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/hovlinc_002-41d373b6/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 168 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 168 nucleotides atom position constraints swiched ON bacause base: U, 40 is fixed, fixing also its C4' atom bacause base: G, 41 is fixed, fixing also its C4' atom bacause base: A, 42 is fixed, fixing also its C4' atom bacause base: G, 43 is fixed, fixing also its C4' atom bacause base: C, 44 is fixed, fixing also its C4' atom bacause base: C, 45 is fixed, fixing also its C4' atom bacause base: A, 46 is fixed, fixing also its C4' atom bacause base: C, 47 is fixed, fixing also its C4' atom bacause base: A, 48 is fixed, fixing also its C4' atom bacause base: U, 49 is fixed, fixing also its C4' atom bacause base: A, 50 is fixed, fixing also its C4' atom bacause base: C, 51 is fixed, fixing also its C4' atom bacause base: C, 52 is fixed, fixing also its C4' atom bacause base: U, 53 is fixed, fixing also its C4' atom bacause base: A, 54 is fixed, fixing also its C4' atom bacause base: C, 55 is fixed, fixing also its C4' atom bacause base: C, 56 is fixed, fixing also its C4' atom bacause base: C, 57 is fixed, fixing also its C4' atom bacause base: A, 58 is fixed, fixing also its C4' atom bacause base: A, 59 is fixed, fixing also its C4' atom bacause base: G, 60 is fixed, fixing also its C4' atom bacause base: G, 61 is fixed, fixing also its C4' atom bacause base: U, 62 is fixed, fixing also its C4' atom bacause base: G, 63 is fixed, fixing also its C4' atom bacause base: A, 64 is fixed, fixing also its C4' atom bacause base: A, 65 is fixed, fixing also its C4' atom bacause base: A, 66 is fixed, fixing also its C4' atom bacause base: G, 67 is fixed, fixing also its C4' atom bacause base: C, 68 is fixed, fixing also its C4' atom bacause base: U, 69 is fixed, fixing also its C4' atom bacause base: C, 70 is fixed, fixing also its C4' atom bacause base: C, 71 is fixed, fixing also its C4' atom bacause base: U, 72 is fixed, fixing also its C4' atom bacause base: U, 73 is fixed, fixing also its C4' atom bacause base: C, 74 is fixed, fixing also its C4' atom bacause base: U, 75 is fixed, fixing also its C4' atom bacause base: C, 76 is fixed, fixing also its C4' atom bacause base: U, 77 is fixed, fixing also its C4' atom bacause base: C, 78 is fixed, fixing also its C4' atom bacause base: G, 79 is fixed, fixing also its C4' atom bacause base: C, 80 is fixed, fixing also its C4' atom bacause base: A, 81 is fixed, fixing also its C4' atom bacause base: A, 82 is fixed, fixing also its C4' atom bacause base: U, 83 is fixed, fixing also its C4' atom bacause base: G, 84 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: 845 n_atoms_counter: 845 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 168.000000 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/hovlinc_002-41d373b6/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 168 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 168 nucleotides atom position constraints swiched ON bacause base: U, 40 is fixed, fixing also its C4' atom bacause base: G, 41 is fixed, fixing also its C4' atom bacause base: A, 42 is fixed, fixing also its C4' atom bacause base: G, 43 is fixed, fixing also its C4' atom bacause base: C, 44 is fixed, fixing also its C4' atom bacause base: C, 45 is fixed, fixing also its C4' atom bacause base: A, 46 is fixed, fixing also its C4' atom bacause base: C, 47 is fixed, fixing also its C4' atom bacause base: A, 48 is fixed, fixing also its C4' atom bacause base: U, 49 is fixed, fixing also its C4' atom bacause base: A, 50 is fixed, fixing also its C4' atom bacause base: C, 51 is fixed, fixing also its C4' atom bacause base: C, 52 is fixed, fixing also its C4' atom bacause base: U, 53 is fixed, fixing also its C4' atom bacause base: A, 54 is fixed, fixing also its C4' atom bacause base: C, 55 is fixed, fixing also its C4' atom bacause base: C, 56 is fixed, fixing also its C4' atom bacause base: C, 57 is fixed, fixing also its C4' atom bacause base: A, 58 is fixed, fixing also its C4' atom bacause base: A, 59 is fixed, fixing also its C4' atom bacause base: G, 60 is fixed, fixing also its C4' atom bacause base: G, 61 is fixed, fixing also its C4' atom bacause base: U, 62 is fixed, fixing also its C4' atom bacause base: G, 63 is fixed, fixing also its C4' atom bacause base: A, 64 is fixed, fixing also its C4' atom bacause base: A, 65 is fixed, fixing also its C4' atom bacause base: A, 66 is fixed, fixing also its C4' atom bacause base: G, 67 is fixed, fixing also its C4' atom bacause base: C, 68 is fixed, fixing also its C4' atom bacause base: U, 69 is fixed, fixing also its C4' atom bacause base: C, 70 is fixed, fixing also its C4' atom bacause base: C, 71 is fixed, fixing also its C4' atom bacause base: U, 72 is fixed, fixing also its C4' atom bacause base: U, 73 is fixed, fixing also its C4' atom bacause base: C, 74 is fixed, fixing also its C4' atom bacause base: U, 75 is fixed, fixing also its C4' atom bacause base: C, 76 is fixed, fixing also its C4' atom bacause base: U, 77 is fixed, fixing also its C4' atom bacause base: C, 78 is fixed, fixing also its C4' atom bacause base: G, 79 is fixed, fixing also its C4' atom bacause base: C, 80 is fixed, fixing also its C4' atom bacause base: A, 81 is fixed, fixing also its C4' atom bacause base: A, 82 is fixed, fixing also its C4' atom bacause base: U, 83 is fixed, fixing also its C4' atom bacause base: G, 84 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: 845 n_atoms_counter: 845 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 168.000000 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/hovlinc_002-41d373b6/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 168 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 168 nucleotides atom position constraints swiched ON bacause base: U, 40 is fixed, fixing also its C4' atom bacause base: G, 41 is fixed, fixing also its C4' atom bacause base: A, 42 is fixed, fixing also its C4' atom bacause base: G, 43 is fixed, fixing also its C4' atom bacause base: C, 44 is fixed, fixing also its C4' atom bacause base: C, 45 is fixed, fixing also its C4' atom bacause base: A, 46 is fixed, fixing also its C4' atom bacause base: C, 47 is fixed, fixing also its C4' atom bacause base: A, 48 is fixed, fixing also its C4' atom bacause base: U, 49 is fixed, fixing also its C4' atom bacause base: A, 50 is fixed, fixing also its C4' atom bacause base: C, 51 is fixed, fixing also its C4' atom bacause base: C, 52 is fixed, fixing also its C4' atom bacause base: U, 53 is fixed, fixing also its C4' atom bacause base: A, 54 is fixed, fixing also its C4' atom bacause base: C, 55 is fixed, fixing also its C4' atom bacause base: C, 56 is fixed, fixing also its C4' atom bacause base: C, 57 is fixed, fixing also its C4' atom bacause base: A, 58 is fixed, fixing also its C4' atom bacause base: A, 59 is fixed, fixing also its C4' atom bacause base: G, 60 is fixed, fixing also its C4' atom bacause base: G, 61 is fixed, fixing also its C4' atom bacause base: U, 62 is fixed, fixing also its C4' atom bacause base: G, 63 is fixed, fixing also its C4' atom bacause base: A, 64 is fixed, fixing also its C4' atom bacause base: A, 65 is fixed, fixing also its C4' atom bacause base: A, 66 is fixed, fixing also its C4' atom bacause base: G, 67 is fixed, fixing also its C4' atom bacause base: C, 68 is fixed, fixing also its C4' atom bacause base: U, 69 is fixed, fixing also its C4' atom bacause base: C, 70 is fixed, fixing also its C4' atom bacause base: C, 71 is fixed, fixing also its C4' atom bacause base: U, 72 is fixed, fixing also its C4' atom bacause base: U, 73 is fixed, fixing also its C4' atom bacause base: C, 74 is fixed, fixing also its C4' atom bacause base: U, 75 is fixed, fixing also its C4' atom bacause base: C, 76 is fixed, fixing also its C4' atom bacause base: U, 77 is fixed, fixing also its C4' atom bacause base: C, 78 is fixed, fixing also its C4' atom bacause base: G, 79 is fixed, fixing also its C4' atom bacause base: C, 80 is fixed, fixing also its C4' atom bacause base: A, 81 is fixed, fixing also its C4' atom bacause base: A, 82 is fixed, fixing also its C4' atom bacause base: U, 83 is fixed, fixing also its C4' atom bacause base: G, 84 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: 845 n_atoms_counter: 845 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 168.000000 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/hovlinc_002-41d373b6/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 168 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 168 nucleotides atom position constraints swiched ON bacause base: U, 40 is fixed, fixing also its C4' atom bacause base: G, 41 is fixed, fixing also its C4' atom bacause base: A, 42 is fixed, fixing also its C4' atom bacause base: G, 43 is fixed, fixing also its C4' atom bacause base: C, 44 is fixed, fixing also its C4' atom bacause base: C, 45 is fixed, fixing also its C4' atom bacause base: A, 46 is fixed, fixing also its C4' atom bacause base: C, 47 is fixed, fixing also its C4' atom bacause base: A, 48 is fixed, fixing also its C4' atom bacause base: U, 49 is fixed, fixing also its C4' atom bacause base: A, 50 is fixed, fixing also its C4' atom bacause base: C, 51 is fixed, fixing also its C4' atom bacause base: C, 52 is fixed, fixing also its C4' atom bacause base: U, 53 is fixed, fixing also its C4' atom bacause base: A, 54 is fixed, fixing also its C4' atom bacause base: C, 55 is fixed, fixing also its C4' atom bacause base: C, 56 is fixed, fixing also its C4' atom bacause base: C, 57 is fixed, fixing also its C4' atom bacause base: A, 58 is fixed, fixing also its C4' atom bacause base: A, 59 is fixed, fixing also its C4' atom bacause base: G, 60 is fixed, fixing also its C4' atom bacause base: G, 61 is fixed, fixing also its C4' atom bacause base: U, 62 is fixed, fixing also its C4' atom bacause base: G, 63 is fixed, fixing also its C4' atom bacause base: A, 64 is fixed, fixing also its C4' atom bacause base: A, 65 is fixed, fixing also its C4' atom bacause base: A, 66 is fixed, fixing also its C4' atom bacause base: G, 67 is fixed, fixing also its C4' atom bacause base: C, 68 is fixed, fixing also its C4' atom bacause base: U, 69 is fixed, fixing also its C4' atom bacause base: C, 70 is fixed, fixing also its C4' atom bacause base: C, 71 is fixed, fixing also its C4' atom bacause base: U, 72 is fixed, fixing also its C4' atom bacause base: U, 73 is fixed, fixing also its C4' atom bacause base: C, 74 is fixed, fixing also its C4' atom bacause base: U, 75 is fixed, fixing also its C4' atom bacause base: C, 76 is fixed, fixing also its C4' atom bacause base: U, 77 is fixed, fixing also its C4' atom bacause base: C, 78 is fixed, fixing also its C4' atom bacause base: G, 79 is fixed, fixing also its C4' atom bacause base: C, 80 is fixed, fixing also its C4' atom bacause base: A, 81 is fixed, fixing also its C4' atom bacause base: A, 82 is fixed, fixing also its C4' atom bacause base: U, 83 is fixed, fixing also its C4' atom bacause base: G, 84 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: 845 n_atoms_counter: 845 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 168.000000 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/hovlinc_002-41d373b6/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 168 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 168 nucleotides atom position constraints swiched ON bacause base: U, 40 is fixed, fixing also its C4' atom bacause base: G, 41 is fixed, fixing also its C4' atom bacause base: A, 42 is fixed, fixing also its C4' atom bacause base: G, 43 is fixed, fixing also its C4' atom bacause base: C, 44 is fixed, fixing also its C4' atom bacause base: C, 45 is fixed, fixing also its C4' atom bacause base: A, 46 is fixed, fixing also its C4' atom bacause base: C, 47 is fixed, fixing also its C4' atom bacause base: A, 48 is fixed, fixing also its C4' atom bacause base: U, 49 is fixed, fixing also its C4' atom bacause base: A, 50 is fixed, fixing also its C4' atom bacause base: C, 51 is fixed, fixing also its C4' atom bacause base: C, 52 is fixed, fixing also its C4' atom bacause base: U, 53 is fixed, fixing also its C4' atom bacause base: A, 54 is fixed, fixing also its C4' atom bacause base: C, 55 is fixed, fixing also its C4' atom bacause base: C, 56 is fixed, fixing also its C4' atom bacause base: C, 57 is fixed, fixing also its C4' atom bacause base: A, 58 is fixed, fixing also its C4' atom bacause base: A, 59 is fixed, fixing also its C4' atom bacause base: G, 60 is fixed, fixing also its C4' atom bacause base: G, 61 is fixed, fixing also its C4' atom bacause base: U, 62 is fixed, fixing also its C4' atom bacause base: G, 63 is fixed, fixing also its C4' atom bacause base: A, 64 is fixed, fixing also its C4' atom bacause base: A, 65 is fixed, fixing also its C4' atom bacause base: A, 66 is fixed, fixing also its C4' atom bacause base: G, 67 is fixed, fixing also its C4' atom bacause base: C, 68 is fixed, fixing also its C4' atom bacause base: U, 69 is fixed, fixing also its C4' atom bacause base: C, 70 is fixed, fixing also its C4' atom bacause base: C, 71 is fixed, fixing also its C4' atom bacause base: U, 72 is fixed, fixing also its C4' atom bacause base: U, 73 is fixed, fixing also its C4' atom bacause base: C, 74 is fixed, fixing also its C4' atom bacause base: U, 75 is fixed, fixing also its C4' atom bacause base: C, 76 is fixed, fixing also its C4' atom bacause base: U, 77 is fixed, fixing also its C4' atom bacause base: C, 78 is fixed, fixing also its C4' atom bacause base: G, 79 is fixed, fixing also its C4' atom bacause base: C, 80 is fixed, fixing also its C4' atom bacause base: A, 81 is fixed, fixing also its C4' atom bacause base: A, 82 is fixed, fixing also its C4' atom bacause base: U, 83 is fixed, fixing also its C4' atom bacause base: G, 84 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: 845 n_atoms_counter: 845 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 168.000000 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/hovlinc_002-41d373b6/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 168 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 168 nucleotides atom position constraints swiched ON bacause base: U, 40 is fixed, fixing also its C4' atom bacause base: G, 41 is fixed, fixing also its C4' atom bacause base: A, 42 is fixed, fixing also its C4' atom bacause base: G, 43 is fixed, fixing also its C4' atom bacause base: C, 44 is fixed, fixing also its C4' atom bacause base: C, 45 is fixed, fixing also its C4' atom bacause base: A, 46 is fixed, fixing also its C4' atom bacause base: C, 47 is fixed, fixing also its C4' atom bacause base: A, 48 is fixed, fixing also its C4' atom bacause base: U, 49 is fixed, fixing also its C4' atom bacause base: A, 50 is fixed, fixing also its C4' atom bacause base: C, 51 is fixed, fixing also its C4' atom bacause base: C, 52 is fixed, fixing also its C4' atom bacause base: U, 53 is fixed, fixing also its C4' atom bacause base: A, 54 is fixed, fixing also its C4' atom bacause base: C, 55 is fixed, fixing also its C4' atom bacause base: C, 56 is fixed, fixing also its C4' atom bacause base: C, 57 is fixed, fixing also its C4' atom bacause base: A, 58 is fixed, fixing also its C4' atom bacause base: A, 59 is fixed, fixing also its C4' atom bacause base: G, 60 is fixed, fixing also its C4' atom bacause base: G, 61 is fixed, fixing also its C4' atom bacause base: U, 62 is fixed, fixing also its C4' atom bacause base: G, 63 is fixed, fixing also its C4' atom bacause base: A, 64 is fixed, fixing also its C4' atom bacause base: A, 65 is fixed, fixing also its C4' atom bacause base: A, 66 is fixed, fixing also its C4' atom bacause base: G, 67 is fixed, fixing also its C4' atom bacause base: C, 68 is fixed, fixing also its C4' atom bacause base: U, 69 is fixed, fixing also its C4' atom bacause base: C, 70 is fixed, fixing also its C4' atom bacause base: C, 71 is fixed, fixing also its C4' atom bacause base: U, 72 is fixed, fixing also its C4' atom bacause base: U, 73 is fixed, fixing also its C4' atom bacause base: C, 74 is fixed, fixing also its C4' atom bacause base: U, 75 is fixed, fixing also its C4' atom bacause base: C, 76 is fixed, fixing also its C4' atom bacause base: U, 77 is fixed, fixing also its C4' atom bacause base: C, 78 is fixed, fixing also its C4' atom bacause base: G, 79 is fixed, fixing also its C4' atom bacause base: C, 80 is fixed, fixing also its C4' atom bacause base: A, 81 is fixed, fixing also its C4' atom bacause base: A, 82 is fixed, fixing also its C4' atom bacause base: U, 83 is fixed, fixing also its C4' atom bacause base: G, 84 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: 845 n_atoms_counter: 845 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 168.000000 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/hovlinc_002-41d373b6/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 168 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 168 nucleotides atom position constraints swiched ON bacause base: U, 40 is fixed, fixing also its C4' atom bacause base: G, 41 is fixed, fixing also its C4' atom bacause base: A, 42 is fixed, fixing also its C4' atom bacause base: G, 43 is fixed, fixing also its C4' atom bacause base: C, 44 is fixed, fixing also its C4' atom bacause base: C, 45 is fixed, fixing also its C4' atom bacause base: A, 46 is fixed, fixing also its C4' atom bacause base: C, 47 is fixed, fixing also its C4' atom bacause base: A, 48 is fixed, fixing also its C4' atom bacause base: U, 49 is fixed, fixing also its C4' atom bacause base: A, 50 is fixed, fixing also its C4' atom bacause base: C, 51 is fixed, fixing also its C4' atom bacause base: C, 52 is fixed, fixing also its C4' atom bacause base: U, 53 is fixed, fixing also its C4' atom bacause base: A, 54 is fixed, fixing also its C4' atom bacause base: C, 55 is fixed, fixing also its C4' atom bacause base: C, 56 is fixed, fixing also its C4' atom bacause base: C, 57 is fixed, fixing also its C4' atom bacause base: A, 58 is fixed, fixing also its C4' atom bacause base: A, 59 is fixed, fixing also its C4' atom bacause base: G, 60 is fixed, fixing also its C4' atom bacause base: G, 61 is fixed, fixing also its C4' atom bacause base: U, 62 is fixed, fixing also its C4' atom bacause base: G, 63 is fixed, fixing also its C4' atom bacause base: A, 64 is fixed, fixing also its C4' atom bacause base: A, 65 is fixed, fixing also its C4' atom bacause base: A, 66 is fixed, fixing also its C4' atom bacause base: G, 67 is fixed, fixing also its C4' atom bacause base: C, 68 is fixed, fixing also its C4' atom bacause base: U, 69 is fixed, fixing also its C4' atom bacause base: C, 70 is fixed, fixing also its C4' atom bacause base: C, 71 is fixed, fixing also its C4' atom bacause base: U, 72 is fixed, fixing also its C4' atom bacause base: U, 73 is fixed, fixing also its C4' atom bacause base: C, 74 is fixed, fixing also its C4' atom bacause base: U, 75 is fixed, fixing also its C4' atom bacause base: C, 76 is fixed, fixing also its C4' atom bacause base: U, 77 is fixed, fixing also its C4' atom bacause base: C, 78 is fixed, fixing also its C4' atom bacause base: G, 79 is fixed, fixing also its C4' atom bacause base: C, 80 is fixed, fixing also its C4' atom bacause base: A, 81 is fixed, fixing also its C4' atom bacause base: A, 82 is fixed, fixing also its C4' atom bacause base: U, 83 is fixed, fixing also its C4' atom bacause base: G, 84 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: 845 n_atoms_counter: 845 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 168.000000 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/hovlinc_002-41d373b6/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 168 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 168 nucleotides atom position constraints swiched ON bacause base: U, 40 is fixed, fixing also its C4' atom bacause base: G, 41 is fixed, fixing also its C4' atom bacause base: A, 42 is fixed, fixing also its C4' atom bacause base: G, 43 is fixed, fixing also its C4' atom bacause base: C, 44 is fixed, fixing also its C4' atom bacause base: C, 45 is fixed, fixing also its C4' atom bacause base: A, 46 is fixed, fixing also its C4' atom bacause base: C, 47 is fixed, fixing also its C4' atom bacause base: A, 48 is fixed, fixing also its C4' atom bacause base: U, 49 is fixed, fixing also its C4' atom bacause base: A, 50 is fixed, fixing also its C4' atom bacause base: C, 51 is fixed, fixing also its C4' atom bacause base: C, 52 is fixed, fixing also its C4' atom bacause base: U, 53 is fixed, fixing also its C4' atom bacause base: A, 54 is fixed, fixing also its C4' atom bacause base: C, 55 is fixed, fixing also its C4' atom bacause base: C, 56 is fixed, fixing also its C4' atom bacause base: C, 57 is fixed, fixing also its C4' atom bacause base: A, 58 is fixed, fixing also its C4' atom bacause base: A, 59 is fixed, fixing also its C4' atom bacause base: G, 60 is fixed, fixing also its C4' atom bacause base: G, 61 is fixed, fixing also its C4' atom bacause base: U, 62 is fixed, fixing also its C4' atom bacause base: G, 63 is fixed, fixing also its C4' atom bacause base: A, 64 is fixed, fixing also its C4' atom bacause base: A, 65 is fixed, fixing also its C4' atom bacause base: A, 66 is fixed, fixing also its C4' atom bacause base: G, 67 is fixed, fixing also its C4' atom bacause base: C, 68 is fixed, fixing also its C4' atom bacause base: U, 69 is fixed, fixing also its C4' atom bacause base: C, 70 is fixed, fixing also its C4' atom bacause base: C, 71 is fixed, fixing also its C4' atom bacause base: U, 72 is fixed, fixing also its C4' atom bacause base: U, 73 is fixed, fixing also its C4' atom bacause base: C, 74 is fixed, fixing also its C4' atom bacause base: U, 75 is fixed, fixing also its C4' atom bacause base: C, 76 is fixed, fixing also its C4' atom bacause base: U, 77 is fixed, fixing also its C4' atom bacause base: C, 78 is fixed, fixing also its C4' atom bacause base: G, 79 is fixed, fixing also its C4' atom bacause base: C, 80 is fixed, fixing also its C4' atom bacause base: A, 81 is fixed, fixing also its C4' atom bacause base: A, 82 is fixed, fixing also its C4' atom bacause base: U, 83 is fixed, fixing also its C4' atom bacause base: G, 84 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: 845 n_atoms_counter: 845 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 168.000000 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/hovlinc_002-41d373b6/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 168 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 168 nucleotides atom position constraints swiched ON bacause base: U, 40 is fixed, fixing also its C4' atom bacause base: G, 41 is fixed, fixing also its C4' atom bacause base: A, 42 is fixed, fixing also its C4' atom bacause base: G, 43 is fixed, fixing also its C4' atom bacause base: C, 44 is fixed, fixing also its C4' atom bacause base: C, 45 is fixed, fixing also its C4' atom bacause base: A, 46 is fixed, fixing also its C4' atom bacause base: C, 47 is fixed, fixing also its C4' atom bacause base: A, 48 is fixed, fixing also its C4' atom bacause base: U, 49 is fixed, fixing also its C4' atom bacause base: A, 50 is fixed, fixing also its C4' atom bacause base: C, 