature: 1.300000 Total energy: -2147.159135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.159135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.159135 (E_RNA) where: Base-Base interactions energy: -1467.446 where: short stacking energy: -622.367 Base-Backbone interact. energy: -0.373 local terms energy: -679.340786 where: bonds (distance) C4'-P energy: -108.220 bonds (distance) P-C4' energy: -144.320 flat angles C4'-P-C4' energy: -141.752 flat angles P-C4'-P energy: -95.094 tors. eta vs tors. theta energy: -189.955 Dist. restrs. and SS energy: 0.000 (S_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: 497 Temperature: 1.350000 Total energy: -2009.815374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.815374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.815374 (E_RNA) where: Base-Base interactions energy: -1380.914 where: short stacking energy: -567.245 Base-Backbone interact. energy: -1.716 local terms energy: -627.185759 where: bonds (distance) C4'-P energy: -96.494 bonds (distance) P-C4' energy: -145.730 flat angles C4'-P-C4' energy: -139.326 flat angles P-C4'-P energy: -80.356 tors. eta vs tors. theta energy: -165.280 Dist. restrs. and SS energy: 0.000 (S_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: 498 Temperature: 0.900000 Total energy: -2721.117884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.117884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.117884 (E_RNA) where: Base-Base interactions energy: -1946.372 where: short stacking energy: -760.006 Base-Backbone interact. energy: -2.517 local terms energy: -772.228459 where: bonds (distance) C4'-P energy: -121.099 bonds (distance) P-C4' energy: -152.374 flat angles C4'-P-C4' energy: -162.946 flat angles P-C4'-P energy: -109.313 tors. eta vs tors. theta energy: -226.496 Dist. restrs. and SS energy: 0.000 (S_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: 498 Temperature: 0.950000 Total energy: -2683.315676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.315676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.315676 (E_RNA) where: Base-Base interactions energy: -1907.419 where: short stacking energy: -761.682 Base-Backbone interact. energy: -0.359 local terms energy: -775.537324 where: bonds (distance) C4'-P energy: -128.508 bonds (distance) P-C4' energy: -147.039 flat angles C4'-P-C4' energy: -161.233 flat angles P-C4'-P energy: -111.213 tors. eta vs tors. theta energy: -227.543 Dist. restrs. and SS energy: 0.000 (S_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: 498 Temperature: 1.000000 Total energy: -2593.003200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.003200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.003200 (E_RNA) where: Base-Base interactions energy: -1840.166 where: short stacking energy: -721.555 Base-Backbone interact. energy: -1.541 local terms energy: -751.296111 where: bonds (distance) C4'-P energy: -126.492 bonds (distance) P-C4' energy: -148.127 flat angles C4'-P-C4' energy: -148.167 flat angles P-C4'-P energy: -115.567 tors. eta vs tors. theta energy: -212.943 Dist. restrs. and SS energy: 0.000 (S_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: 498 Temperature: 1.050000 Total energy: -2583.228142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.228142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.228142 (E_RNA) where: Base-Base interactions energy: -1849.183 where: short stacking energy: -751.029 Base-Backbone interact. energy: -2.111 local terms energy: -731.934164 where: bonds (distance) C4'-P energy: -102.520 bonds (distance) P-C4' energy: -139.248 flat angles C4'-P-C4' energy: -162.136 flat angles P-C4'-P energy: -104.935 tors. eta vs tors. theta energy: -223.096 Dist. restrs. and SS energy: 0.000 (S_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: 498 Temperature: 1.100000 Total energy: -2494.897995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.897995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.897995 (E_RNA) where: Base-Base interactions energy: -1777.997 where: short stacking energy: -706.825 Base-Backbone interact. energy: -3.046 local terms energy: -713.854809 where: bonds (distance) C4'-P energy: -108.216 bonds (distance) P-C4' energy: -147.855 flat angles C4'-P-C4' energy: -147.340 flat angles P-C4'-P energy: -103.277 tors. eta vs tors. theta energy: -207.167 Dist. restrs. and SS energy: 0.000 (S_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: 498 Temperature: 1.150000 Total energy: -2372.696232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.696232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.696232 (E_RNA) where: Base-Base interactions energy: -1677.512 where: short stacking energy: -686.446 Base-Backbone interact. energy: -1.033 local terms energy: -694.150782 where: bonds (distance) C4'-P energy: -94.938 bonds (distance) P-C4' energy: -138.063 