51 is fixed, fixing also its C4' atom bacause base: C, 52 is fixed, fixing also its C4' atom bacause base: U, 53 is fixed, fixing also its C4' atom bacause base: A, 54 is fixed, fixing also its C4' atom bacause base: C, 55 is fixed, fixing also its C4' atom bacause base: C, 56 is fixed, fixing also its C4' atom bacause base: C, 57 is fixed, fixing also its C4' atom bacause base: A, 58 is fixed, fixing also its C4' atom bacause base: A, 59 is fixed, fixing also its C4' atom bacause base: G, 60 is fixed, fixing also its C4' atom bacause base: G, 61 is fixed, fixing also its C4' atom bacause base: U, 62 is fixed, fixing also its C4' atom bacause base: G, 63 is fixed, fixing also its C4' atom bacause base: A, 64 is fixed, fixing also its C4' atom bacause base: A, 65 is fixed, fixing also its C4' atom bacause base: A, 66 is fixed, fixing also its C4' atom bacause base: G, 67 is fixed, fixing also its C4' atom bacause base: C, 68 is fixed, fixing also its C4' atom bacause base: U, 69 is fixed, fixing also its C4' atom bacause base: C, 70 is fixed, fixing also its C4' atom bacause base: C, 71 is fixed, fixing also its C4' atom bacause base: U, 72 is fixed, fixing also its C4' atom bacause base: U, 73 is fixed, fixing also its C4' atom bacause base: C, 74 is fixed, fixing also its C4' atom bacause base: U, 75 is fixed, fixing also its C4' atom bacause base: C, 76 is fixed, fixing also its C4' atom bacause base: U, 77 is fixed, fixing also its C4' atom bacause base: C, 78 is fixed, fixing also its C4' atom bacause base: G, 79 is fixed, fixing also its C4' atom bacause base: C, 80 is fixed, fixing also its C4' atom bacause base: A, 81 is fixed, fixing also its C4' atom bacause base: A, 82 is fixed, fixing also its C4' atom bacause base: U, 83 is fixed, fixing also its C4' atom bacause base: G, 84 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: 845 n_atoms_counter: 845 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 168.000000 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/hovlinc_002-41d373b6/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 168 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 168 nucleotides atom position constraints swiched ON bacause base: U, 40 is fixed, fixing also its C4' atom bacause base: G, 41 is fixed, fixing also its C4' atom bacause base: A, 42 is fixed, fixing also its C4' atom bacause base: G, 43 is fixed, fixing also its C4' atom bacause base: C, 44 is fixed, fixing also its C4' atom bacause base: C, 45 is fixed, fixing also its C4' atom bacause base: A, 46 is fixed, fixing also its C4' atom bacause base: C, 47 is fixed, fixing also its C4' atom bacause base: A, 48 is fixed, fixing also its C4' atom bacause base: U, 49 is fixed, fixing also its C4' atom bacause base: A, 50 is fixed, fixing also its C4' atom bacause base: C, 51 is fixed, fixing also its C4' atom bacause base: C, 52 is fixed, fixing also its C4' atom bacause base: U, 53 is fixed, fixing also its C4' atom bacause base: A, 54 is fixed, fixing also its C4' atom bacause base: C, 55 is fixed, fixing also its C4' atom bacause base: C, 56 is fixed, fixing also its C4' atom bacause base: C, 57 is fixed, fixing also its C4' atom bacause base: A, 58 is fixed, fixing also its C4' atom bacause base: A, 59 is fixed, fixing also its C4' atom bacause base: G, 60 is fixed, fixing also its C4' atom bacause base: G, 61 is fixed, fixing also its C4' atom bacause base: U, 62 is fixed, fixing also its C4' atom bacause base: G, 63 is fixed, fixing also its C4' atom bacause base: A, 64 is fixed, fixing also its C4' atom bacause base: A, 65 is fixed, fixing also its C4' atom bacause base: A, 66 is fixed, fixing also its C4' atom bacause base: G, 67 is fixed, fixing also its C4' atom bacause base: C, 68 is fixed, fixing also its C4' atom bacause base: U, 69 is fixed, fixing also its C4' atom bacause base: C, 70 is fixed, fixing also its C4' atom bacause base: C, 71 is fixed, fixing also its C4' atom bacause base: U, 72 is fixed, fixing also its C4' atom bacause base: U, 73 is fixed, fixing also its C4' atom bacause base: C, 74 is fixed, fixing also its C4' atom bacause base: U, 75 is fixed, fixing also its C4' atom bacause base: C, 76 is fixed, fixing also its C4' atom bacause base: U, 77 is fixed, fixing also its C4' atom bacause base: C, 78 is fixed, fixing also its C4' atom bacause base: G, 79 is fixed, fixing also its C4' atom bacause base: C, 80 is fixed, fixing also its C4' atom bacause base: A, 81 is fixed, fixing also its C4' atom bacause base: A, 82 is fixed, fixing also its C4' atom bacause base: U, 83 is fixed, fixing also its C4' atom bacause base: G, 84 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: 845 n_atoms_counter: 845 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 168.000000 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: -1833.002007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.002007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.002007 (E_RNA) where: Base-Base interactions energy: -1280.564 where: short stacking energy: -520.179 Base-Backbone interact. energy: 7.599 local terms energy: -560.036653 where: bonds (distance) C4'-P energy: -84.668 bonds (distance) P-C4' energy: -135.639 flat angles C4'-P-C4' energy: -119.255 flat angles P-C4'-P energy: -76.859 tors. eta vs tors. theta energy: -143.615 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: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -1833.002007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.002007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.002007 (E_RNA) where: Base-Base interactions energy: -1280.564 where: short stacking energy: -520.179 Base-Backbone interact. energy: 7.599 local terms energy: -560.036653 where: bonds (distance) C4'-P energy: -84.668 bonds (distance) P-C4' energy: -135.639 flat angles C4'-P-C4' energy: -119.255 flat angles P-C4'-P energy: -76.859 tors. eta vs tors. theta energy: -143.615 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: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -1833.002007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.002007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.002007 (E_RNA) where: Base-Base interactions energy: -1280.564 where: short stacking energy: -520.179 Base-Backbone interact. energy: 7.599 local terms energy: -560.036653 where: bonds (distance) C4'-P energy: -84.668 bonds (distance) P-C4' energy: -135.639 flat angles C4'-P-C4' energy: -119.255 flat angles P-C4'-P energy: -76.859 tors. eta vs tors. theta energy: -143.615 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -1833.002007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.002007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.002007 (E_RNA) where: Base-Base interactions energy: -1280.564 where: short stacking energy: -520.179 Base-Backbone interact. energy: 7.599 local terms energy: -560.036653 where: bonds (distance) C4'-P energy: -84.668 bonds (distance) P-C4' energy: -135.639 flat angles C4'-P-C4' energy: -119.255 flat angles P-C4'-P energy: -76.859 tors. eta vs tors. theta energy: -143.615 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: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -1833.002007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.002007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.002007 (E_RNA) where: Base-Base interactions energy: -1280.564 where: short stacking energy: -520.179 Base-Backbone interact. energy: 7.599 local terms energy: -560.036653 where: bonds (distance) C4'-P energy: -84.668 bonds (distance) P-C4' energy: -135.639 flat angles C4'-P-C4' energy: -119.255 flat angles P-C4'-P energy: -76.859 tors. eta vs tors. theta energy: -143.615 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: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -1833.002007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.002007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.002007 (E_RNA) where: Base-Base interactions energy: -1280.564 where: short stacking energy: -520.179 Base-Backbone interact. energy: 7.599 local terms energy: -560.036653 where: bonds (distance) C4'-P energy: -84.668 bonds (distance) P-C4' energy: -135.639 flat angles C4'-P-C4' energy: -119.255 flat angles P-C4'-P energy: -76.859 tors. eta vs tors. theta energy: -143.615 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: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -1833.002007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.002007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.002007 (E_RNA) where: Base-Base interactions energy: -1280.564 where: short stacking energy: -520.179 Base-Backbone interact. energy: 7.599 local terms energy: -560.036653 where: bonds (distance) C4'-P energy: -84.668 bonds (distance) P-C4' energy: -135.639 flat angles C4'-P-C4' energy: -119.255 flat angles P-C4'-P energy: -76.859 tors. eta vs tors. theta energy: -143.615 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: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -1833.002007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.002007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.002007 (E_RNA) where: Base-Base interactions energy: -1280.564 where: short stacking energy: -520.179 Base-Backbone interact. energy: 7.599 local terms energy: -560.036653 where: bonds (distance) C4'-P energy: -84.668 bonds (distance) P-C4' energy: -135.639 flat angles C4'-P-C4' energy: -119.255 flat angles P-C4'-P energy: -76.859 tors. eta vs tors. theta energy: -143.615 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: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -1833.002007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.002007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.002007 (E_RNA) where: Base-Base interactions energy: -1280.564 where: short stacking energy: -520.179 Base-Backbone interact. energy: 7.599 local terms energy: -560.036653 where: bonds (distance) C4'-P energy: -84.668 bonds (distance) P-C4' energy: -135.639 flat angles C4'-P-C4' energy: -119.255 flat angles P-C4'-P energy: -76.859 tors. eta vs tors. theta energy: -143.615 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: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -1833.002007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.002007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.002007 (E_RNA) where: Base-Base interactions energy: -1280.564 where: short stacking energy: -520.179 Base-Backbone interact. energy: 7.599 local terms energy: -560.036653 where: bonds (distance) C4'-P energy: -84.668 bonds (distance) P-C4' energy: -135.639 flat angles C4'-P-C4' energy: -119.255 flat angles P-C4'-P energy: -76.859 tors. eta vs tors. theta energy: -143.615 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: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1851.462116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.462116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.462116 (E_RNA) where: Base-Base interactions energy: -1299.787 where: short stacking energy: -545.265 Base-Backbone interact. energy: 1.456 local terms energy: -553.131633 where: bonds (distance) C4'-P energy: -104.796 bonds (distance) P-C4' energy: -103.494 flat angles C4'-P-C4' energy: -119.493 flat angles P-C4'-P energy: -70.220 tors. eta vs tors. theta energy: -155.128 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1855.229699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.229699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.229699 (E_RNA) where: Base-Base interactions energy: -1305.918 where: short stacking energy: -532.614 Base-Backbone interact. energy: 1.951 local terms energy: -551.262340 where: bonds (distance) C4'-P energy: -94.429 bonds (distance) P-C4' energy: -113.766 flat angles C4'-P-C4' energy: -120.732 flat angles P-C4'-P energy: -73.562 tors. eta vs tors. theta energy: -148.773 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: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -1838.270852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.270852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.270852 (E_RNA) where: Base-Base interactions energy: -1283.436 where: short stacking energy: -518.182 Base-Backbone interact. energy: 4.562 local terms energy: -559.397525 where: bonds (distance) C4'-P energy: -89.984 bonds (distance) P-C4' energy: -131.994 flat angles C4'-P-C4' energy: -117.836 flat angles P-C4'-P energy: -76.137 tors. eta vs tors. theta energy: -143.446 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: -1838.661677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.661677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.661677 (E_RNA) where: Base-Base interactions energy: -1281.875 where: short stacking energy: -520.455 Base-Backbone interact. energy: 5.133 local terms energy: -561.919810 where: bonds (distance) C4'-P energy: -92.512 bonds (distance) P-C4' energy: -129.526 flat angles C4'-P-C4' energy: -118.451 flat angles P-C4'-P energy: -77.179 tors. eta vs tors. theta energy: -144.252 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: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -1839.616692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.616692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.616692 (E_RNA) where: Base-Base interactions energy: -1287.061 where: short stacking energy: -525.211 Base-Backbone interact. energy: 5.077 local terms energy: -557.632827 where: bonds (distance) C4'-P energy: -91.158 bonds (distance) P-C4' energy: -128.774 flat angles C4'-P-C4' energy: -117.911 flat angles P-C4'-P energy: -76.146 tors. eta vs tors. theta energy: -143.643 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: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -1838.170451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.170451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.170451 (E_RNA) where: Base-Base interactions energy: -1289.352 where: short stacking energy: -523.061 Base-Backbone interact. energy: 5.191 local terms energy: -554.009162 where: bonds (distance) C4'-P energy: -91.724 bonds (distance) P-C4' energy: -125.939 flat angles C4'-P-C4' energy: -116.911 flat angles P-C4'-P energy: -75.293 tors. eta vs tors. theta energy: -144.142 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -1835.030731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.030731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.030731 (E_RNA) where: Base-Base interactions energy: -1281.445 where: short stacking energy: -520.688 Base-Backbone interact. energy: 4.800 local terms energy: -558.385399 where: bonds (distance) C4'-P energy: -95.803 bonds (distance) P-C4' energy: -128.149 flat angles C4'-P-C4' energy: -115.441 flat angles P-C4'-P energy: -75.428 tors. eta vs tors. theta energy: -143.565 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: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -1831.153462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.153462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.153462 (E_RNA) where: Base-Base interactions energy: -1283.372 where: short stacking energy: -522.123 Base-Backbone interact. energy: 7.600 local terms energy: -555.380896 where: bonds (distance) C4'-P energy: -84.580 bonds (distance) P-C4' energy: -132.303 flat angles C4'-P-C4' energy: -118.916 flat angles P-C4'-P energy: -75.574 tors. eta vs tors. theta energy: -144.007 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: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -1829.759545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.759545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.759545 (E_RNA) where: Base-Base interactions energy: -1283.104 where: short stacking energy: -522.127 Base-Backbone interact. energy: 7.600 local terms energy: -554.254627 where: bonds (distance) C4'-P energy: -84.580 bonds (distance) P-C4' energy: -131.374 flat angles C4'-P-C4' energy: -118.719 flat angles P-C4'-P energy: -75.574 tors. eta vs tors. theta energy: -144.007 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: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -1830.073973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.073973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.073973 (E_RNA) where: Base-Base interactions energy: -1283.157 where: short stacking energy: -522.181 Base-Backbone interact. energy: 7.599 local terms energy: -554.516696 where: bonds (distance) C4'-P energy: -84.580 bonds (distance) P-C4' energy: -131.374 flat angles C4'-P-C4' energy: -118.982 flat angles P-C4'-P energy: -75.574 tors. eta vs tors. theta energy: -144.006 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: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1864.718609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.718609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.718609 (E_RNA) where: Base-Base interactions energy: -1292.201 where: short stacking energy: -529.372 Base-Backbone interact. energy: -2.027 local terms energy: -570.490008 where: bonds (distance) C4'-P energy: -100.171 bonds (distance) P-C4' energy: -118.400 flat angles C4'-P-C4' energy: -121.771 flat angles P-C4'-P energy: -79.155 tors. eta vs tors. theta energy: -150.994 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: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1827.642063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.642063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.642063 (E_RNA) where: Base-Base interactions energy: -1278.172 where: short stacking energy: -501.689 Base-Backbone interact. energy: -1.869 local terms energy: -547.601292 where: bonds (distance) C4'-P energy: -93.641 bonds (distance) P-C4' energy: -107.041 flat angles C4'-P-C4' energy: -121.235 flat angles P-C4'-P energy: -75.681 tors. eta vs tors. theta energy: -150.003 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: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -1807.456219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.456219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.456219 (E_RNA) where: Base-Base interactions energy: -1275.208 where: short stacking energy: -512.707 Base-Backbone interact. energy: 3.877 local terms energy: -536.125167 where: bonds (distance) C4'-P energy: -93.577 bonds (distance) P-C4' energy: -111.546 flat angles C4'-P-C4' energy: -112.562 flat angles P-C4'-P energy: -77.465 tors. eta vs tors. theta energy: -140.976 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: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -1744.823566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.823566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.823566 (E_RNA) where: Base-Base interactions energy: -1219.696 where: short stacking energy: -500.885 Base-Backbone interact. energy: -2.151 local terms energy: -522.977376 where: bonds (distance) C4'-P energy: -89.994 bonds (distance) P-C4' energy: -107.841 flat angles C4'-P-C4' energy: -113.803 flat angles P-C4'-P energy: -79.507 tors. eta vs tors. theta energy: -131.834 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: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -1731.694359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.694359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.694359 (E_RNA) where: Base-Base interactions energy: -1215.025 where: short stacking energy: -501.519 Base-Backbone interact. energy: 6.816 local terms energy: -523.485152 where: bonds (distance) C4'-P energy: -99.635 bonds (distance) P-C4' energy: -99.833 flat angles C4'-P-C4' energy: -100.063 flat angles P-C4'-P energy: -81.699 tors. eta vs tors. theta energy: -142.255 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: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -1675.509998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.509998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.509998 (E_RNA) where: Base-Base interactions energy: -1164.636 where: short stacking energy: -486.968 Base-Backbone interact. energy: 0.945 local terms energy: -511.819500 where: bonds (distance) C4'-P energy: -90.539 bonds (distance) P-C4' energy: -98.832 flat angles C4'-P-C4' energy: -105.328 flat angles P-C4'-P energy: -79.005 tors. eta vs tors. theta energy: -138.116 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: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -1642.463588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.463588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.463588 (E_RNA) where: Base-Base interactions energy: -1160.139 where: short stacking energy: -471.123 Base-Backbone interact. energy: 0.208 local terms energy: -482.532948 where: bonds (distance) C4'-P energy: -90.309 bonds (distance) P-C4' energy: -101.573 flat angles C4'-P-C4' energy: -97.397 flat angles P-C4'-P energy: -69.488 tors. eta vs tors. theta energy: -123.765 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: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -1592.099451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.099451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.099451 (E_RNA) where: Base-Base interactions energy: -1106.572 where: short stacking energy: -462.543 Base-Backbone interact. energy: -1.924 local terms energy: -483.603333 where: bonds (distance) C4'-P energy: -84.677 bonds (distance) P-C4' energy: -101.582 flat angles C4'-P-C4' energy: -96.955 flat angles P-C4'-P energy: -71.556 tors. eta vs tors. theta energy: -128.834 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: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -1548.240263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.240263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.240263 (E_RNA) where: Base-Base interactions energy: -1082.414 where: short stacking energy: -424.034 Base-Backbone interact. energy: 1.338 local terms energy: -467.164834 where: bonds (distance) C4'-P energy: -85.737 bonds (distance) P-C4' energy: -99.089 flat angles C4'-P-C4' energy: -112.526 flat angles P-C4'-P energy: -67.220 tors. eta vs tors. theta energy: -102.592 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: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -1415.327819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.327819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.327819 (E_RNA) where: Base-Base interactions energy: -954.253 where: short stacking energy: -418.860 Base-Backbone interact. energy: 0.769 local terms energy: -461.843576 where: bonds (distance) C4'-P energy: -76.253 bonds (distance) P-C4' energy: -100.647 flat angles C4'-P-C4' energy: -97.380 flat angles P-C4'-P energy: -65.911 tors. eta vs tors. theta energy: -121.653 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: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1882.480582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.480582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.480582 (E_RNA) where: Base-Base interactions energy: -1316.313 where: short stacking energy: -526.105 Base-Backbone interact. energy: -1.134 local terms energy: -565.034204 where: bonds (distance) C4'-P energy: -99.352 bonds (distance) P-C4' energy: -111.974 flat angles C4'-P-C4' energy: -117.924 flat angles P-C4'-P energy: -81.858 tors. eta vs tors. theta energy: -153.926 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: 4 Temperature: 0.950000 Total energy: -1847.666967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.666967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.666967 (E_RNA) where: Base-Base interactions energy: -1297.551 where: short stacking energy: -526.929 Base-Backbone interact. energy: -0.393 local terms energy: -549.723503 where: bonds (distance) C4'-P energy: -98.589 bonds (distance) P-C4' energy: -112.604 flat angles C4'-P-C4' energy: -116.681 flat angles P-C4'-P energy: -75.052 tors. eta vs tors. theta energy: -146.796 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: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1823.615072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.615072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.615072 (E_RNA) where: Base-Base interactions energy: -1270.819 where: short stacking energy: -492.253 Base-Backbone interact. energy: -0.538 local terms energy: -552.258173 where: bonds (distance) C4'-P energy: -101.611 bonds (distance) P-C4' energy: -117.825 flat angles C4'-P-C4' energy: -105.578 flat angles P-C4'-P energy: -80.876 tors. eta vs tors. theta energy: -146.367 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: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -1780.108807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.108807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.108807 (E_RNA) where: Base-Base interactions energy: -1243.933 where: short stacking energy: -515.312 Base-Backbone interact. energy: -1.384 local terms energy: -534.791850 where: bonds (distance) C4'-P energy: -99.571 bonds (distance) P-C4' energy: -107.595 flat angles C4'-P-C4' energy: -112.715 flat angles P-C4'-P energy: -73.318 tors. eta vs tors. theta energy: -141.594 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: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -1749.975468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.975468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.975468 (E_RNA) where: Base-Base interactions energy: -1223.249 where: short stacking energy: -495.444 Base-Backbone interact. energy: 3.003 local terms energy: -529.729496 where: bonds (distance) C4'-P energy: -92.796 bonds (distance) P-C4' energy: -109.563 flat angles C4'-P-C4' energy: -102.932 flat angles P-C4'-P energy: -81.721 tors. eta vs tors. theta energy: -142.718 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: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -1661.226003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.226003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.226003 (E_RNA) where: Base-Base interactions energy: -1137.018 where: short stacking energy: -488.575 Base-Backbone interact. energy: -2.758 local terms energy: -521.450057 where: bonds (distance) C4'-P energy: -93.843 bonds (distance) P-C4' energy: -106.250 flat angles C4'-P-C4' energy: -107.536 flat angles P-C4'-P energy: -67.633 tors. eta vs tors. theta energy: -146.187 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: 7, replica: 8 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -1616.213770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.213770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.213770 (E_RNA) where: Base-Base interactions energy: -1125.542 where: short stacking energy: -461.554 Base-Backbone interact. energy: -0.534 local terms energy: -490.137216 where: bonds (distance) C4'-P energy: -90.557 bonds (distance) P-C4' energy: -105.549 flat angles C4'-P-C4' energy: -99.667 flat angles P-C4'-P energy: -67.435 tors. eta vs tors. theta energy: -126.929 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: 8, replica: 7 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -1584.518490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.518490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.518490 (E_RNA) where: Base-Base interactions energy: -1126.765 where: short stacking energy: -447.335 Base-Backbone interact. energy: 3.827 local terms energy: -461.580050 where: bonds (distance) C4'-P energy: -81.646 bonds (distance) P-C4' energy: -95.718 flat angles C4'-P-C4' energy: -97.121 flat angles P-C4'-P energy: -71.426 tors. eta vs tors. theta energy: -115.669 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: 9 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -1532.136786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.136786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.136786 (E_RNA) where: Base-Base interactions energy: -1063.601 where: short stacking energy: -422.869 Base-Backbone interact. energy: 1.914 local terms energy: -470.449895 where: bonds (distance) C4'-P energy: -87.921 bonds (distance) P-C4' energy: -100.531 flat angles C4'-P-C4' energy: -98.351 flat angles P-C4'-P energy: -71.060 tors. eta vs tors. theta energy: -112.588 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: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -1256.540148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.540148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.540148 (E_RNA) where: Base-Base interactions energy: -836.053 where: short stacking energy: -348.682 Base-Backbone interact. energy: -1.193 local terms energy: -419.294199 where: bonds (distance) C4'-P energy: -75.601 bonds (distance) P-C4' energy: -106.280 flat angles C4'-P-C4' energy: -93.816 flat angles P-C4'-P energy: -68.464 tors. eta vs tors. theta energy: -75.134 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: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1858.491170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.491170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.491170 (E_RNA) where: Base-Base interactions energy: -1292.187 where: short stacking energy: -541.151 Base-Backbone interact. energy: -4.383 local terms energy: -561.921247 where: bonds (distance) C4'-P energy: -105.759 bonds (distance) P-C4' energy: -102.625 flat angles C4'-P-C4' energy: -118.705 flat angles P-C4'-P energy: -87.347 tors. eta vs tors. theta energy: -147.486 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: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1810.548849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.548849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.548849 (E_RNA) where: Base-Base interactions energy: -1262.613 where: short stacking energy: -504.045 Base-Backbone interact. energy: 1.496 local terms energy: -549.432588 where: bonds (distance) C4'-P energy: -103.443 bonds (distance) P-C4' energy: -112.471 flat angles C4'-P-C4' energy: -116.744 flat angles P-C4'-P energy: -79.266 tors. eta vs tors. theta energy: -137.510 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: 3, replica: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1844.039957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.039957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.039957 (E_RNA) where: Base-Base interactions energy: -1290.271 where: short stacking energy: -530.795 Base-Backbone interact. energy: 1.378 local terms energy: -555.146734 where: bonds (distance) C4'-P energy: -94.218 bonds (distance) P-C4' energy: -110.956 flat angles C4'-P-C4' energy: -118.484 flat angles P-C4'-P energy: -80.784 tors. eta vs tors. theta energy: -150.705 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: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -1794.220485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.220485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.220485 (E_RNA) where: Base-Base interactions energy: -1249.907 where: short stacking energy: -529.684 Base-Backbone interact. energy: -1.501 local terms energy: -542.812847 where: bonds (distance) C4'-P energy: -93.426 bonds (distance) P-C4' energy: -112.106 flat angles C4'-P-C4' energy: -111.218 flat angles P-C4'-P energy: -75.841 tors. eta vs tors. theta energy: -150.222 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: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -1758.027201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.027201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.027201 (E_RNA) where: Base-Base interactions energy: -1231.224 where: short stacking energy: -522.101 Base-Backbone interact. energy: -1.307 local terms energy: -525.495489 where: bonds (distance) C4'-P energy: -98.453 bonds (distance) P-C4' energy: -110.705 flat angles C4'-P-C4' energy: -104.793 flat angles P-C4'-P energy: -68.624 tors. eta vs tors. theta energy: -142.920 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: 6, replica: 8 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -1696.602886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.602886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.602886 (E_RNA) where: Base-Base interactions energy: -1173.212 where: short stacking energy: -495.744 Base-Backbone interact. energy: -1.606 local terms energy: -521.784976 where: bonds (distance) C4'-P energy: -87.584 bonds (distance) P-C4' energy: -101.647 flat angles C4'-P-C4' energy: -106.110 flat angles P-C4'-P energy: -83.963 tors. eta vs tors. theta energy: -142.480 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: 6 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -1649.920605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.920605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.920605 (E_RNA) where: Base-Base interactions energy: -1138.363 where: short stacking energy: -488.028 Base-Backbone interact. energy: -0.060 local terms energy: -511.497739 where: bonds (distance) C4'-P energy: -91.020 bonds (distance) P-C4' energy: -96.362 flat angles C4'-P-C4' energy: -109.201 flat angles P-C4'-P energy: -74.589 tors. eta vs tors. theta energy: -140.326 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: 8, replica: 7 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -1560.785151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.785151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.785151 (E_RNA) where: Base-Base interactions energy: -1074.190 where: short stacking energy: -420.591 Base-Backbone interact. energy: 1.432 local terms energy: -488.027869 where: bonds (distance) C4'-P energy: -83.817 bonds (distance) P-C4' energy: -113.867 flat angles C4'-P-C4' energy: -107.907 flat angles P-C4'-P energy: -69.214 tors. eta vs tors. theta energy: -113.222 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: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -1446.313160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.313160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.313160 (E_RNA) where: Base-Base interactions energy: -1005.160 where: short stacking energy: -424.911 Base-Backbone interact. energy: 0.376 local terms energy: -441.528442 where: bonds (distance) C4'-P energy: -93.151 bonds (distance) P-C4' energy: -99.721 flat angles C4'-P-C4' energy: -96.893 flat angles P-C4'-P energy: -52.812 tors. eta vs tors. theta energy: -98.951 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: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -1150.003286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.003286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.003286 (E_RNA) where: Base-Base interactions energy: -768.081 where: short stacking energy: -337.674 Base-Backbone interact. energy: -1.995 local terms energy: -379.926676 where: bonds (distance) C4'-P energy: -77.138 bonds (distance) P-C4' energy: -98.362 flat angles C4'-P-C4' energy: -86.743 flat angles P-C4'-P energy: -46.741 tors. eta vs tors. theta energy: -70.942 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: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1860.853304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.853304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.853304 (E_RNA) where: Base-Base interactions energy: -1288.155 where: short stacking energy: -549.528 Base-Backbone interact. energy: -2.025 local terms energy: -570.674006 where: bonds (distance) C4'-P energy: -95.388 bonds (distance) P-C4' energy: -115.124 flat angles C4'-P-C4' energy: -129.131 flat angles P-C4'-P energy: -79.201 tors. eta vs tors. theta energy: -151.830 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: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1846.335421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.335421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.335421 (E_RNA) where: Base-Base interactions energy: -1279.251 where: short stacking energy: -539.506 Base-Backbone interact. energy: -1.459 local terms energy: -565.625171 where: bonds (distance) C4'-P energy: -102.042 bonds (distance) P-C4' energy: -116.399 flat angles C4'-P-C4' energy: -114.952 flat angles P-C4'-P energy: -74.817 tors. eta vs tors. theta energy: -157.416 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: 3, replica: 2 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1820.776377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.776377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.776377 (E_RNA) where: Base-Base interactions energy: -1279.518 where: short stacking energy: -524.435 Base-Backbone interact. energy: 1.411 local terms energy: -542.668809 where: bonds (distance) C4'-P energy: -90.075 bonds (distance) P-C4' energy: -110.734 flat angles C4'-P-C4' energy: -116.602 flat angles P-C4'-P energy: -71.988 tors. eta vs tors. theta energy: -153.270 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: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1783.011110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.011110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.011110 (E_RNA) where: Base-Base interactions energy: -1243.081 where: short stacking energy: -516.198 Base-Backbone interact. energy: 2.869 local terms energy: -542.798453 where: bonds (distance) C4'-P energy: -100.345 bonds (distance) P-C4' energy: -115.812 flat angles C4'-P-C4' energy: -112.341 flat angles P-C4'-P energy: -76.404 tors. eta vs tors. theta energy: -137.897 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: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -1768.359623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.359623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.359623 (E_RNA) where: Base-Base interactions energy: -1228.065 where: short stacking energy: -513.322 Base-Backbone interact. energy: 1.209 local terms energy: -541.503380 where: bonds (distance) C4'-P energy: -108.255 bonds (distance) P-C4' energy: -99.386 flat angles C4'-P-C4' energy: -105.133 flat angles P-C4'-P energy: -73.536 tors. eta vs tors. theta energy: -155.193 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: 6, replica: 8 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -1665.658640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.658640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.658640 (E_RNA) where: Base-Base interactions energy: -1164.963 where: short stacking energy: -476.761 Base-Backbone interact. energy: -1.388 local terms energy: -499.307871 where: bonds (distance) C4'-P energy: -85.059 bonds (distance) P-C4' energy: -117.280 flat angles C4'-P-C4' energy: -105.806 flat angles P-C4'-P energy: -71.140 tors. eta vs tors. theta energy: -120.024 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: 7, replica: 6 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -1643.723896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.723896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.723896 (E_RNA) where: Base-Base interactions energy: -1135.303 where: short stacking energy: -465.985 Base-Backbone interact. energy: 4.672 local terms energy: -513.093140 where: bonds (distance) C4'-P energy: -97.339 bonds (distance) P-C4' energy: -95.331 flat angles C4'-P-C4' energy: -114.121 flat angles P-C4'-P energy: -75.545 tors. eta vs tors. theta energy: -130.757 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: 7 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -1523.470353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.470353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.470353 (E_RNA) where: Base-Base interactions energy: -1064.515 where: short stacking energy: -446.121 Base-Backbone interact. energy: 2.103 local terms energy: -461.058310 where: bonds (distance) C4'-P energy: -93.107 bonds (distance) P-C4' energy: -102.114 flat angles C4'-P-C4' energy: -98.810 flat angles P-C4'-P energy: -58.533 tors. eta vs tors. theta energy: -108.495 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: 9, replica: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -1414.375272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.375272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.375272 (E_RNA) where: Base-Base interactions energy: -1007.612 where: short stacking energy: -401.441 Base-Backbone interact. energy: 1.369 local terms energy: -408.132533 where: bonds (distance) C4'-P energy: -76.963 bonds (distance) P-C4' energy: -92.682 flat angles C4'-P-C4' energy: -95.482 flat angles P-C4'-P energy: -52.273 tors. eta vs tors. theta energy: -90.733 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: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -1207.659210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.659210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.659210 (E_RNA) where: Base-Base interactions energy: -806.390 where: short stacking energy: -330.034 Base-Backbone interact. energy: 0.008 local terms energy: -401.277293 where: bonds (distance) C4'-P energy: -82.547 bonds (distance) P-C4' energy: -91.869 flat angles C4'-P-C4' energy: -98.684 flat angles P-C4'-P energy: -56.508 tors. eta vs tors. theta energy: -71.669 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: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1884.768913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.768913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.768913 (E_RNA) where: Base-Base interactions energy: -1309.831 where: short stacking energy: -561.214 Base-Backbone interact. energy: 1.213 local terms energy: -576.150345 where: bonds (distance) C4'-P energy: -96.258 bonds (distance) P-C4' energy: -122.141 flat angles C4'-P-C4' energy: -119.898 flat angles P-C4'-P energy: -82.179 tors. eta vs tors. theta energy: -155.675 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: 2, replica: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1837.467095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.467095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.467095 (E_RNA) where: Base-Base interactions energy: -1282.920 where: short stacking energy: -523.899 Base-Backbone interact. energy: -0.234 local terms energy: -554.313810 where: bonds (distance) C4'-P energy: -95.845 bonds (distance) P-C4' energy: -119.450 flat angles C4'-P-C4' energy: -109.854 flat angles P-C4'-P energy: -75.998 tors. eta vs tors. theta energy: -153.167 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: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1817.603588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.603588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.603588 (E_RNA) where: Base-Base interactions energy: -1274.833 where: short stacking energy: -522.916 Base-Backbone interact. energy: -0.715 local terms energy: -542.055439 where: bonds (distance) C4'-P energy: -92.057 bonds (distance) P-C4' energy: -109.352 flat angles C4'-P-C4' energy: -117.724 flat angles P-C4'-P energy: -71.230 tors. eta vs tors. theta energy: -151.693 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: 4, replica: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1758.846428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.846428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.846428 (E_RNA) where: Base-Base interactions energy: -1232.452 where: short stacking energy: -512.924 Base-Backbone interact. energy: -0.188 local terms energy: -526.205730 where: bonds (distance) C4'-P energy: -93.074 bonds (distance) P-C4' energy: -101.237 flat angles C4'-P-C4' energy: -112.662 flat angles P-C4'-P energy: -76.550 tors. eta vs tors. theta energy: -142.682 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: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -1759.373851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.373851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.373851 (E_RNA) where: Base-Base interactions energy: -1229.945 where: short stacking energy: -513.868 Base-Backbone interact. energy: 1.310 local terms energy: -530.738262 where: bonds (distance) C4'-P energy: -89.077 bonds (distance) P-C4' energy: -110.912 flat angles C4'-P-C4' energy: -111.074 flat angles P-C4'-P energy: -77.498 tors. eta vs tors. theta energy: -142.177 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: 6, replica: 8 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1698.616484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.616484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.616484 (E_RNA) where: Base-Base interactions energy: -1213.096 where: short stacking energy: -495.921 Base-Backbone interact. energy: -1.390 local terms energy: -484.130653 where: bonds (distance) C4'-P energy: -86.079 bonds (distance) P-C4' energy: -93.161 flat angles C4'-P-C4' energy: -109.751 flat angles P-C4'-P energy: -70.677 tors. eta vs tors. theta energy: -124.464 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: 7, replica: 6 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -1645.861017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.861017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.861017 (E_RNA) where: Base-Base interactions energy: -1141.349 where: short stacking energy: -466.187 Base-Backbone interact. energy: 0.245 local terms energy: -504.756807 where: bonds (distance) C4'-P energy: -87.270 bonds (distance) P-C4' energy: -92.126 flat angles C4'-P-C4' energy: -116.583 flat angles P-C4'-P energy: -72.854 tors. eta vs tors. theta energy: -135.924 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: 7 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -1499.579874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.579874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.579874 (E_RNA) where: Base-Base interactions energy: -1039.688 where: short stacking energy: -427.851 Base-Backbone interact. energy: 6.494 local terms energy: -466.386006 where: bonds (distance) C4'-P energy: -83.902 bonds (distance) P-C4' energy: -103.684 flat angles C4'-P-C4' energy: -102.126 flat angles P-C4'-P energy: -67.812 tors. eta vs tors. theta energy: -108.861 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: 9, replica: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -1403.691045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.691045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.691045 (E_RNA) where: Base-Base interactions energy: -956.991 where: short stacking energy: -408.297 Base-Backbone interact. energy: 7.661 local terms energy: -454.361365 where: bonds (distance) C4'-P energy: -96.718 bonds (distance) P-C4' energy: -107.412 flat angles C4'-P-C4' energy: -89.841 flat angles P-C4'-P energy: -55.584 tors. eta vs tors. theta energy: -104.806 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: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -1189.780795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.780795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.780795 (E_RNA) where: Base-Base interactions energy: -798.972 where: short stacking energy: -345.484 Base-Backbone interact. energy: 2.260 local terms energy: -393.068452 where: bonds (distance) C4'-P energy: -87.605 bonds (distance) P-C4' energy: -92.944 flat angles C4'-P-C4' energy: -86.062 flat angles P-C4'-P energy: -51.389 tors. eta vs tors. theta energy: -75.068 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: 1, replica: 2 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1869.775077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.775077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.775077 (E_RNA) where: Base-Base interactions energy: -1317.249 where: short stacking energy: -549.406 Base-Backbone interact. energy: -0.900 local terms energy: -551.625570 where: bonds (distance) C4'-P energy: -90.322 bonds (distance) P-C4' energy: -111.093 flat angles C4'-P-C4' energy: -115.817 flat angles P-C4'-P energy: -77.352 tors. eta vs tors. theta energy: -157.043 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: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1848.690829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.690829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.690829 (E_RNA) where: Base-Base interactions energy: -1282.274 where: short stacking energy: -537.619 Base-Backbone interact. energy: 4.644 local terms energy: -571.060419 where: bonds (distance) C4'-P energy: -101.128 bonds (distance) P-C4' energy: -117.385 flat angles C4'-P-C4' energy: -115.703 flat angles P-C4'-P energy: -83.817 tors. eta vs tors. theta energy: -153.027 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: 3, replica: 4 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1815.076558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.076558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.076558 (E_RNA) where: Base-Base interactions energy: -1269.204 where: short stacking energy: -540.786 Base-Backbone interact. energy: -1.070 local terms energy: -544.802696 where: bonds (distance) C4'-P energy: -98.999 bonds (distance) P-C4' energy: -106.954 flat angles C4'-P-C4' energy: -110.495 flat angles P-C4'-P energy: -77.971 tors. eta vs tors. theta energy: -150.384 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: 4, replica: 3 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1758.652381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.652381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.652381 (E_RNA) where: Base-Base interactions energy: -1233.392 where: short stacking energy: -504.038 Base-Backbone interact. energy: 0.837 local terms energy: -526.098204 where: bonds (distance) C4'-P energy: -82.575 bonds (distance) P-C4' energy: -105.982 flat angles C4'-P-C4' energy: -111.283 flat angles P-C4'-P energy: -81.558 tors. eta vs tors. theta energy: -144.700 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: 8 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1716.874924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.874924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.874924 (E_RNA) where: Base-Base interactions energy: -1227.807 where: short stacking energy: -510.137 Base-Backbone interact. energy: -0.081 local terms energy: -488.986688 where: bonds (distance) C4'-P energy: -79.005 bonds (distance) P-C4' energy: -96.217 flat angles C4'-P-C4' energy: -111.106 flat angles P-C4'-P energy: -66.393 tors. eta vs tors. theta energy: -136.266 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: 6, replica: 5 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -1707.429446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.429446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.429446 (E_RNA) where: Base-Base interactions energy: -1196.454 where: short stacking energy: -503.729 Base-Backbone interact. energy: 2.176 local terms energy: -513.152121 where: bonds (distance) C4'-P energy: -74.898 bonds (distance) P-C4' energy: -111.468 flat angles C4'-P-C4' energy: -113.903 flat angles P-C4'-P energy: -71.831 tors. eta vs tors. theta energy: -141.052 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: 7, replica: 6 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -1661.946378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.946378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.946378 (E_RNA) where: Base-Base interactions energy: -1159.760 where: short stacking energy: -472.468 Base-Backbone interact. energy: 1.293 local terms energy: -503.480060 where: bonds (distance) C4'-P energy: -92.249 bonds (distance) P-C4' energy: -96.938 flat angles C4'-P-C4' energy: -103.565 flat angles P-C4'-P energy: -78.049 tors. eta vs tors. theta energy: -132.680 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: 8, replica: 7 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -1494.036337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.036337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.036337 (E_RNA) where: Base-Base interactions energy: -1018.639 where: short stacking energy: -416.067 Base-Backbone interact. energy: 1.183 local terms energy: -476.579918 where: bonds (distance) C4'-P energy: -85.221 bonds (distance) P-C4' energy: -100.396 flat angles C4'-P-C4' energy: -106.651 flat angles P-C4'-P energy: -73.200 tors. eta vs tors. theta energy: -111.113 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: 9, replica: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -1376.960939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.960939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.960939 (E_RNA) where: Base-Base interactions energy: -962.294 where: short stacking energy: -400.554 Base-Backbone interact. energy: -1.307 local terms energy: -413.360373 where: bonds (distance) C4'-P energy: -80.070 bonds (distance) P-C4' energy: -85.378 flat angles C4'-P-C4' energy: -104.596 flat angles P-C4'-P energy: -56.211 tors. eta vs tors. theta energy: -87.106 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: 10, replica: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -1214.887373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.887373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.887373 (E_RNA) where: Base-Base interactions energy: -805.766 where: short stacking energy: -352.863 Base-Backbone interact. energy: 3.024 local terms energy: -412.145137 where: bonds (distance) C4'-P energy: -81.068 bonds (distance) P-C4' energy: -96.216 flat angles C4'-P-C4' energy: -95.595 flat angles P-C4'-P energy: -52.572 tors. eta vs tors. theta energy: -86.694 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: 1, replica: 2 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1875.216168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.216168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.216168 (E_RNA) where: Base-Base interactions energy: -1313.749 where: short stacking energy: -548.173 Base-Backbone interact. energy: 2.470 local terms energy: -563.936424 where: bonds (distance) C4'-P energy: -92.977 bonds (distance) P-C4' energy: -126.197 flat angles C4'-P-C4' energy: -115.020 flat angles P-C4'-P energy: -73.306 tors. eta vs tors. theta energy: -156.437 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: 2, replica: 1 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1852.857957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.857957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.857957 (E_RNA) where: Base-Base interactions energy: -1292.010 where: short stacking energy: -537.331 Base-Backbone interact. energy: -1.269 local terms energy: -559.579731 where: bonds (distance) C4'-P energy: -98.347 bonds (distance) P-C4' energy: -112.032 flat angles C4'-P-C4' energy: -120.829 flat angles P-C4'-P energy: -82.667 tors. eta vs tors. theta energy: -145.705 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: 4 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1778.139955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.139955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.139955 (E_RNA) where: Base-Base interactions energy: -1267.035 where: short stacking energy: -517.417 Base-Backbone interact. energy: 2.443 local terms energy: -513.547764 where: bonds (distance) C4'-P energy: -91.621 bonds (distance) P-C4' energy: -101.233 flat angles C4'-P-C4' energy: -106.920 flat angles P-C4'-P energy: -78.341 tors. eta vs tors. theta energy: -135.433 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: 4, replica: 8 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1779.835428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.835428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.835428 (E_RNA) where: Base-Base interactions energy: -1257.727 where: short stacking energy: -524.122 Base-Backbone interact. energy: 5.495 local terms energy: -527.603301 where: bonds (distance) C4'-P energy: -92.629 bonds (distance) P-C4' energy: -108.325 flat angles C4'-P-C4' energy: -110.608 flat angles P-C4'-P energy: -70.926 tors. eta vs tors. theta energy: -145.115 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: 5, replica: 3 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1732.127725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.127725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.127725 (E_RNA) where: Base-Base interactions energy: -1224.764 where: short stacking energy: -515.522 Base-Backbone interact. energy: -1.536 local terms energy: -505.827739 where: bonds (distance) C4'-P energy: -92.556 bonds (distance) P-C4' energy: -100.604 flat angles C4'-P-C4' energy: -106.706 flat angles P-C4'-P energy: -69.469 tors. eta vs tors. theta energy: -136.493 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: 6, replica: 6 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1653.472778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.472778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.472778 (E_RNA) where: Base-Base interactions energy: -1119.860 where: short stacking energy: -452.840 Base-Backbone interact. energy: 0.654 local terms energy: -534.266222 where: bonds (distance) C4'-P energy: -95.213 bonds (distance) P-C4' energy: -112.915 flat angles C4'-P-C4' energy: -110.883 flat angles P-C4'-P energy: -81.849 tors. eta vs tors. theta energy: -133.407 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: 5 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -1648.379483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.379483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.379483 (E_RNA) where: Base-Base interactions energy: -1144.281 where: short stacking energy: -473.046 Base-Backbone interact. energy: -1.067 local terms energy: -503.031770 where: bonds (distance) C4'-P energy: -100.947 bonds (distance) P-C4' energy: -107.663 flat angles C4'-P-C4' energy: -102.749 flat angles P-C4'-P energy: -62.128 tors. eta vs tors. theta energy: -129.544 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: 7 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -1516.768074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.768074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.768074 (E_RNA) where: Base-Base interactions energy: -1050.515 where: short stacking energy: -438.257 Base-Backbone interact. energy: -0.939 local terms energy: -465.314169 where: bonds (distance) C4'-P energy: -85.230 bonds (distance) P-C4' energy: -108.248 flat angles C4'-P-C4' energy: -96.140 flat angles P-C4'-P energy: -67.558 tors. eta vs tors. theta energy: -108.138 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: 9 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -1385.148366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.148366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.148366 (E_RNA) where: Base-Base interactions energy: -919.488 where: short stacking energy: -391.863 Base-Backbone interact. energy: 1.020 local terms energy: -466.681036 where: bonds (distance) C4'-P energy: -95.081 bonds (distance) P-C4' energy: -97.529 flat angles C4'-P-C4' energy: -100.956 flat angles P-C4'-P energy: -61.807 tors. eta vs tors. theta energy: -111.308 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: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -1227.754360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.754360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.754360 (E_RNA) where: Base-Base interactions energy: -822.844 where: short stacking energy: -364.210 Base-Backbone interact. energy: 8.016 local terms energy: -412.926434 where: bonds (distance) C4'-P energy: -74.961 bonds (distance) P-C4' energy: -94.171 flat angles C4'-P-C4' energy: -93.839 flat angles P-C4'-P energy: -62.985 tors. eta vs tors. theta energy: -86.970 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: 1, replica: 1 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1896.366310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.366310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.366310 (E_RNA) where: Base-Base interactions energy: -1312.158 where: short stacking energy: -558.195 Base-Backbone interact. energy: 1.434 local terms energy: -585.642203 where: bonds (distance) C4'-P energy: -101.022 bonds (distance) P-C4' energy: -114.723 flat angles C4'-P-C4' energy: -119.351 flat angles P-C4'-P energy: -85.686 tors. eta vs tors. theta energy: -164.860 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: 2 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1846.585313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.585313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.585313 (E_RNA) where: Base-Base interactions energy: -1279.944 where: short stacking energy: -533.854 Base-Backbone interact. energy: 0.802 local terms energy: -567.444100 where: bonds (distance) C4'-P energy: -98.505 bonds (distance) P-C4' energy: -108.683 flat angles C4'-P-C4' energy: -119.267 flat angles P-C4'-P energy: -85.467 tors. eta vs tors. theta energy: -155.523 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: 3, replica: 8 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1826.422506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.422506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.422506 (E_RNA) where: Base-Base interactions energy: -1274.899 where: short stacking energy: -525.567 Base-Backbone interact. energy: -2.330 local terms energy: -549.194147 where: bonds (distance) C4'-P energy: -91.799 bonds (distance) P-C4' energy: -97.443 flat angles C4'-P-C4' energy: -114.969 flat angles P-C4'-P energy: -94.965 tors. eta vs tors. theta energy: -150.018 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: 4, replica: 4 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1762.132381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.132381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.132381 (E_RNA) where: Base-Base interactions energy: -1231.355 where: short stacking energy: -504.093 Base-Backbone interact. energy: 0.003 local terms energy: -530.780615 where: bonds (distance) C4'-P energy: -96.804 bonds (distance) P-C4' energy: -94.231 flat angles C4'-P-C4' energy: -118.437 flat angles P-C4'-P energy: -78.661 tors. eta vs tors. theta energy: -142.648 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: 5, replica: 3 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1688.800028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.800028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.800028 (E_RNA) where: Base-Base interactions energy: -1175.260 where: short stacking energy: -486.720 Base-Backbone interact. energy: 0.696 local terms energy: -514.236149 where: bonds (distance) C4'-P energy: -82.407 bonds (distance) P-C4' energy: -111.573 flat angles C4'-P-C4' energy: -104.611 flat angles P-C4'-P energy: -81.549 tors. eta vs tors. theta energy: -134.096 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: 6 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1645.099631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.099631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.099631 (E_RNA) where: Base-Base interactions energy: -1140.190 where: short stacking energy: -473.643 Base-Backbone interact. energy: 0.399 local terms energy: -505.308622 where: bonds (distance) C4'-P energy: -95.459 bonds (distance) P-C4' energy: -98.849 flat angles C4'-P-C4' energy: -115.157 flat angles P-C4'-P energy: -74.208 tors. eta vs tors. theta energy: -121.636 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: 5 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -1666.161224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.161224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.161224 (E_RNA) where: Base-Base interactions energy: -1169.182 where: short stacking energy: -466.684 Base-Backbone interact. energy: -0.403 local terms energy: -496.576154 where: bonds (distance) C4'-P energy: -100.684 bonds (distance) P-C4' energy: -102.144 flat angles C4'-P-C4' energy: -99.254 flat angles P-C4'-P energy: -61.128 tors. eta vs tors. theta energy: -133.366 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: 8, replica: 7 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -1497.068431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.068431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.068431 (E_RNA) where: Base-Base interactions energy: -1015.261 where: short stacking energy: -420.602 Base-Backbone interact. energy: 2.251 local terms energy: -484.059254 where: bonds (distance) C4'-P energy: -79.323 bonds (distance) P-C4' energy: -97.805 flat angles C4'-P-C4' energy: -108.473 flat angles P-C4'-P energy: -77.428 tors. eta vs tors. theta energy: -121.030 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: 9, replica: 9 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -1414.886917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.886917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.886917 (E_RNA) where: Base-Base interactions energy: -976.410 where: short stacking energy: -396.298 Base-Backbone interact. energy: 0.189 local terms energy: -438.665561 where: bonds (distance) C4'-P energy: -77.447 bonds (distance) P-C4' energy: -86.451 flat angles C4'-P-C4' energy: -99.220 flat angles P-C4'-P energy: -73.197 tors. eta vs tors. theta energy: -102.351 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: 10, replica: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -1260.407231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.407231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.407231 (E_RNA) where: Base-Base interactions energy: -846.617 where: short stacking energy: -360.598 Base-Backbone interact. energy: -1.292 local terms energy: -412.498236 where: bonds (distance) C4'-P energy: -81.004 bonds (distance) P-C4' energy: -99.551 flat angles C4'-P-C4' energy: -90.055 flat angles P-C4'-P energy: -66.061 tors. eta vs tors. theta energy: -75.828 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: 1 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1881.782221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.782221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.782221 (E_RNA) where: Base-Base interactions energy: -1305.980 where: short stacking energy: -550.842 Base-Backbone interact. energy: -0.106 local terms energy: -575.696389 where: bonds (distance) C4'-P energy: -93.036 bonds (distance) P-C4' energy: -120.408 flat angles C4'-P-C4' energy: -119.867 flat angles P-C4'-P energy: -81.922 tors. eta vs tors. theta energy: -160.464 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: 2, replica: 8 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1856.725735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.725735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.725735 (E_RNA) where: Base-Base interactions energy: -1295.527 where: short stacking energy: -534.708 Base-Backbone interact. energy: 1.041 local terms energy: -562.239925 where: bonds (distance) C4'-P energy: -109.819 bonds (distance) P-C4' energy: -112.023 flat angles C4'-P-C4' energy: -116.596 flat angles P-C4'-P energy: -76.328 tors. eta vs tors. theta energy: -147.473 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: 3, replica: 2 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1796.998953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.998953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.998953 (E_RNA) where: Base-Base interactions energy: -1232.533 where: short stacking energy: -516.373 Base-Backbone interact. energy: 0.850 local terms energy: -565.316098 where: bonds (distance) C4'-P energy: -101.309 bonds (distance) P-C4' energy: -118.982 flat angles C4'-P-C4' energy: -113.167 flat angles P-C4'-P energy: -77.351 tors. eta vs tors. theta energy: -154.507 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: 4, replica: 4 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1789.576891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.576891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.576891 (E_RNA) where: Base-Base interactions energy: -1255.856 where: short stacking energy: -514.009 Base-Backbone interact. energy: -1.918 local terms energy: -531.803484 where: bonds (distance) C4'-P energy: -93.962 bonds (distance) P-C4' energy: -104.711 flat angles C4'-P-C4' energy: -114.668 flat angles P-C4'-P energy: -79.067 tors. eta vs tors. theta energy: -139.395 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: 5, replica: 3 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1694.550582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.550582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.550582 (E_RNA) where: Base-Base interactions energy: -1168.606 where: short stacking energy: -489.026 Base-Backbone interact. energy: 0.725 local terms energy: -526.669144 where: bonds (distance) C4'-P energy: -102.696 bonds (distance) P-C4' energy: -99.774 flat angles C4'-P-C4' energy: -114.241 flat angles P-C4'-P energy: -70.480 tors. eta vs tors. theta energy: -139.478 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: 6, replica: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1658.338622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.338622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.338622 (E_RNA) where: Base-Base interactions energy: -1164.658 where: short stacking energy: -469.128 Base-Backbone interact. energy: -1.163 local terms energy: -492.517474 where: bonds (distance) C4'-P energy: -92.081 bonds (distance) P-C4' energy: -96.004 flat angles C4'-P-C4' energy: -103.854 flat angles P-C4'-P energy: -75.564 tors. eta vs tors. theta energy: -125.015 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: 5 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -1647.348449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.348449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.348449 (E_RNA) where: Base-Base interactions energy: -1172.222 where: short stacking energy: -488.484 Base-Backbone interact. energy: 3.012 local terms energy: -478.138409 where: bonds (distance) C4'-P energy: -87.076 bonds (distance) P-C4' energy: -108.947 flat angles C4'-P-C4' energy: -87.331 flat angles P-C4'-P energy: -62.144 tors. eta vs tors. theta energy: -132.642 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: 8, replica: 7 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -1468.457617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.457617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.457617 (E_RNA) where: Base-Base