flat angles C4'-P-C4' energy: -154.197 flat angles P-C4'-P energy: -103.426 tors. eta vs tors. theta energy: -203.526 Dist. restrs. and SS energy: 0.000 (S_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: 498 Temperature: 1.200000 Total energy: -2395.576415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.576415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.576415 (E_RNA) where: Base-Base interactions energy: -1693.851 where: short stacking energy: -679.552 Base-Backbone interact. energy: -1.400 local terms energy: -700.325010 where: bonds (distance) C4'-P energy: -113.282 bonds (distance) P-C4' energy: -136.572 flat angles C4'-P-C4' energy: -156.609 flat angles P-C4'-P energy: -95.431 tors. eta vs tors. theta energy: -198.431 Dist. restrs. and SS energy: 0.000 (S_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: 498 Temperature: 1.250000 Total energy: -2290.851074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.851074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.851074 (E_RNA) where: Base-Base interactions energy: -1614.105 where: short stacking energy: -644.489 Base-Backbone interact. energy: 0.133 local terms energy: -676.878662 where: bonds (distance) C4'-P energy: -104.228 bonds (distance) P-C4' energy: -144.208 flat angles C4'-P-C4' energy: -142.061 flat angles P-C4'-P energy: -96.545 tors. eta vs tors. theta energy: -189.837 Dist. restrs. and SS energy: 0.000 (S_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: 498 Temperature: 1.300000 Total energy: -2029.281737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.281737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.281737 (E_RNA) where: Base-Base interactions energy: -1388.669 where: short stacking energy: -587.424 Base-Backbone interact. energy: -1.917 local terms energy: -638.695363 where: bonds (distance) C4'-P energy: -110.261 bonds (distance) P-C4' energy: -135.383 flat angles C4'-P-C4' energy: -145.645 flat angles P-C4'-P energy: -80.650 tors. eta vs tors. theta energy: -166.755 Dist. restrs. and SS energy: 0.000 (S_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: 498 Temperature: 1.350000 Total energy: -2113.407455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.407455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.407455 (E_RNA) where: Base-Base interactions energy: -1466.215 where: short stacking energy: -594.510 Base-Backbone interact. energy: -0.835 local terms energy: -646.357254 where: bonds (distance) C4'-P energy: -106.031 bonds (distance) P-C4' energy: -144.255 flat angles C4'-P-C4' energy: -129.420 flat angles P-C4'-P energy: -100.766 tors. eta vs tors. theta energy: -165.885 Dist. restrs. and SS energy: 0.000 (S_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: 499 Temperature: 0.900000 Total energy: -2710.527194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.527194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.527194 (E_RNA) where: Base-Base interactions energy: -1952.519 where: short stacking energy: -767.688 Base-Backbone interact. energy: -2.161 local terms energy: -755.847414 where: bonds (distance) C4'-P energy: -121.429 bonds (distance) P-C4' energy: -143.566 flat angles C4'-P-C4' energy: -157.457 flat angles P-C4'-P energy: -107.548 tors. eta vs tors. theta energy: -225.847 Dist. restrs. and SS energy: 0.000 (S_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: 499 Temperature: 0.950000 Total energy: -2690.715375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.715375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.715375 (E_RNA) where: Base-Base interactions energy: -1914.899 where: short stacking energy: -778.892 Base-Backbone interact. energy: 5.172 local terms energy: -780.987680 where: bonds (distance) C4'-P energy: -127.439 bonds (distance) P-C4' energy: -154.214 flat angles C4'-P-C4' energy: -158.065 flat angles P-C4'-P energy: -107.523 tors. eta vs tors. theta energy: -233.746 Dist. restrs. and SS energy: 0.000 (S_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: 499 Temperature: 1.000000 Total energy: -2573.888075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.888075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.888075 (E_RNA) where: Base-Base interactions energy: -1838.737 where: short stacking energy: -734.044 Base-Backbone interact. energy: -1.987 local terms energy: -733.164075 where: bonds (distance) C4'-P energy: -110.013 bonds (distance) P-C4' energy: -139.226 flat angles C4'-P-C4' energy: -152.260 flat angles P-C4'-P energy: -113.087 tors. eta vs tors. theta energy: -218.577 Dist. restrs. and SS energy: 0.000 (S_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: 499 Temperature: 1.050000 Total energy: -2580.763124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.763124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.763124 (E_RNA) where: Base-Base