interactions energy: -998.098 where: short stacking energy: -421.763 Base-Backbone interact. energy: -1.709 local terms energy: -468.650776 where: bonds (distance) C4'-P energy: -76.927 bonds (distance) P-C4' energy: -97.801 flat angles C4'-P-C4' energy: -109.836 flat angles P-C4'-P energy: -71.591 tors. eta vs tors. theta energy: -112.495 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: 9, replica: 9 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -1405.190265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.190265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.190265 (E_RNA) where: Base-Base interactions energy: -971.178 where: short stacking energy: -407.781 Base-Backbone interact. energy: 3.137 local terms energy: -437.149051 where: bonds (distance) C4'-P energy: -80.718 bonds (distance) P-C4' energy: -88.666 flat angles C4'-P-C4' energy: -104.853 flat angles P-C4'-P energy: -62.935 tors. eta vs tors. theta energy: -99.977 Dist. restrs. and SS energy: 0.000 (S_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: 11 Temperature: 1.350000 Total energy: -1238.428187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.428187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.428187 (E_RNA) where: Base-Base interactions energy: -835.146 where: short stacking energy: -364.225 Base-Backbone interact. energy: -1.434 local terms energy: -401.848132 where: bonds (distance) C4'-P energy: -81.344 bonds (distance) P-C4' energy: -89.648 flat angles C4'-P-C4' energy: -97.673 flat angles P-C4'-P energy: -56.648 tors. eta vs tors. theta energy: -76.534 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: 1, replica: 8 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1891.453634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.453634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.453634 (E_RNA) where: Base-Base interactions energy: -1304.148 where: short stacking energy: -550.666 Base-Backbone interact. energy: -3.499 local terms energy: -583.806513 where: bonds (distance) C4'-P energy: -96.677 bonds (distance) P-C4' energy: -119.404 flat angles C4'-P-C4' energy: -124.042 flat angles P-C4'-P energy: -85.021 tors. eta vs tors. theta energy: -158.662 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: 12 Temperature: 0.950000 Total energy: -1855.449258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.449258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.449258 (E_RNA) where: Base-Base interactions energy: -1315.679 where: short stacking energy: -550.392 Base-Backbone interact. energy: -1.501 local terms energy: -538.269327 where: bonds (distance) C4'-P energy: -102.977 bonds (distance) P-C4' energy: -97.741 flat angles C4'-P-C4' energy: -106.289 flat angles P-C4'-P energy: -70.819 tors. eta vs tors. theta energy: -160.444 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: 3, replica: 4 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1813.854514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.854514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.854514 (E_RNA) where: Base-Base interactions energy: -1273.629 where: short stacking energy: -522.150 Base-Backbone interact. energy: 1.016 local terms energy: -541.241897 where: bonds (distance) C4'-P energy: -94.764 bonds (distance) P-C4' energy: -103.701 flat angles C4'-P-C4' energy: -117.309 flat angles P-C4'-P energy: -82.110 tors. eta vs tors. theta energy: -143.358 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: 4, replica: 2 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1770.540884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.540884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.540884 (E_RNA) where: Base-Base interactions energy: -1233.768 where: short stacking energy: -503.125 Base-Backbone interact. energy: 1.138 local terms energy: -537.910791 where: bonds (distance) C4'-P energy: -92.722 bonds (distance) P-C4' energy: -111.393 flat angles C4'-P-C4' energy: -115.349 flat angles P-C4'-P energy: -82.469 tors. eta vs tors. theta energy: -135.977 Dist. restrs. and SS energy: 0.000 (S_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: 12 Temperature: 1.100000 Total energy: -1717.181855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.181855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.181855 (E_RNA) where: Base-Base interactions energy: -1206.400 where: short stacking energy: -491.565 Base-Backbone interact. energy: 0.113 local terms energy: -510.894612 where: bonds (distance) C4'-P energy: -82.845 bonds (distance) P-C4' energy: -103.976 flat angles C4'-P-C4' energy: -106.118 flat angles P-C4'-P energy: -82.982 tors. eta vs tors. theta energy: -134.974 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: 6 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1602.941895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.941895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.941895 (E_RNA) where: Base-Base interactions energy: -1116.632 where: short stacking energy: -463.626 Base-Backbone interact. energy: -2.497 local terms energy: -483.813326 where: bonds (distance) C4'-P energy: -93.900 bonds (distance) P-C4' energy: -100.751 flat angles C4'-P-C4' energy: -107.484 flat angles P-C4'-P energy: -64.244 tors. eta vs tors. theta energy: -117.434 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: 5 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -1643.038765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.038765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.038765 (E_RNA) where: Base-Base interactions energy: -1150.662 where: short stacking energy: -486.287 Base-Backbone interact. energy: 0.755 local terms energy: -493.132199 where: bonds (distance) C4'-P energy: -87.367 bonds (distance) P-C4' energy: -100.195 flat angles C4'-P-C4' energy: -116.401 flat angles P-C4'-P energy: -54.445 tors. eta vs tors. theta energy: -134.725 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: 7 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -1457.130173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.130173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.130173 (E_RNA) where: Base-Base interactions energy: -996.108 where: short stacking energy: -417.046 Base-Backbone interact. energy: 6.565 local terms energy: -467.587877 where: bonds (distance) C4'-P energy: -85.997 bonds (distance) P-C4' energy: -108.051 flat angles C4'-P-C4' energy: -95.014 flat angles P-C4'-P energy: -74.889 tors. eta vs tors. theta energy: -103.637 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: 9 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -1381.115963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.115963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.115963 (E_RNA) where: Base-Base interactions energy: -915.575 where: short stacking energy: -392.263 Base-Backbone interact. energy: 0.019 local terms energy: -465.559476 where: bonds (distance) C4'-P energy: -95.225 bonds (distance) P-C4' energy: -108.237 flat angles C4'-P-C4' energy: -92.925 flat angles P-C4'-P energy: -75.919 tors. eta vs tors. theta energy: -93.254 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: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -1227.946249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.946249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.946249 (E_RNA) where: Base-Base interactions energy: -847.299 where: short stacking energy: -349.643 Base-Backbone interact. energy: 7.669 local terms energy: -388.315266 where: bonds (distance) C4'-P energy: -83.581 bonds (distance) P-C4' energy: -81.711 flat angles C4'-P-C4' energy: -92.714 flat angles P-C4'-P energy: -54.533 tors. eta vs tors. theta energy: -75.777 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: 8 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1888.504223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.504223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.504223 (E_RNA) where: Base-Base interactions energy: -1307.165 where: short stacking energy: -536.757 Base-Backbone interact. energy: 1.992 local terms energy: -583.330548 where: bonds (distance) C4'-P energy: -97.059 bonds (distance) P-C4' energy: -122.347 flat angles C4'-P-C4' energy: -114.952 flat angles P-C4'-P energy: -91.165 tors. eta vs tors. theta energy: -157.808 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: 1 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1858.563708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.563708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.563708 (E_RNA) where: Base-Base interactions energy: -1304.209 where: short stacking energy: -557.127 Base-Backbone interact. energy: -1.020 local terms energy: -553.334234 where: bonds (distance) C4'-P energy: -91.725 bonds (distance) P-C4' energy: -109.524 flat angles C4'-P-C4' energy: -115.955 flat angles P-C4'-P energy: -86.605 tors. eta vs tors. theta energy: -149.524 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: 3, replica: 4 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1802.252767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.252767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.252767 (E_RNA) where: Base-Base interactions energy: -1255.835 where: short stacking energy: -523.764 Base-Backbone interact. energy: 1.568 local terms energy: -547.986207 where: bonds (distance) C4'-P energy: -92.123 bonds (distance) P-C4' energy: -114.867 flat angles C4'-P-C4' energy: -117.363 flat angles P-C4'-P energy: -74.040 tors. eta vs tors. theta energy: -149.594 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: 2 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1765.476316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.476316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.476316 (E_RNA) where: Base-Base interactions energy: -1245.796 where: short stacking energy: -518.846 Base-Backbone interact. energy: 2.288 local terms energy: -521.967597 where: bonds (distance) C4'-P energy: -89.231 bonds (distance) P-C4' energy: -102.061 flat angles C4'-P-C4' energy: -109.275 flat angles P-C4'-P energy: -73.977 tors. eta vs tors. theta energy: -147.425 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: 5, replica: 3 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1706.641793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.641793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.641793 (E_RNA) where: Base-Base interactions energy: -1194.132 where: short stacking energy: -506.073 Base-Backbone interact. energy: 9.512 local terms energy: -522.022539 where: bonds (distance) C4'-P energy: -100.830 bonds (distance) P-C4' energy: -102.285 flat angles C4'-P-C4' energy: -107.950 flat angles P-C4'-P energy: -74.388 tors. eta vs tors. theta energy: -136.570 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: 13 Temperature: 1.150000 Total energy: -1706.199580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.199580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.199580 (E_RNA) where: Base-Base interactions energy: -1202.597 where: short stacking energy: -496.012 Base-Backbone interact. energy: -1.500 local terms energy: -502.102226 where: bonds (distance) C4'-P energy: -85.534 bonds (distance) P-C4' energy: -112.081 flat angles C4'-P-C4' energy: -100.267 flat angles P-C4'-P energy: -62.013 tors. eta vs tors. theta energy: -142.208 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: 6 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -1629.331405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.331405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.331405 (E_RNA) where: Base-Base interactions energy: -1153.676 where: short stacking energy: -470.545 Base-Backbone interact. energy: 2.017 local terms energy: -477.672343 where: bonds (distance) C4'-P energy: -85.988 bonds (distance) P-C4' energy: -94.133 flat angles C4'-P-C4' energy: -96.967 flat angles P-C4'-P energy: -60.565 tors. eta vs tors. theta energy: -140.018 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: 8, replica: 7 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -1478.355429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.355429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.355429 (E_RNA) where: Base-Base interactions energy: -1016.504 where: short stacking energy: -433.243 Base-Backbone interact. energy: -1.025 local terms energy: -460.826480 where: bonds (distance) C4'-P energy: -77.452 bonds (distance) P-C4' energy: -116.222 flat angles C4'-P-C4' energy: -98.157 flat angles P-C4'-P energy: -57.935 tors. eta vs tors. theta energy: -111.062 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: 9, replica: 9 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -1390.849718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.849718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.849718 (E_RNA) where: Base-Base interactions energy: -956.050 where: short stacking energy: -403.400 Base-Backbone interact. energy: 3.262 local terms energy: -438.061262 where: bonds (distance) C4'-P energy: -82.986 bonds (distance) P-C4' energy: -94.826 flat angles C4'-P-C4' energy: -95.427 flat angles P-C4'-P energy: -75.396 tors. eta vs tors. theta energy: -89.426 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: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -1218.835602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.835602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.835602 (E_RNA) where: Base-Base interactions energy: -812.944 where: short stacking energy: -337.811 Base-Backbone interact. energy: 4.709 local terms energy: -410.601234 where: bonds (distance) C4'-P energy: -83.885 bonds (distance) P-C4' energy: -103.818 flat angles C4'-P-C4' energy: -90.996 flat angles P-C4'-P energy: -51.581 tors. eta vs tors. theta energy: -80.321 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: 8 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1888.499540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.499540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.499540 (E_RNA) where: Base-Base interactions energy: -1325.487 where: short stacking energy: -556.841 Base-Backbone interact. energy: -0.524 local terms energy: -562.489051 where: bonds (distance) C4'-P energy: -100.663 bonds (distance) P-C4' energy: -110.080 flat angles C4'-P-C4' energy: -117.161 flat angles P-C4'-P energy: -85.890 tors. eta vs tors. theta energy: -148.695 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: 2, replica: 1 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1858.648302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.648302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.648302 (E_RNA) where: Base-Base interactions energy: -1300.120 where: short stacking energy: -551.492 Base-Backbone interact. energy: 1.815 local terms energy: -560.344110 where: bonds (distance) C4'-P energy: -95.741 bonds (distance) P-C4' energy: -105.469 flat angles C4'-P-C4' energy: -116.012 flat angles P-C4'-P energy: -83.774 tors. eta vs tors. theta energy: -159.347 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: 3, replica: 2 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1828.843277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.843277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.843277 (E_RNA) where: Base-Base interactions energy: -1272.744 where: short stacking energy: -532.430 Base-Backbone interact. energy: 2.698 local terms energy: -558.797679 where: bonds (distance) C4'-P energy: -98.853 bonds (distance) P-C4' energy: -112.473 flat angles C4'-P-C4' energy: -117.720 flat angles P-C4'-P energy: -75.149 tors. eta vs tors. theta energy: -154.603 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: 4, replica: 4 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1772.901807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.901807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.901807 (E_RNA) where: Base-Base interactions energy: -1251.823 where: short stacking energy: -514.104 Base-Backbone interact. energy: -0.590 local terms energy: -520.488423 where: bonds (distance) C4'-P energy: -90.892 bonds (distance) P-C4' energy: -104.905 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -73.162 tors. eta vs tors. theta energy: -136.255 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: 5, replica: 3 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1752.431053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.431053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.431053 (E_RNA) where: Base-Base interactions energy: -1231.452 where: short stacking energy: -491.971 Base-Backbone interact. energy: 1.853 local terms energy: -522.831925 where: bonds (distance) C4'-P energy: -84.660 bonds (distance) P-C4' energy: -111.045 flat angles C4'-P-C4' energy: -108.433 flat angles P-C4'-P energy: -76.209 tors. eta vs tors. theta energy: -142.485 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: 5 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1686.925798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.925798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.925798 (E_RNA) where: Base-Base interactions energy: -1179.286 where: short stacking energy: -474.035 Base-Backbone interact. energy: -1.581 local terms energy: -506.059004 where: bonds (distance) C4'-P energy: -92.967 bonds (distance) P-C4' energy: -93.196 flat angles C4'-P-C4' energy: -113.428 flat angles P-C4'-P energy: -70.046 tors. eta vs tors. theta energy: -136.423 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: 7, replica: 6 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1652.501299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.501299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.501299 (E_RNA) where: Base-Base interactions energy: -1167.704 where: short stacking energy: -482.581 Base-Backbone interact. energy: 2.384 local terms energy: -487.181595 where: bonds (distance) C4'-P energy: -86.732 bonds (distance) P-C4' energy: -102.822 flat angles C4'-P-C4' energy: -102.389 flat angles P-C4'-P energy: -59.653 tors. eta vs tors. theta energy: -135.585 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: 7 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -1512.371757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.371757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.371757 (E_RNA) where: Base-Base interactions energy: -1022.961 where: short stacking energy: -432.649 Base-Backbone interact. energy: 3.579 local terms energy: -492.989651 where: bonds (distance) C4'-P energy: -91.724 bonds (distance) P-C4' energy: -111.376 flat angles C4'-P-C4' energy: -112.714 flat angles P-C4'-P energy: -62.852 tors. eta vs tors. theta energy: -114.323 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: 9, replica: 9 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -1411.992605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.992605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.992605 (E_RNA) where: Base-Base interactions energy: -984.948 where: short stacking energy: -424.876 Base-Backbone interact. energy: 5.333 local terms energy: -432.377726 where: bonds (distance) C4'-P energy: -72.247 bonds (distance) P-C4' energy: -100.001 flat angles C4'-P-C4' energy: -101.038 flat angles P-C4'-P energy: -61.715 tors. eta vs tors. theta energy: -97.377 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: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -1251.125545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.125545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.125545 (E_RNA) where: Base-Base interactions energy: -815.520 where: short stacking energy: -369.622 Base-Backbone interact. energy: 6.159 local terms energy: -441.764899 where: bonds (distance) C4'-P energy: -94.045 bonds (distance) P-C4' energy: -105.431 flat angles C4'-P-C4' energy: -95.405 flat angles P-C4'-P energy: -56.406 tors. eta vs tors. theta energy: -90.479 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: 1, replica: 8 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1889.271033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.271033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.271033 (E_RNA) where: Base-Base interactions energy: -1314.339 where: short stacking energy: -555.684 Base-Backbone interact. energy: 1.588 local terms energy: -576.520307 where: bonds (distance) C4'-P energy: -102.256 bonds (distance) P-C4' energy: -109.617 flat angles C4'-P-C4' energy: -123.295 flat angles P-C4'-P energy: -81.966 tors. eta vs tors. theta energy: -159.386 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: 2, replica: 1 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1863.924454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.924454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.924454 (E_RNA) where: Base-Base interactions energy: -1303.833 where: short stacking energy: -542.167 Base-Backbone interact. energy: 1.416 local terms energy: -561.507865 where: bonds (distance) C4'-P energy: -100.650 bonds (distance) P-C4' energy: -109.452 flat angles C4'-P-C4' energy: -116.428 flat angles P-C4'-P energy: -78.775 tors. eta vs tors. theta energy: -156.203 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: 3, replica: 2 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1801.514012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.514012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.514012 (E_RNA) where: Base-Base interactions energy: -1255.579 where: short stacking energy: -540.379 Base-Backbone interact. energy: -0.157 local terms energy: -545.778179 where: bonds (distance) C4'-P energy: -98.756 bonds (distance) P-C4' energy: -106.030 flat angles C4'-P-C4' energy: -117.473 flat angles P-C4'-P energy: -73.650 tors. eta vs tors. theta energy: -149.869 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: 4, replica: 3 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1788.307363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.307363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.307363 (E_RNA) where: Base-Base interactions energy: -1259.607 where: short stacking energy: -518.688 Base-Backbone interact. energy: 0.007 local terms energy: -528.707680 where: bonds (distance) C4'-P energy: -90.594 bonds (distance) P-C4' energy: -93.748 flat angles C4'-P-C4' energy: -114.351 flat angles P-C4'-P energy: -81.444 tors. eta vs tors. theta energy: -148.570 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: 5, replica: 4 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1735.631327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.631327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.631327 (E_RNA) where: Base-Base interactions energy: -1205.438 where: short stacking energy: -495.952 Base-Backbone interact. energy: -0.788 local terms energy: -529.404744 where: bonds (distance) C4'-P energy: -94.842 bonds (distance) P-C4' energy: -110.335 flat angles C4'-P-C4' energy: -105.786 flat angles P-C4'-P energy: -84.753 tors. eta vs tors. theta energy: -133.688 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: 6, replica: 5 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1693.891647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.891647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.891647 (E_RNA) where: Base-Base interactions energy: -1181.532 where: short stacking energy: -492.925 Base-Backbone interact. energy: 2.958 local terms energy: -515.317676 where: bonds (distance) C4'-P energy: -94.962 bonds (distance) P-C4' energy: -108.672 flat angles C4'-P-C4' energy: -112.813 flat angles P-C4'-P energy: -75.622 tors. eta vs tors. theta energy: -123.248 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: 7, replica: 6 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -1642.830913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.830913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.830913 (E_RNA) where: Base-Base interactions energy: -1151.668 where: short stacking energy: -463.577 Base-Backbone interact. energy: 2.712 local terms energy: -493.874868 where: bonds (distance) C4'-P energy: -84.275 bonds (distance) P-C4' energy: -100.259 flat angles C4'-P-C4' energy: -107.875 flat angles P-C4'-P energy: -69.808 tors. eta vs tors. theta energy: -131.658 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: 7 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -1501.847910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.847910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.847910 (E_RNA) where: Base-Base interactions energy: -1052.059 where: short stacking energy: -432.475 Base-Backbone interact. energy: -1.208 local terms energy: -448.581356 where: bonds (distance) C4'-P energy: -83.603 bonds (distance) P-C4' energy: -81.369 flat angles C4'-P-C4' energy: -105.230 flat angles P-C4'-P energy: -76.008 tors. eta vs tors. theta energy: -102.371 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: 9, replica: 9 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -1407.163875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.163875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.163875 (E_RNA) where: Base-Base interactions energy: -968.575 where: short stacking energy: -404.961 Base-Backbone interact. energy: -0.806 local terms energy: -437.782165 where: bonds (distance) C4'-P energy: -79.474 bonds (distance) P-C4' energy: -103.046 flat angles C4'-P-C4' energy: -94.813 flat angles P-C4'-P energy: -60.662 tors. eta vs tors. theta energy: -99.788 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: 10, replica: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -1251.917774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.917774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.917774 (E_RNA) where: Base-Base interactions energy: -823.545 where: short stacking energy: -348.674 Base-Backbone interact. energy: -2.095 local terms energy: -426.278152 where: bonds (distance) C4'-P energy: -89.834 bonds (distance) P-C4' energy: -100.322 flat angles C4'-P-C4' energy: -96.410 flat angles P-C4'-P energy: -68.131 tors. eta vs tors. theta energy: -71.583 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: 1, replica: 8 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1902.019967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.019967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.019967 (E_RNA) where: Base-Base interactions energy: -1324.430 where: short stacking energy: -546.280 Base-Backbone interact. energy: -1.076 local terms energy: -576.513639 where: bonds (distance) C4'-P energy: -108.519 bonds (distance) P-C4' energy: -109.699 flat angles C4'-P-C4' energy: -113.068 flat angles P-C4'-P energy: -86.054 tors. eta vs tors. theta energy: -159.174 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: 2, replica: 1 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1856.979685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.979685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.979685 (E_RNA) where: Base-Base interactions energy: -1287.439 where: short stacking energy: -552.656 Base-Backbone interact. energy: 1.674 local terms energy: -571.214579 where: bonds (distance) C4'-P energy: -100.260 bonds (distance) P-C4' energy: -111.577 flat angles C4'-P-C4' energy: -116.958 flat angles P-C4'-P energy: -82.327 tors. eta vs tors. theta energy: -160.092 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: 2 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1801.553227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.553227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.553227 (E_RNA) where: Base-Base interactions energy: -1256.158 where: short stacking energy: -512.817 Base-Backbone interact. energy: -2.126 local terms energy: -543.268856 where: bonds (distance) C4'-P energy: -83.699 bonds (distance) P-C4' energy: -110.354 flat angles C4'-P-C4' energy: -122.131 flat angles P-C4'-P energy: -70.566 tors. eta vs tors. theta energy: -156.519 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: 4, replica: 3 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1766.311246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.311246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.311246 (E_RNA) where: Base-Base interactions energy: -1230.582 where: short stacking energy: -524.902 Base-Backbone interact. energy: -0.052 local terms energy: -535.677161 where: bonds (distance) C4'-P energy: -107.376 bonds (distance) P-C4' energy: -96.183 flat angles C4'-P-C4' energy: -109.999 flat angles P-C4'-P energy: -69.640 tors. eta vs tors. theta energy: -152.479 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: 5, replica: 4 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1739.508216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.508216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.508216 (E_RNA) where: Base-Base interactions energy: -1227.344 where: short stacking energy: -488.529 Base-Backbone interact. energy: -2.833 local terms energy: -509.331227 where: bonds (distance) C4'-P energy: -90.884 bonds (distance) P-C4' energy: -107.559 flat angles C4'-P-C4' energy: -107.577 flat angles P-C4'-P energy: -74.265 tors. eta vs tors. theta energy: -129.046 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: 6, replica: 5 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1650.465793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.465793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.465793 (E_RNA) where: Base-Base interactions energy: -1164.226 where: short stacking energy: -475.134 Base-Backbone interact. energy: -0.357 local terms energy: -485.882823 where: bonds (distance) C4'-P energy: -83.976 bonds (distance) P-C4' energy: -115.437 flat angles C4'-P-C4' energy: -94.277 flat angles P-C4'-P energy: -68.758 tors. eta vs tors. theta energy: -123.435 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: 7, replica: 6 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1630.956550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.956550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.956550 (E_RNA) where: Base-Base interactions energy: -1155.904 where: short stacking energy: -470.558 Base-Backbone interact. energy: -1.504 local terms energy: -473.549007 where: bonds (distance) C4'-P energy: -81.741 bonds (distance) P-C4' energy: -92.846 flat angles C4'-P-C4' energy: -102.332 flat angles P-C4'-P energy: -68.485 tors. eta vs tors. theta energy: -128.145 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: 8, replica: 7 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -1476.126533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.126533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.126533 (E_RNA) where: Base-Base interactions energy: -1032.656 where: short stacking energy: -416.423 Base-Backbone interact. energy: 2.391 local terms energy: -445.860816 where: bonds (distance) C4'-P energy: -82.104 bonds (distance) P-C4' energy: -112.479 flat angles C4'-P-C4' energy: -91.855 flat angles P-C4'-P energy: -61.105 tors. eta vs tors. theta energy: -98.319 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: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -1346.588174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.588174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.588174 (E_RNA) where: Base-Base interactions energy: -897.592 where: short stacking energy: -387.623 Base-Backbone interact. energy: -2.612 local terms energy: -446.384399 where: bonds (distance) C4'-P energy: -95.545 bonds (distance) P-C4' energy: -101.809 flat angles C4'-P-C4' energy: -91.880 flat angles P-C4'-P energy: -62.239 tors. eta vs tors. theta energy: -94.912 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: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -1193.893309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.893309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.893309 (E_RNA) where: Base-Base interactions energy: -774.157 where: short stacking energy: -320.276 Base-Backbone interact. energy: 1.016 local terms energy: -420.752748 where: bonds (distance) C4'-P energy: -80.920 bonds (distance) P-C4' energy: -116.380 flat angles C4'-P-C4' energy: -95.160 flat angles P-C4'-P energy: -62.656 tors. eta vs tors. theta energy: -65.637 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: 1, replica: 8 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1896.031602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.031602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.031602 (E_RNA) where: Base-Base interactions energy: -1325.762 where: short stacking energy: -539.771 Base-Backbone interact. energy: 0.305 local terms energy: -570.575078 where: bonds (distance) C4'-P energy: -91.743 bonds (distance) P-C4' energy: -121.447 flat angles C4'-P-C4' energy: -119.391 flat angles P-C4'-P energy: -81.539 tors. eta vs tors. theta energy: -156.455 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: 1 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1871.592872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.592872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.592872 (E_RNA) where: Base-Base interactions energy: -1315.338 where: short stacking energy: -553.697 Base-Backbone interact. energy: 0.631 local terms energy: -556.885861 where: bonds (distance) C4'-P energy: -100.032 bonds (distance) P-C4' energy: -111.311 flat angles C4'-P-C4' energy: -115.209 flat angles P-C4'-P energy: -74.015 tors. eta vs tors. theta energy: -156.318 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: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1751.635543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.635543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.635543 (E_RNA) where: Base-Base interactions energy: -1219.865 where: short stacking energy: -514.198 Base-Backbone interact. energy: -1.406 local terms energy: -530.363986 where: bonds (distance) C4'-P energy: -95.812 bonds (distance) P-C4' energy: -109.958 flat angles C4'-P-C4' energy: -114.326 flat angles P-C4'-P energy: -71.128 tors. eta vs tors. theta energy: -139.139 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: 4, replica: 3 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1766.290758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.290758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.290758 (E_RNA) where: Base-Base interactions energy: -1255.099 where: short stacking energy: -522.938 Base-Backbone interact. energy: 0.993 local terms energy: -512.184536 where: bonds (distance) C4'-P energy: -87.479 bonds (distance) P-C4' energy: -113.140 flat angles C4'-P-C4' energy: -95.222 flat angles P-C4'-P energy: -70.544 tors. eta vs tors. theta energy: -145.800 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: 5, replica: 4 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1741.479682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.479682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.479682 (E_RNA) where: Base-Base interactions energy: -1209.974 where: short stacking energy: -496.053 Base-Backbone interact. energy: 2.023 local terms energy: -533.528721 where: bonds (distance) C4'-P energy: -100.013 bonds (distance) P-C4' energy: -118.293 flat angles C4'-P-C4' energy: -104.850 flat angles P-C4'-P energy: -75.793 tors. eta vs tors. theta energy: -134.579 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: 5 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1693.635999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.635999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.635999 (E_RNA) where: Base-Base interactions energy: -1177.842 where: short stacking energy: -486.111 Base-Backbone interact. energy: 3.305 local terms energy: -519.098559 where: bonds (distance) C4'-P energy: -86.623 bonds (distance) P-C4' energy: -100.942 flat angles C4'-P-C4' energy: -114.580 flat angles P-C4'-P energy: -78.061 tors. eta vs tors. theta energy: -138.893 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: 7, replica: 6 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1665.259523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.259523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.259523 (E_RNA) where: Base-Base interactions energy: -1157.225 where: short stacking energy: -475.034 Base-Backbone interact. energy: 1.197 local terms energy: -509.231202 where: bonds (distance) C4'-P energy: -83.263 bonds (distance) P-C4' energy: -108.267 flat angles C4'-P-C4' energy: -107.801 flat angles P-C4'-P energy: -79.020 tors. eta vs tors. theta energy: -130.879 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: 7 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -1452.073755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.073755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.073755 (E_RNA) where: Base-Base interactions energy: -985.890 where: short stacking energy: -425.786 Base-Backbone interact. energy: 0.678 local terms energy: -466.862542 where: bonds (distance) C4'-P energy: -84.810 bonds (distance) P-C4' energy: -106.174 flat angles C4'-P-C4' energy: -91.312 flat angles P-C4'-P energy: -76.406 tors. eta vs tors. theta energy: -108.161 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: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -1368.336530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.336530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.336530 (E_RNA) where: Base-Base interactions energy: -940.589 where: short stacking energy: -399.527 Base-Backbone interact. energy: 6.700 local terms energy: -434.447693 where: bonds (distance) C4'-P energy: -77.081 bonds (distance) P-C4' energy: -98.995 flat angles C4'-P-C4' energy: -91.326 flat angles P-C4'-P energy: -66.050 tors. eta vs tors. theta energy: -100.995 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: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -1238.185030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.185030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.185030 (E_RNA) where: Base-Base interactions energy: -841.142 where: short stacking energy: -356.190 Base-Backbone interact. energy: 3.351 local terms energy: -400.393216 where: bonds (distance) C4'-P energy: -85.231 bonds (distance) P-C4' energy: -100.040 flat angles C4'-P-C4' energy: -89.345 flat angles P-C4'-P energy: -37.672 tors. eta vs tors. theta energy: -88.105 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: 8 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1888.016243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.016243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.016243 (E_RNA) where: Base-Base interactions energy: -1338.151 where: short stacking energy: -553.055 Base-Backbone interact. energy: 2.549 local terms energy: -552.414166 where: bonds (distance) C4'-P energy: -102.234 bonds (distance) P-C4' energy: -108.291 flat angles C4'-P-C4' energy: -112.805 flat angles P-C4'-P energy: -81.150 tors. eta vs tors. theta energy: -147.935 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: 2, replica: 1 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1856.150101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.150101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.150101 (E_RNA) where: Base-Base interactions energy: -1292.089 where: short stacking energy: -527.600 Base-Backbone interact. energy: -1.366 local terms energy: -562.694934 where: bonds (distance) C4'-P energy: -96.968 bonds (distance) P-C4' energy: -114.774 flat angles C4'-P-C4' energy: -122.268 flat angles P-C4'-P energy: -82.162 tors. eta vs tors. theta energy: -146.523 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: 3, replica: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1795.649416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.649416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.649416 (E_RNA) where: Base-Base interactions energy: -1254.737 where: short stacking energy: -515.521 Base-Backbone interact. energy: -0.476 local terms energy: -540.436377 where: bonds (distance) C4'-P energy: -97.974 bonds (distance) P-C4' energy: -104.589 flat angles C4'-P-C4' energy: -114.387 flat angles P-C4'-P energy: -77.807 tors. eta vs tors. theta energy: -145.680 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: 3 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1772.610590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.610590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.610590 (E_RNA) where: Base-Base interactions energy: -1235.217 where: short stacking energy: -515.978 Base-Backbone interact. energy: -1.531 local terms energy: -535.862503 where: bonds (distance) C4'-P energy: -88.635 bonds (distance) P-C4' energy: -115.865 flat angles C4'-P-C4' energy: -109.540 flat angles P-C4'-P energy: -81.592 tors. eta vs tors. theta energy: -140.230 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: 4 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1724.681334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.681334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.681334 (E_RNA) where: Base-Base interactions energy: -1195.595 where: short stacking energy: -496.318 Base-Backbone interact. energy: -0.772 local terms energy: -528.314154 where: bonds (distance) C4'-P energy: -96.082 bonds (distance) P-C4' energy: -95.784 flat angles C4'-P-C4' energy: -118.187 flat angles P-C4'-P energy: -80.361 tors. eta vs tors. theta energy: -137.901 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: 6, replica: 5 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1669.071065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.071065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.071065 (E_RNA) where: Base-Base interactions energy: -1190.730 where: short stacking energy: -485.621 Base-Backbone interact. energy: 4.637 local terms energy: -482.978030 where: bonds (distance) C4'-P energy: -84.999 bonds (distance) P-C4' energy: -95.548 flat angles C4'-P-C4' energy: -113.513 flat angles P-C4'-P energy: -60.745 tors. eta vs tors. theta energy: -128.173 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: 7, replica: 6 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1623.597054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.597054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.597054 (E_RNA) where: Base-Base interactions energy: -1154.471 where: short stacking energy: -476.470 Base-Backbone interact. energy: 7.067 local terms energy: -476.193148 where: bonds (distance) C4'-P energy: -88.223 bonds (distance) P-C4' energy: -98.213 flat angles C4'-P-C4' energy: -100.795 flat angles P-C4'-P energy: -63.290 tors. eta vs tors. theta energy: -125.672 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: 8, replica: 7 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -1412.352874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.352874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.352874 (E_RNA) where: Base-Base interactions energy: -970.388 where: short stacking energy: -420.574 Base-Backbone interact. energy: 1.406 local terms energy: -443.370614 where: bonds (distance) C4'-P energy: -85.795 bonds (distance) P-C4' energy: -97.703 flat angles C4'-P-C4' energy: -100.651 flat angles P-C4'-P energy: -57.479 tors. eta vs tors. theta energy: -101.742 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: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -1336.787834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.787834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.787834 (E_RNA) where: Base-Base interactions energy: -908.752 where: short stacking energy: -405.278 Base-Backbone interact. energy: 3.384 local terms energy: -431.419188 where: bonds (distance) C4'-P energy: -79.503 bonds (distance) P-C4' energy: -95.922 flat angles C4'-P-C4' energy: -101.491 flat angles P-C4'-P energy: -52.091 tors. eta vs tors. theta energy: -102.412 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: 10, replica: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -1201.756535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.756535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.756535 (E_RNA) where: Base-Base interactions energy: -795.075 where: short stacking energy: -346.611 Base-Backbone interact. energy: 2.486 local terms energy: -409.167529 where: bonds (distance) C4'-P energy: -89.257 bonds (distance) P-C4' energy: -87.532 flat angles C4'-P-C4' energy: -91.215 flat angles P-C4'-P energy: -63.273 tors. eta vs tors. theta energy: -77.891 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: 1, replica: 8 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1886.851768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.851768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.851768 (E_RNA) where: Base-Base interactions energy: -1320.635 where: short stacking energy: -546.350 Base-Backbone interact. energy: -0.068 local terms energy: -566.148804 where: bonds (distance) C4'-P energy: -97.153 bonds (distance) P-C4' energy: -114.241 flat angles C4'-P-C4' energy: -116.591 flat angles P-C4'-P energy: -83.070 tors. eta vs tors. theta energy: -155.094 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: 2, replica: 1 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1857.829871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.829871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.829871 (E_RNA) where: Base-Base interactions energy: -1296.831 where: short stacking energy: -550.345 Base-Backbone interact. energy: -1.588 local terms energy: -559.411162 where: bonds (distance) C4'-P energy: -101.442 bonds (distance) P-C4' energy: -102.566 flat angles C4'-P-C4' energy: -119.205 flat angles P-C4'-P energy: -80.236 tors. eta vs tors. theta energy: -155.963 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: 3, replica: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1806.841848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.841848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.841848 (E_RNA) where: Base-Base interactions energy: -1251.397 where: short stacking energy: -523.528 Base-Backbone interact. energy: 0.005 local terms energy: -555.450377 where: bonds (distance) C4'-P energy: -102.507 bonds (distance) P-C4' energy: -106.955 flat angles C4'-P-C4' energy: -116.031 flat angles P-C4'-P energy: -77.461 tors. eta vs tors. theta energy: -152.497 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: 4, replica: 4 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1750.087259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.087259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.087259 (E_RNA) where: Base-Base interactions energy: -1227.193 where: short stacking energy: -505.041 Base-Backbone interact. energy: -2.699 local terms energy: -520.195037 where: bonds (distance) C4'-P energy: -94.518 bonds (distance) P-C4' energy: -101.730 flat angles C4'-P-C4' energy: -118.068 flat angles P-C4'-P energy: -71.484 tors. eta vs tors. theta energy: -134.396 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: 5, replica: 3 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1718.989698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.989698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.989698 (E_RNA) where: Base-Base interactions energy: -1199.396 where: short stacking energy: -501.086 Base-Backbone interact. energy: 0.780 local terms energy: -520.374341 where: bonds (distance) C4'-P energy: -97.853 bonds (distance) P-C4' energy: -107.850 flat angles C4'-P-C4' energy: -103.497 flat angles P-C4'-P energy: -81.382 tors. eta vs tors. theta energy: -129.792 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: 6, replica: 6 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1659.161376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.161376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.161376 (E_RNA) where: Base-Base interactions energy: -1158.873 where: short stacking energy: -473.552 Base-Backbone interact. energy: -0.105 local terms energy: -500.183397 where: bonds (distance) C4'-P energy: -90.690 bonds (distance) P-C4' energy: -107.207 flat angles C4'-P-C4' energy: -106.186 flat angles P-C4'-P energy: -69.003 tors. eta vs tors. theta energy: -127.097 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: 5 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1639.802755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.802755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.802755 (E_RNA) where: Base-Base interactions energy: -1142.912 where: short stacking energy: -467.252 Base-Backbone interact. energy: 4.603 local terms energy: -501.493382 where: bonds (distance) C4'-P energy: -101.116 bonds (distance) P-C4' energy: -102.574 flat angles C4'-P-C4' energy: -108.556 flat angles P-C4'-P energy: -66.603 tors. eta vs tors. theta energy: -122.643 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: 7 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -1446.751035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.751035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.751035 (E_RNA) where: Base-Base interactions energy: -985.335 where: short stacking energy: -403.715 Base-Backbone interact. energy: 1.138 local terms energy: -462.554202 where: bonds (distance) C4'-P energy: -83.957 bonds (distance) P-C4' energy: -118.435 flat angles C4'-P-C4' energy: -88.858 flat angles P-C4'-P energy: -60.920 tors. eta vs tors. theta energy: -110.384 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: 9, replica: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -1378.886453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.886453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.886453 (E_RNA) where: Base-Base interactions energy: -945.457 where: short stacking energy: -402.362 Base-Backbone interact. energy: 1.671 local terms energy: -435.100455 where: bonds (distance) C4'-P energy: -76.196 bonds (distance) P-C4' energy: -103.806 flat angles C4'-P-C4' energy: -99.314 flat angles P-C4'-P energy: -57.522 tors. eta vs tors. theta energy: -98.262 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: 10, replica: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -1193.799698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.799698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.799698 (E_RNA) where: Base-Base interactions energy: -778.809 where: short stacking energy: -340.240 Base-Backbone interact. energy: 1.269 local terms energy: -416.260047 where: bonds (distance) C4'-P energy: -89.751 bonds (distance) P-C4' energy: -97.592 flat angles C4'-P-C4' energy: -90.207 flat angles P-C4'-P energy: -63.467 tors. eta vs tors. theta energy: -75.242 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: 1, replica: 8 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1903.892007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.892007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.892007 (E_RNA) where: Base-Base interactions energy: -1331.513 where: short stacking energy: -538.067 Base-Backbone interact. energy: -1.196 local terms energy: -571.182343 where: bonds (distance) C4'-P energy: -105.905 bonds (distance) P-C4' energy: -112.309 flat angles C4'-P-C4' energy: -122.415 flat angles P-C4'-P energy: -81.476 tors. eta vs tors. theta energy: -149.078 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: 2, replica: 1 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1867.197856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.197856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.197856 (E_RNA) where: Base-Base interactions energy: -1285.793 where: short stacking energy: -534.689 Base-Backbone interact. energy: -0.601 local terms energy: -580.803777 where: bonds (distance) C4'-P energy: -99.796 bonds (distance) P-C4' energy: -125.921 flat angles C4'-P-C4' energy: -124.199 flat angles P-C4'-P energy: -76.743 tors. eta vs tors. theta energy: -154.145 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: 3, replica: 2 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1809.067455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.067455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.067455 (E_RNA) where: Base-Base interactions energy: -1258.507 where: short stacking energy: -528.832 Base-Backbone interact. energy: 0.136 local terms energy: -550.696776 where: bonds (distance) C4'-P energy: -97.306 bonds (distance) P-C4' energy: -111.356 flat angles C4'-P-C4' energy: -118.210 flat angles P-C4'-P energy: -76.452 tors. eta vs tors. theta energy: -147.372 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: 4, replica: 4 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1784.824508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.824508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.824508 (E_RNA) where: Base-Base interactions energy: -1234.293 where: short stacking energy: -509.890 Base-Backbone interact. energy: 0.260 local terms energy: -550.791496 where: bonds (distance) C4'-P energy: -95.650 bonds (distance) P-C4' energy: -115.835 flat angles C4'-P-C4' energy: -113.891 flat angles P-C4'-P energy: -82.294 tors. eta vs tors. theta energy: -143.121 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: 3 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1693.266698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.266698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.266698 (E_RNA) where: Base-Base interactions energy: -1192.210 where: short stacking energy: -492.241 Base-Backbone interact. energy: -0.719 local terms energy: -500.337146 where: bonds (distance) C4'-P energy: -89.971 bonds (distance) P-C4' energy: -105.019 flat angles C4'-P-C4' energy: -111.825 flat angles P-C4'-P energy: -59.728 tors. eta vs tors. theta energy: -133.794 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: 6 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1691.729162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.729162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.729162 (E_RNA) where: Base-Base interactions energy: -1181.711 where: short stacking energy: -500.733 Base-Backbone interact. energy: 1.242 local terms energy: -511.260498 where: bonds (distance) C4'-P energy: -93.032 bonds (distance) P-C4' energy: -103.495 flat angles C4'-P-C4' energy: -112.997 flat angles P-C4'-P energy: -68.797 tors. eta vs tors. theta energy: -132.940 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: 5 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1587.898844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.898844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.898844 (E_RNA) where: Base-Base interactions energy: -1091.056 where: short stacking energy: -443.525 Base-Backbone interact. energy: 2.899 local terms energy: -499.741083 where: bonds (distance) C4'-P energy: -103.170 bonds (distance) P-C4' energy: -101.296 flat angles C4'-P-C4' energy: -107.459 flat angles P-C4'-P energy: -64.752 tors. eta vs tors. theta energy: -123.064 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: 7 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -1445.108816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.108816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.108816 (E_RNA) where: Base-Base interactions energy: -991.384 where: short stacking energy: -412.686 Base-Backbone interact. energy: 1.514 local terms energy: -455.238764 where: bonds (distance) C4'-P energy: -87.221 bonds (distance) P-C4' energy: -92.168 flat angles C4'-P-C4' energy: -107.416 flat angles P-C4'-P energy: -69.566 tors. eta vs tors. theta energy: -98.868 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: 9, replica: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -1414.355902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.355902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.355902 (E_RNA) where: Base-Base interactions energy: -983.728 where: short stacking energy: -431.502 Base-Backbone interact. energy: -0.268 local terms energy: -430.359247 where: bonds (distance) C4'-P energy: -76.223 bonds (distance) P-C4' energy: -84.314 flat angles C4'-P-C4' energy: -93.114 flat angles P-C4'-P energy: -55.230 tors. eta vs tors. theta energy: -121.478 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: 10, replica: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -1168.257323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.257323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.257323 (E_RNA) where: Base-Base interactions energy: -767.802 where: short stacking energy: -339.067 Base-Backbone interact. energy: 0.077 local terms energy: -400.531873 where: bonds (distance) C4'-P energy: -87.362 bonds (distance) P-C4' energy: -90.666 flat angles C4'-P-C4' energy: -82.668 flat angles P-C4'-P energy: -66.523 tors. eta vs tors. theta energy: -73.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1911.957620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.957620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.957620 (E_RNA) where: Base-Base interactions energy: -1337.462 where: short stacking energy: -553.056 Base-Backbone interact. energy: 0.235 local terms energy: -574.730794 where: bonds (distance) C4'-P energy: -98.310 bonds (distance) P-C4' energy: -113.184 flat angles C4'-P-C4' energy: -116.730 flat angles P-C4'-P energy: -82.765 tors. eta vs tors. theta energy: -163.742 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: 2, replica: 1 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1875.587927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.587927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.587927 (E_RNA) where: Base-Base interactions energy: -1298.912 where: short stacking energy: -551.671 Base-Backbone interact. energy: -0.286 local terms energy: -576.389152 where: bonds (distance) C4'-P energy: -100.189 bonds (distance) P-C4' energy: -120.205 flat angles C4'-P-C4' energy: -110.544 flat angles P-C4'-P energy: -84.263 tors. eta vs tors. theta energy: -161.188 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: 21 Temperature: 1.000000 Total energy: -1805.561792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.561792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.561792 (E_RNA) where: Base-Base interactions energy: -1257.069 where: short stacking energy: -522.093 Base-Backbone interact. energy: 2.080 local terms energy: -550.572874 where: bonds (distance) C4'-P energy: -102.437 bonds (distance) P-C4' energy: -109.870 flat angles C4'-P-C4' energy: -118.790 flat angles P-C4'-P energy: -73.647 tors. eta vs tors. theta energy: -145.828 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: 4 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1765.346228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.346228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.346228 (E_RNA) where: Base-Base interactions energy: -1239.127 where: short stacking energy: -519.048 Base-Backbone interact. energy: -0.940 local terms energy: -525.279277 where: bonds (distance) C4'-P energy: -89.690 bonds (distance) P-C4' energy: -102.852 flat angles C4'-P-C4' energy: -110.738 flat angles P-C4'-P energy: -77.405 tors. eta vs tors. theta energy: -144.596 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: 5, replica: 3 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1731.781665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.781665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.781665 (E_RNA) where: Base-Base interactions energy: -1202.451 where: short stacking energy: -497.075 Base-Backbone interact. energy: -0.496 local terms energy: -528.834417 where: bonds (distance) C4'-P energy: -90.231 bonds (distance) P-C4' energy: -110.887 flat angles C4'-P-C4' energy: -111.891 flat angles P-C4'-P energy: -77.013 tors. eta vs tors. theta energy: -138.812 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: 5 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1608.455881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.455881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.455881 (E_RNA) where: Base-Base interactions energy: -1119.402 where: short stacking energy: -472.433 Base-Backbone interact. energy: 1.447 local terms energy: -490.500928 where: bonds (distance) C4'-P energy: -78.177 bonds (distance) P-C4' energy: -100.819 flat angles C4'-P-C4' energy: -112.886 flat angles P-C4'-P energy: -77.683 tors. eta vs tors. theta energy: -120.936 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: 6 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1647.156209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.156209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.156209 (E_RNA) where: Base-Base interactions energy: -1137.671 where: short stacking energy: -448.643 Base-Backbone interact. energy: -1.880 local terms energy: -507.605378 where: bonds (distance) C4'-P energy: -93.108 bonds (distance) P-C4' energy: -107.436 flat angles C4'-P-C4' energy: -114.174 flat angles P-C4'-P energy: -73.310 tors. eta vs tors. theta energy: -119.577 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: 8, replica: 7 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -1435.299450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.299450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.299450 (E_RNA) where: Base-Base interactions energy: -959.615 where: short stacking energy: -411.514 Base-Backbone interact. energy: -1.195 local terms energy: -474.489499 where: bonds (distance) C4'-P energy: -93.106 bonds (distance) P-C4' energy: -101.288 flat angles C4'-P-C4' energy: -104.375 flat angles P-C4'-P energy: -65.257 tors. eta vs tors. theta energy: -110.464 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: 9, replica: 9 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -1363.731833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.731833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.731833 (E_RNA) where: Base-Base interactions energy: -915.655 where: short stacking energy: -368.323 Base-Backbone interact. energy: 2.636 local terms energy: -450.712905 where: bonds (distance) C4'-P energy: -86.051 bonds (distance) P-C4' energy: -104.529 flat angles C4'-P-C4' energy: -99.479 flat angles P-C4'-P energy: -63.034 tors. eta vs tors. theta energy: -97.619 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: 10, replica: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -1220.717541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.717541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.717541 (E_RNA) where: Base-Base interactions energy: -815.873 where: short stacking energy: -355.886 Base-Backbone interact. energy: -3.406 local terms energy: -401.438383 where: bonds (distance) C4'-P energy: -85.266 bonds (distance) P-C4' energy: -90.888 flat angles C4'-P-C4' energy: -92.861 flat angles P-C4'-P energy: -57.327 tors. eta vs tors. theta energy: -75.097 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: 1, replica: 8 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1899.190885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.190885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.190885 (E_RNA) where: Base-Base interactions energy: -1324.302 where: short stacking energy: -553.948 Base-Backbone interact. energy: 4.845 local terms energy: -579.733853 where: bonds (distance) C4'-P energy: -102.607 bonds (distance) P-C4' energy: -115.702 flat angles C4'-P-C4' energy: -121.312 flat angles P-C4'-P energy: -84.708 tors. eta vs tors. theta energy: -155.404 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: 2, replica: 1 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1882.908954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.908954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.908954 (E_RNA) where: Base-Base interactions energy: -1304.571 where: short stacking energy: -536.661 Base-Backbone interact. energy: 0.257 local terms energy: -578.594819 where: bonds (distance) C4'-P energy: -106.288 bonds (distance) P-C4' energy: -112.210 flat angles C4'-P-C4' energy: -119.241 flat angles P-C4'-P energy: -84.354 tors. eta vs tors. theta energy: -156.502 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: 3, replica: 2 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1799.283710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.283710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.283710 (E_RNA) where: Base-Base interactions energy: -1264.483 where: short stacking energy: -524.424 Base-Backbone interact. energy: 0.414 local terms energy: -535.214445 where: bonds (distance) C4'-P energy: -92.140 bonds (distance) P-C4' energy: -111.223 flat angles C4'-P-C4' energy: -112.911 flat angles P-C4'-P energy: -74.255 tors. eta vs tors. theta energy: -144.685 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: 4, replica: 4 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1798.440475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.440475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.440475 (E_RNA) where: Base-Base interactions energy: -1237.747 where: short stacking energy: -511.533 Base-Backbone interact. energy: 1.549 local terms energy: -562.242770 where: bonds (distance) C4'-P energy: -98.915 bonds (distance) P-C4' energy: -115.446 flat angles C4'-P-C4' energy: -113.229 flat angles P-C4'-P energy: -83.988 tors. eta vs tors. theta energy: -150.665 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: 3 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1719.663303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.663303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.663303 (E_RNA) where: Base-Base interactions energy: -1203.035 where: short stacking energy: -483.857 Base-Backbone interact. energy: 1.405 local terms energy: -518.033112 where: bonds (distance) C4'-P energy: -92.625 bonds (distance) P-C4' energy: -105.686 flat angles C4'-P-C4' energy: -111.062 flat angles P-C4'-P energy: -74.404 tors. eta vs tors. theta energy: -134.255 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: 6, replica: 5 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1624.509580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.509580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.509580 (E_RNA) where: Base-Base interactions energy: -1126.560 where: short stacking energy: -476.591 Base-Backbone interact. energy: 0.792 local terms energy: -498.741879 where: bonds (distance) C4'-P energy: -89.860 bonds (distance) P-C4' energy: -110.428 flat angles C4'-P-C4' energy: -100.398 flat angles P-C4'-P energy: -76.202 tors. eta vs tors. theta energy: -121.853 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: 7, replica: 6 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1654.265035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.265035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.265035 (E_RNA) where: Base-Base interactions energy: -1150.116 where: short stacking energy: -470.353 Base-Backbone interact. energy: -1.482 local terms energy: -502.666215 where: bonds (distance) C4'-P energy: -78.053 bonds (distance) P-C4' energy: -105.777 flat angles C4'-P-C4' energy: -108.190 flat angles P-C4'-P energy: -72.479 tors. eta vs tors. theta energy: -138.167 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: 8, replica: 7 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -1428.978243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.978243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.978243 (E_RNA) where: Base-Base interactions energy: -982.509 where: short stacking energy: -414.045 Base-Backbone interact. energy: -0.320 local terms energy: -446.149384 where: bonds (distance) C4'-P energy: -78.395 bonds (distance) P-C4' energy: -95.516 flat angles C4'-P-C4' energy: -99.637 flat angles P-C4'-P energy: -68.902 tors. eta vs tors. theta energy: -103.699 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: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -1354.123629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.123629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.123629 (E_RNA) where: Base-Base interactions energy: -915.533 where: short stacking energy: -377.257 Base-Backbone interact. energy: -1.390 local terms energy: -437.200481 where: bonds (distance) C4'-P energy: -88.998 bonds (distance) P-C4' energy: -98.318 flat angles C4'-P-C4' energy: -96.006 flat angles P-C4'-P energy: -65.499 tors. eta vs tors. theta energy: -88.379 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: 10, replica: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -1219.334253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.334253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.334253 (E_RNA) where: Base-Base interactions energy: -799.738 where: short stacking energy: -337.977 Base-Backbone interact. energy: -2.435 local terms energy: -417.161923 where: bonds (distance) C4'-P energy: -89.456 bonds (distance) P-C4' energy: -104.577 flat angles C4'-P-C4' energy: -86.418 flat angles P-C4'-P energy: -68.225 tors. eta vs tors. theta energy: -68.486 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: 8 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1905.730332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.730332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.730332 (E_RNA) where: Base-Base interactions energy: -1316.015 where: short stacking energy: -556.853 Base-Backbone interact. energy: -1.755 local terms energy: -587.960707 where: bonds (distance) C4'-P energy: -101.560 bonds (distance) P-C4' energy: -122.366 flat angles C4'-P-C4' energy: -119.714 flat angles P-C4'-P energy: -84.668 tors. eta vs tors. theta energy: -159.653 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: 1 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1884.719304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.719304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.719304 (E_RNA) where: Base-Base interactions energy: -1318.631 where: short stacking energy: -553.230 Base-Backbone interact. energy: 0.619 local terms energy: -566.706967 where: bonds (distance) C4'-P energy: -103.720 