interactions energy: -1836.566 where: short stacking energy: -725.883 Base-Backbone interact. energy: -0.485 local terms energy: -743.712896 where: bonds (distance) C4'-P energy: -112.715 bonds (distance) P-C4' energy: -143.623 flat angles C4'-P-C4' energy: -152.731 flat angles P-C4'-P energy: -112.303 tors. eta vs tors. theta energy: -222.341 Dist. restrs. and SS energy: 0.000 (S_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: 499 Temperature: 1.100000 Total energy: -2509.953349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.953349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.953349 (E_RNA) where: Base-Base interactions energy: -1778.042 where: short stacking energy: -706.419 Base-Backbone interact. energy: -1.897 local terms energy: -730.014272 where: bonds (distance) C4'-P energy: -102.037 bonds (distance) P-C4' energy: -151.259 flat angles C4'-P-C4' energy: -157.354 flat angles P-C4'-P energy: -107.271 tors. eta vs tors. theta energy: -212.093 Dist. restrs. and SS energy: 0.000 (S_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: 499 Temperature: 1.150000 Total energy: -2404.741145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.741145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.741145 (E_RNA) where: Base-Base interactions energy: -1697.228 where: short stacking energy: -700.780 Base-Backbone interact. energy: 0.486 local terms energy: -707.999904 where: bonds (distance) C4'-P energy: -115.576 bonds (distance) P-C4' energy: -134.880 flat angles C4'-P-C4' energy: -148.030 flat angles P-C4'-P energy: -109.746 tors. eta vs tors. theta energy: -199.768 Dist. restrs. and SS energy: 0.000 (S_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: 499 Temperature: 1.200000 Total energy: -2400.584033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.584033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.584033 (E_RNA) where: Base-Base interactions energy: -1693.659 where: short stacking energy: -692.517 Base-Backbone interact. energy: -2.046 local terms energy: -704.879054 where: bonds (distance) C4'-P energy: -102.138 bonds (distance) P-C4' energy: -130.552 flat angles C4'-P-C4' energy: -149.263 flat angles P-C4'-P energy: -107.485 tors. eta vs tors. theta energy: -215.440 Dist. restrs. and SS energy: 0.000 (S_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: 499 Temperature: 1.250000 Total energy: -2266.505926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.505926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.505926 (E_RNA) where: Base-Base interactions energy: -1571.058 where: short stacking energy: -663.938 Base-Backbone interact. energy: -0.850 local terms energy: -694.597774 where: bonds (distance) C4'-P energy: -109.225 bonds (distance) P-C4' energy: -143.294 flat angles C4'-P-C4' energy: -153.440 flat angles P-C4'-P energy: -93.095 tors. eta vs tors. theta energy: -195.543 Dist. restrs. and SS energy: 0.000 (S_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: 499 Temperature: 1.300000 Total energy: -2060.741290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.741290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.741290 (E_RNA) where: Base-Base interactions energy: -1434.027 where: short stacking energy: -584.655 Base-Backbone interact. energy: 2.961 local terms energy: -629.675445 where: bonds (distance) C4'-P energy: -106.930 bonds (distance) P-C4' energy: -121.044 flat angles C4'-P-C4' energy: -147.500 flat angles P-C4'-P energy: -91.521 tors. eta vs tors. theta energy: -162.680 Dist. restrs. and SS energy: 0.000 (S_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: 499 Temperature: 1.350000 Total energy: -2142.462780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.462780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.462780 (E_RNA) where: Base-Base interactions energy: -1487.311 where: short stacking energy: -604.190 Base-Backbone interact. energy: -2.129 local terms energy: -653.023137 where: bonds (distance) C4'-P energy: -109.258 bonds (distance) P-C4' energy: -132.356 flat angles C4'-P-C4' energy: -145.243 flat angles P-C4'-P energy: -86.447 tors. eta vs tors. theta energy: -179.719 Dist. restrs. and SS energy: 0.000 (S_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: 500 Temperature: 0.900000 Total energy: -2711.636916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.636916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.636916 (E_RNA) where: Base-Base interactions energy: -1935.148 where: short stacking energy: -762.517 Base-Backbone interact. energy: -3.994 local terms energy: -772.495147 where: bonds (distance) C4'-P energy: -119.148 bonds (distance) P-C4' energy: -152.796 flat angles C4'-P-C4' energy: -163.081 flat angles P-C4'-P energy: -112.153 tors. eta vs tors. theta energy: -225.317 Dist. restrs. and SS energy: 0.000 (S_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: 500 Temperature: 0.950000 Total energy: -2681.632513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.632513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.632513 (E_RNA) where: Base-Base interactions energy: -1908.545 where: short stacking energy: -764.500 Base-Backbone interact. energy: -3.278 local terms energy: -769.809030 where: bonds (distance) C4'-P energy: -116.706 bonds (distance) P-C4' energy: -146.064 flat angles C4'-P-C4' energy: -163.300 flat angles P-C4'-P energy: -114.068 tors. eta vs tors. theta energy: -229.671 Dist. restrs. and SS energy: 0.000 (S_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: 500 Temperature: 1.000000 Total energy: -2623.022916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.022916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.022916 (E_RNA) where: Base-Base interactions energy: -1855.474 where: short stacking energy: -758.374 Base-Backbone interact. energy: -1.885 local terms energy: -765.663737 where: bonds (distance) C4'-P energy: -118.977 bonds (distance) P-C4' energy: -161.105 flat angles C4'-P-C4' energy: -162.709 flat angles P-C4'-P energy: -103.791 tors. eta vs tors. theta energy: -219.081 Dist. restrs. and SS energy: 0.000 (S_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: 500 Temperature: 1.050000 Total energy: -2539.797297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.797297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.797297 (E_RNA) where: Base-Base interactions energy: -1795.485 where: short stacking energy: -724.048 Base-Backbone interact. energy: -1.628 local terms energy: -742.684629 where: bonds (distance) C4'-P energy: -112.216 bonds (distance) P-C4' energy: -151.503 flat angles C4'-P-C4' energy: -156.228 flat angles P-C4'-P energy: -105.876 tors. eta vs tors. theta energy: -216.862 Dist. restrs. and SS energy: 0.000 (S_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: 500 Temperature: 1.100000 Total energy: -2436.056869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.056869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.056869 (E_RNA) where: Base-Base interactions energy: -1714.262 where: short stacking energy: -695.178 Base-Backbone interact. energy: -1.255 local terms energy: -720.539345 where: bonds (distance) C4'-P energy: -112.746 bonds (distance) P-C4' energy: -144.448 flat angles C4'-P-C4' energy: -156.509 flat angles P-C4'-P energy: -108.011 tors. eta vs tors. theta energy: -198.826 Dist. restrs. and SS energy: 0.000 (S_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: 500 Temperature: 1.150000 Total energy: -2445.005235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.005235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.005235 (E_RNA) where: Base-Base interactions energy: -1737.094 where: short stacking energy: -709.212 Base-Backbone interact. energy: -0.047 local terms energy: -707.864914 where: bonds (distance) C4'-P energy: -100.209 bonds (distance) P-C4' energy: -153.287 flat angles C4'-P-C4' energy: -153.795 flat angles P-C4'-P energy: -94.371 tors. eta vs tors. theta energy: -206.203 Dist. restrs. and SS energy: 0.000 (S_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: 500 Temperature: 1.200000 Total energy: -2409.409075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.409075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.409075 (E_RNA) where: Base-Base interactions energy: -1691.897 where: short stacking energy: -685.830 Base-Backbone interact. energy: -2.116 local terms energy: -715.395741 where: bonds (distance) C4'-P energy: -112.628 bonds (distance) P-C4' energy: -134.875 flat angles C4'-P-C4' energy: -159.175 flat angles P-C4'-P energy: -99.310 tors. eta vs tors. theta energy: -209.407 Dist. restrs. and SS energy: 0.000 (S_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: 500 Temperature: 1.250000 Total energy: -2305.637532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.637532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.637532 (E_RNA) where: Base-Base interactions energy: -1618.876 where: short stacking energy: -658.908 Base-Backbone interact. energy: -0.615 local terms energy: -686.146661 where: bonds (distance) C4'-P energy: -105.819 bonds (distance) P-C4' energy: -146.567 flat angles C4'-P-C4' energy: -145.887 flat angles P-C4'-P energy: -91.539 tors. eta vs tors. theta energy: -196.335 Dist. restrs. and SS energy: 0.000 (S_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: 500 Temperature: 1.300000 Total energy: -2194.756601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.756601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.756601 (E_RNA) where: Base-Base interactions energy: -1551.270 where: short stacking energy: -635.078 Base-Backbone interact. energy: -1.423 local terms energy: -642.062887 where: bonds (distance) C4'-P energy: -83.135 bonds (distance) P-C4' energy: -146.856 flat angles C4'-P-C4' energy: -137.579 flat angles P-C4'-P energy: -84.967 tors. eta vs tors. theta energy: -189.526 Dist. restrs. and SS energy: 0.000 (S_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: 500 Temperature: 1.350000 Total energy: -2042.358106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.358106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.358106 (E_RNA) where: Base-Base interactions energy: -1412.679 where: short stacking energy: -585.554 Base-Backbone interact. energy: -2.715 local terms energy: -626.964601 where: bonds (distance) C4'-P energy: -107.350 bonds (distance) P-C4' energy: -129.280 flat angles C4'-P-C4' energy: -140.115 flat angles P-C4'-P energy: -82.690 tors. eta vs tors. theta energy: -167.529 Dist. restrs. and SS energy: 0.000 (S_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: 501 Temperature: 0.900000 Total energy: -2731.395589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.395589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.395589 (E_RNA) where: Base-Base interactions energy: -1967.414 where: short stacking energy: -772.601 Base-Backbone interact. energy: -0.264 local terms energy: -763.717717 where: bonds (distance) C4'-P energy: -128.151 bonds (distance) P-C4' energy: -144.641 flat angles C4'-P-C4' energy: -154.038 flat angles P-C4'-P energy: -114.968 tors. eta vs tors. theta energy: -221.921 Dist. restrs. and SS energy: 0.000 (S_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: 501 Temperature: 0.950000 Total energy: -2677.963586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.963586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.963586 (E_RNA) where: Base-Base interactions energy: -1903.697 where: short stacking energy: -761.194 Base-Backbone interact. energy: -5.311 local terms energy: -768.954866 where: bonds (distance) C4'-P energy: -127.595 bonds (distance) P-C4' energy: -146.408 flat angles C4'-P-C4' energy: -161.203 flat angles P-C4'-P energy: -106.486 tors. eta vs tors. theta energy: -227.263 Dist. restrs. and SS energy: 0.000 (S_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: 501 Temperature: 1.000000 Total energy: -2609.574543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.574543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.574543 (E_RNA) where: Base-Base interactions energy: -1852.693 where: short stacking energy: -750.386 Base-Backbone interact. energy: -2.471 local terms energy: -754.410850 where: bonds (distance) C4'-P energy: -116.976 bonds (distance) P-C4' energy: -147.344 flat angles C4'-P-C4' energy: -164.319 flat angles P-C4'-P energy: -101.860 tors. eta vs tors. theta energy: -223.911 Dist. restrs. and SS energy: 0.000 (S_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: 501 Temperature: 1.050000 Total energy: -2484.003144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.003144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.003144 (E_RNA) where: Base-Base interactions energy: -1736.995 where: short stacking energy: -715.952 Base-Backbone interact. energy: -2.770 local terms energy: -744.237807 where: bonds (distance) C4'-P energy: -123.274 bonds (distance) P-C4' energy: -150.789 flat angles C4'-P-C4' energy: -149.095 flat angles P-C4'-P energy: -106.013 tors. eta vs tors. theta energy: -215.067 Dist. restrs. and SS energy: 0.000 (S_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: 501 Temperature: 1.100000 Total energy: -2499.397442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.397442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.397442 (E_RNA) where: Base-Base interactions energy: -1767.370 where: short stacking energy: -705.200 Base-Backbone interact. energy: -1.901 local terms energy: -730.126738 where: bonds (distance) C4'-P energy: -114.327 bonds (distance) P-C4' energy: -143.162 flat angles C4'-P-C4' energy: -156.733 flat angles P-C4'-P energy: -98.050 tors. eta vs tors. theta energy: -217.854 Dist. restrs. and SS energy: 0.000 (S_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: 501 Temperature: 1.150000 Total energy: -2468.057850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.057850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.057850 (E_RNA) where: Base-Base interactions energy: -1747.115 where: short stacking energy: -703.482 Base-Backbone interact. energy: -2.010 local terms energy: -718.932482 where: bonds (distance) C4'-P energy: -112.653 bonds (distance) P-C4' energy: -139.435 flat angles C4'-P-C4' energy: -149.121 flat angles P-C4'-P energy: -104.578 tors. eta vs tors. theta energy: -213.145 Dist. restrs. and SS energy: 0.000 (S_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: 501 Temperature: 1.200000 Total energy: -2406.251217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.251217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.251217 (E_RNA) where: Base-Base interactions energy: -1711.975 where: short stacking energy: -683.416 Base-Backbone interact. energy: -1.746 local terms energy: -692.529804 where: bonds (distance) C4'-P energy: -110.196 bonds (distance) P-C4' energy: -132.937 flat angles C4'-P-C4' energy: -156.232 flat angles P-C4'-P energy: -96.731 tors. eta vs tors. theta energy: -196.433 Dist. restrs. and SS energy: 0.000 (S_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: 501 Temperature: 1.250000 Total energy: -2267.605820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.605820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.605820 (E_RNA) where: Base-Base interactions energy: -1603.186 where: short stacking energy: -650.797 Base-Backbone interact. energy: -2.332 local terms energy: -662.087761 where: bonds (distance) C4'-P energy: -107.167 bonds (distance) P-C4' energy: -144.466 flat angles C4'-P-C4' energy: -140.739 flat angles P-C4'-P energy: -88.546 tors. eta vs tors. theta energy: -181.170 Dist. restrs. and SS energy: 0.000 (S_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: 501 Temperature: 1.300000 Total energy: -2179.526423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.526423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.526423 (E_RNA) where: Base-Base interactions energy: -1522.033 where: short stacking energy: -616.945 Base-Backbone interact. energy: -1.351 local terms energy: -656.142880 where: bonds (distance) C4'-P energy: -101.313 bonds (distance) P-C4' energy: -140.742 flat angles C4'-P-C4' energy: -145.391 flat angles P-C4'-P energy: -94.016 tors. eta vs tors. theta energy: -174.681 Dist. restrs. and SS energy: 0.000 (S_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: 501 Temperature: 1.350000 Total energy: -2074.053747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.053747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.053747 (E_RNA) where: Base-Base interactions energy: -1441.810 where: short stacking energy: -593.130 Base-Backbone interact. energy: -0.476 local terms energy: -631.767807 where: bonds (distance) C4'-P energy: -110.242 bonds (distance) P-C4' energy: -134.542 flat angles C4'-P-C4' energy: -131.776 flat angles P-C4'-P energy: -86.356 tors. eta vs tors. theta energy: -168.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) replica 7 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 46895479 moves confirmed later: 48823201 all moves confirmed: 95718680 percent of confirmed moves: 11.964835 current total energy: -2686.841644 recalc. total energy: -2686.841644 replica 5 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 46943797 moves confirmed later: 48838126 all moves confirmed: 95781923 percent of confirmed moves: 11.972740 current total energy: -2584.620391 recalc. total energy: -2584.620391 replica 1 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 47185523 moves confirmed later: 49075992 all moves confirmed: 96261515 percent of confirmed moves: 12.032689 current total energy: -2546.142984 recalc. total energy: -2546.142984 replica 8 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 64247226 moves confirmed later: 71672026 all moves confirmed: 135919252 percent of confirmed moves: 16.989907 current total energy: -2443.797499 recalc. total energy: -2443.797499 replica 10 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 55072057 moves confirmed later: 59238826 all moves confirmed: 114310883 percent of confirmed moves: 14.288860 current total energy: -2409.750774 recalc. total energy: -2409.750774 replica 4 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 56188346 moves confirmed later: 60845641 all moves confirmed: 117033987 percent of confirmed moves: 14.629248 current total energy: -2319.695534 recalc. total energy: -2319.695534 replica 2 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 54983186 moves confirmed later: 59293895 all moves confirmed: 114277081 percent of confirmed moves: 14.284635 current total energy: -2316.272905 recalc. total energy: -2316.272905 replica 6 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 75855774 moves confirmed later: 86723747 all moves confirmed: 162579521 percent of confirmed moves: 20.322440 current total energy: -2094.350718 recalc. total energy: -2094.350718 replica 9 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 92925625 moves confirmed later: 109013357 all moves confirmed: 201938982 percent of confirmed moves: 25.242373 current total energy: -2040.428165 recalc. total energy: -2040.428165 replica 3 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 65580125 moves confirmed later: 73195106 all moves confirmed: 138775231 percent of confirmed moves: 17.346904 current total energy: -1941.562070 recalc. total energy: -1941.562070 out arg RESULTS//1/seq3_new_new-70b13a85_01 Time of doing 8000000 iterations: 25286.820 seconds