bonds (distance) P-C4' energy: -96.161 flat angles C4'-P-C4' energy: -120.230 flat angles P-C4'-P energy: -87.945 tors. eta vs tors. theta energy: -158.651 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: 3, replica: 2 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1829.370443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.370443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.370443 (E_RNA) where: Base-Base interactions energy: -1307.253 where: short stacking energy: -545.366 Base-Backbone interact. energy: 8.373 local terms energy: -530.490583 where: bonds (distance) C4'-P energy: -87.754 bonds (distance) P-C4' energy: -108.095 flat angles C4'-P-C4' energy: -113.999 flat angles P-C4'-P energy: -72.739 tors. eta vs tors. theta energy: -147.904 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: 4, replica: 4 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1788.680695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.680695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.680695 (E_RNA) where: Base-Base interactions energy: -1250.953 where: short stacking energy: -519.940 Base-Backbone interact. energy: -1.946 local terms energy: -535.781539 where: bonds (distance) C4'-P energy: -100.820 bonds (distance) P-C4' energy: -105.032 flat angles C4'-P-C4' energy: -115.262 flat angles P-C4'-P energy: -71.753 tors. eta vs tors. theta energy: -142.915 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: -1720.847254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.847254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.847254 (E_RNA) where: Base-Base interactions energy: -1215.975 where: short stacking energy: -507.717 Base-Backbone interact. energy: 0.065 local terms energy: -504.937207 where: bonds (distance) C4'-P energy: -88.451 bonds (distance) P-C4' energy: -96.298 flat angles C4'-P-C4' energy: -104.043 flat angles P-C4'-P energy: -73.191 tors. eta vs tors. theta energy: -142.953 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: 5 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1605.233165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.233165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.233165 (E_RNA) where: Base-Base interactions energy: -1100.127 where: short stacking energy: -464.130 Base-Backbone interact. energy: 1.592 local terms energy: -506.697648 where: bonds (distance) C4'-P energy: -88.039 bonds (distance) P-C4' energy: -103.710 flat angles C4'-P-C4' energy: -113.585 flat angles P-C4'-P energy: -75.219 tors. eta vs tors. theta energy: -126.145 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: 6 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1654.992557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.992557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.992557 (E_RNA) where: Base-Base interactions energy: -1161.349 where: short stacking energy: -488.794 Base-Backbone interact. energy: 1.644 local terms energy: -495.286982 where: bonds (distance) C4'-P energy: -91.467 bonds (distance) P-C4' energy: -97.883 flat angles C4'-P-C4' energy: -101.928 flat angles P-C4'-P energy: -70.871 tors. eta vs tors. theta energy: -133.138 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: 8, replica: 9 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -1447.683826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.683826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.683826 (E_RNA) where: Base-Base interactions energy: -1007.673 where: short stacking energy: -424.496 Base-Backbone interact. energy: 1.714 local terms energy: -441.724472 where: bonds (distance) C4'-P energy: -81.553 bonds (distance) P-C4' energy: -100.125 flat angles C4'-P-C4' energy: -97.267 flat angles P-C4'-P energy: -58.911 tors. eta vs tors. theta energy: -103.870 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: 9, replica: 7 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -1376.575462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.575462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.575462 (E_RNA) where: Base-Base interactions energy: -947.984 where: short stacking energy: -385.900 Base-Backbone interact. energy: 0.968 local terms energy: -429.558666 where: bonds (distance) C4'-P energy: -92.177 bonds (distance) P-C4' energy: -99.106 flat angles C4'-P-C4' energy: -84.581 flat angles P-C4'-P energy: -63.700 tors. eta vs tors. theta energy: -89.995 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: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -1229.547349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.547349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.547349 (E_RNA) where: Base-Base interactions energy: -833.061 where: short stacking energy: -355.841 Base-Backbone interact. energy: 1.941 local terms energy: -398.427120 where: bonds (distance) C4'-P energy: -79.155 bonds (distance) P-C4' energy: -92.586 flat angles C4'-P-C4' energy: -84.960 flat angles P-C4'-P energy: -52.998 tors. eta vs tors. theta energy: -88.729 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: 1, replica: 1 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1898.361731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.361731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.361731 (E_RNA) where: Base-Base interactions energy: -1329.972 where: short stacking energy: -550.852 Base-Backbone interact. energy: 0.759 local terms energy: -569.149151 where: bonds (distance) C4'-P energy: -94.867 bonds (distance) P-C4' energy: -116.105 flat angles C4'-P-C4' energy: -114.342 flat angles P-C4'-P energy: -83.963 tors. eta vs tors. theta energy: -159.872 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: 2, replica: 8 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1857.999068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.999068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.999068 (E_RNA) where: Base-Base interactions energy: -1291.196 where: short stacking energy: -537.555 Base-Backbone interact. energy: -2.089 local terms energy: -564.713952 where: bonds (distance) C4'-P energy: -107.024 bonds (distance) P-C4' energy: -112.385 flat angles C4'-P-C4' energy: -109.934 flat angles P-C4'-P energy: -83.367 tors. eta vs tors. theta energy: -152.004 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: 2 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1832.402983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.402983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.402983 (E_RNA) where: Base-Base interactions energy: -1276.131 where: short stacking energy: -539.703 Base-Backbone interact. energy: -2.549 local terms energy: -553.723143 where: bonds (distance) C4'-P energy: -98.170 bonds (distance) P-C4' energy: -113.961 flat angles C4'-P-C4' energy: -120.716 flat angles P-C4'-P energy: -73.705 tors. eta vs tors. theta energy: -147.171 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: 4, replica: 4 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1828.341980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.341980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.341980 (E_RNA) where: Base-Base interactions energy: -1282.346 where: short stacking energy: -550.503 Base-Backbone interact. energy: 2.502 local terms energy: -548.498157 where: bonds (distance) C4'-P energy: -103.308 bonds (distance) P-C4' energy: -102.561 flat angles C4'-P-C4' energy: -114.809 flat angles P-C4'-P energy: -74.143 tors. eta vs tors. theta energy: -153.678 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: 5, replica: 3 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1689.529787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.529787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.529787 (E_RNA) where: Base-Base interactions energy: -1185.815 where: short stacking energy: -502.565 Base-Backbone interact. energy: -0.999 local terms energy: -502.715372 where: bonds (distance) C4'-P energy: -87.593 bonds (distance) P-C4' energy: -104.084 flat angles C4'-P-C4' energy: -104.955 flat angles P-C4'-P energy: -68.055 tors. eta vs tors. theta energy: -138.030 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: 6, replica: 5 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1645.237019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.237019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.237019 (E_RNA) where: Base-Base interactions energy: -1133.959 where: short stacking energy: -477.547 Base-Backbone interact. energy: 4.006 local terms energy: -515.284040 where: bonds (distance) C4'-P energy: -98.108 bonds (distance) P-C4' energy: -103.259 flat angles C4'-P-C4' energy: -92.855 flat angles P-C4'-P energy: -80.931 tors. eta vs tors. theta energy: -140.130 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: 7, replica: 6 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1638.946163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.946163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.946163 (E_RNA) where: Base-Base interactions energy: -1132.896 where: short stacking energy: -464.490 Base-Backbone interact. energy: -0.718 local terms energy: -505.332409 where: bonds (distance) C4'-P energy: -101.529 bonds (distance) P-C4' energy: -105.271 flat angles C4'-P-C4' energy: -101.310 flat angles P-C4'-P energy: -72.972 tors. eta vs tors. theta energy: -124.251 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: 8, replica: 9 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -1422.591591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.591591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.591591 (E_RNA) where: Base-Base interactions energy: -960.283 where: short stacking energy: -409.302 Base-Backbone interact. energy: 0.826 local terms energy: -463.134069 where: bonds (distance) C4'-P energy: -87.501 bonds (distance) P-C4' energy: -94.182 flat angles C4'-P-C4' energy: -111.054 flat angles P-C4'-P energy: -57.857 tors. eta vs tors. theta energy: -112.541 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: 9, replica: 7 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -1356.299746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.299746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.299746 (E_RNA) where: Base-Base interactions energy: -920.977 where: short stacking energy: -397.646 Base-Backbone interact. energy: -0.599 local terms energy: -434.723424 where: bonds (distance) C4'-P energy: -72.721 bonds (distance) P-C4' energy: -99.708 flat angles C4'-P-C4' energy: -98.634 flat angles P-C4'-P energy: -68.238 tors. eta vs tors. theta energy: -95.423 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: 10, replica: 10 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -1283.990714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.990714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.990714 (E_RNA) where: Base-Base interactions energy: -870.238 where: short stacking energy: -371.015 Base-Backbone interact. energy: 1.669 local terms energy: -415.421715 where: bonds (distance) C4'-P energy: -70.831 bonds (distance) P-C4' energy: -108.376 flat angles C4'-P-C4' energy: -86.683 flat angles P-C4'-P energy: -69.415 tors. eta vs tors. theta energy: -80.117 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: 1, replica: 1 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1864.455555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.455555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.455555 (E_RNA) where: Base-Base interactions energy: -1309.575 where: short stacking energy: -538.787 Base-Backbone interact. energy: -0.804 local terms energy: -554.077213 where: bonds (distance) C4'-P energy: -99.848 bonds (distance) P-C4' energy: -106.334 flat angles C4'-P-C4' energy: -112.889 flat angles P-C4'-P energy: -77.810 tors. eta vs tors. theta energy: -157.195 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: 2, replica: 8 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1841.656360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.656360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.656360 (E_RNA) where: Base-Base interactions energy: -1294.299 where: short stacking energy: -543.480 Base-Backbone interact. energy: 0.398 local terms energy: -547.755655 where: bonds (distance) C4'-P energy: -100.018 bonds (distance) P-C4' energy: -108.073 flat angles C4'-P-C4' energy: -110.399 flat angles P-C4'-P energy: -75.661 tors. eta vs tors. theta energy: -153.605 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: 3, replica: 2 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1843.212916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.212916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.212916 (E_RNA) where: Base-Base interactions energy: -1287.811 where: short stacking energy: -537.471 Base-Backbone interact. energy: -2.311 local terms energy: -553.091177 where: bonds (distance) C4'-P energy: -81.664 bonds (distance) P-C4' energy: -117.614 flat angles C4'-P-C4' energy: -119.495 flat angles P-C4'-P energy: -82.483 tors. eta vs tors. theta energy: -151.835 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: 4 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1787.753375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.753375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.753375 (E_RNA) where: Base-Base interactions energy: -1262.205 where: short stacking energy: -533.495 Base-Backbone interact. energy: 1.389 local terms energy: -526.938052 where: bonds (distance) C4'-P energy: -92.552 bonds (distance) P-C4' energy: -93.688 flat angles C4'-P-C4' energy: -115.861 flat angles P-C4'-P energy: -79.718 tors. eta vs tors. theta energy: -145.119 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: 5, replica: 3 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1718.869981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.869981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.869981 (E_RNA) where: Base-Base interactions energy: -1203.863 where: short stacking energy: -507.456 Base-Backbone interact. energy: 4.093 local terms energy: -519.099903 where: bonds (distance) C4'-P energy: -80.617 bonds (distance) P-C4' energy: -110.195 flat angles C4'-P-C4' energy: -110.457 flat angles P-C4'-P energy: -71.950 tors. eta vs tors. theta energy: -145.882 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: 6, replica: 6 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1671.841366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.841366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.841366 (E_RNA) where: Base-Base interactions energy: -1164.974 where: short stacking energy: -465.594 Base-Backbone interact. energy: -2.520 local terms energy: -504.346966 where: bonds (distance) C4'-P energy: -87.309 bonds (distance) P-C4' energy: -109.491 flat angles C4'-P-C4' energy: -103.692 flat angles P-C4'-P energy: -67.515 tors. eta vs tors. theta energy: -136.339 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: 7, replica: 5 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1602.833159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.833159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.833159 (E_RNA) where: Base-Base interactions energy: -1121.593 where: short stacking energy: -450.837 Base-Backbone interact. energy: 0.499 local terms energy: -481.739221 where: bonds (distance) C4'-P energy: -86.541 bonds (distance) P-C4' energy: -105.950 flat angles C4'-P-C4' energy: -92.776 flat angles P-C4'-P energy: -70.983 tors. eta vs tors. theta energy: -125.490 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: 9 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -1464.970465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.970465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.970465 (E_RNA) where: Base-Base interactions energy: -1011.080 where: short stacking energy: -429.178 Base-Backbone interact. energy: -0.956 local terms energy: -452.934447 where: bonds (distance) C4'-P energy: -88.980 bonds (distance) P-C4' energy: -105.368 flat angles C4'-P-C4' energy: -86.368 flat angles P-C4'-P energy: -59.172 tors. eta vs tors. theta energy: -113.047 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: 7 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -1316.972559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.972559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.972559 (E_RNA) where: Base-Base interactions energy: -887.339 where: short stacking energy: -385.674 Base-Backbone interact. energy: 0.527 local terms energy: -430.159657 where: bonds (distance) C4'-P energy: -87.839 bonds (distance) P-C4' energy: -102.506 flat angles C4'-P-C4' energy: -90.045 flat angles P-C4'-P energy: -60.163 tors. eta vs tors. theta energy: -89.607 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: 10 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -1208.739274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.739274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.739274 (E_RNA) where: Base-Base interactions energy: -795.450 where: short stacking energy: -335.250 Base-Backbone interact. energy: 1.015 local terms energy: -414.303815 where: bonds (distance) C4'-P energy: -84.273 bonds (distance) P-C4' energy: -102.009 flat angles C4'-P-C4' energy: -101.985 flat angles P-C4'-P energy: -59.063 tors. eta vs tors. theta energy: -66.973 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: 1, replica: 1 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1878.118270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.118270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.118270 (E_RNA) where: Base-Base interactions energy: -1321.965 where: short stacking energy: -562.367 Base-Backbone interact. energy: 9.317 local terms energy: -565.470268 where: bonds (distance) C4'-P energy: -100.945 bonds (distance) P-C4' energy: -113.226 flat angles C4'-P-C4' energy: -123.156 flat angles P-C4'-P energy: -70.855 tors. eta vs tors. theta energy: -157.287 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: 2, replica: 8 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1827.728074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.728074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.728074 (E_RNA) where: Base-Base interactions energy: -1273.956 where: short stacking energy: -533.872 Base-Backbone interact. energy: 0.243 local terms energy: -554.015865 where: bonds (distance) C4'-P energy: -101.357 bonds (distance) P-C4' energy: -119.364 flat angles C4'-P-C4' energy: -110.759 flat angles P-C4'-P energy: -72.881 tors. eta vs tors. theta energy: -149.655 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: 3, replica: 2 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1832.280319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.280319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.280319 (E_RNA) where: Base-Base interactions energy: -1276.372 where: short stacking energy: -555.424 Base-Backbone interact. energy: -2.524 local terms energy: -553.384545 where: bonds (distance) C4'-P energy: -101.540 bonds (distance) P-C4' energy: -111.667 flat angles C4'-P-C4' energy: -108.761 flat angles P-C4'-P energy: -70.143 tors. eta vs tors. theta energy: -161.274 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: 4, replica: 4 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1787.990578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.990578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.990578 (E_RNA) where: Base-Base interactions energy: -1240.468 where: short stacking energy: -517.188 Base-Backbone interact. energy: -1.127 local terms energy: -546.396350 where: bonds (distance) C4'-P energy: -85.400 bonds (distance) P-C4' energy: -110.048 flat angles C4'-P-C4' energy: -113.379 flat angles P-C4'-P energy: -79.250 tors. eta vs tors. theta energy: -158.319 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: 5, replica: 6 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1713.340668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.340668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.340668 (E_RNA) where: Base-Base interactions energy: -1188.371 where: short stacking energy: -488.135 Base-Backbone interact. energy: 0.179 local terms energy: -525.147913 where: bonds (distance) C4'-P energy: -94.550 bonds (distance) P-C4' energy: -107.017 flat angles C4'-P-C4' energy: -115.168 flat angles P-C4'-P energy: -77.367 tors. eta vs tors. theta energy: -131.046 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: 6, replica: 3 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1675.532088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.532088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.532088 (E_RNA) where: Base-Base interactions energy: -1170.422 where: short stacking energy: -476.697 Base-Backbone interact. energy: 2.693 local terms energy: -507.802825 where: bonds (distance) C4'-P energy: -86.185 bonds (distance) P-C4' energy: -114.765 flat angles C4'-P-C4' energy: -98.963 flat angles P-C4'-P energy: -69.985 tors. eta vs tors. theta energy: -137.904 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: 7, replica: 5 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1585.409424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.409424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.409424 (E_RNA) where: Base-Base interactions energy: -1100.824 where: short stacking energy: -442.309 Base-Backbone interact. energy: -0.371 local terms energy: -484.214012 where: bonds (distance) C4'-P energy: -96.706 bonds (distance) P-C4' energy: -99.275 flat angles C4'-P-C4' energy: -104.447 flat angles P-C4'-P energy: -66.392 tors. eta vs tors. theta energy: -117.394 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: 8, replica: 9 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1440.782205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.782205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.782205 (E_RNA) where: Base-Base interactions energy: -976.408 where: short stacking energy: -401.482 Base-Backbone interact. energy: 2.568 local terms energy: -466.942828 where: bonds (distance) C4'-P energy: -84.975 bonds (distance) P-C4' energy: -110.190 flat angles C4'-P-C4' energy: -100.295 flat angles P-C4'-P energy: -63.984 tors. eta vs tors. theta energy: -107.498 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: 7 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -1325.506307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.506307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.506307 (E_RNA) where: Base-Base interactions energy: -898.490 where: short stacking energy: -405.560 Base-Backbone interact. energy: 1.538 local terms energy: -428.554772 where: bonds (distance) C4'-P energy: -80.359 bonds (distance) P-C4' energy: -97.350 flat angles C4'-P-C4' energy: -90.038 flat angles P-C4'-P energy: -66.669 tors. eta vs tors. theta energy: -94.138 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: 10 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -1221.246111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.246111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.246111 (E_RNA) where: Base-Base interactions energy: -794.764 where: short stacking energy: -333.048 Base-Backbone interact. energy: 1.769 local terms energy: -428.250972 where: bonds (distance) C4'-P energy: -87.053 bonds (distance) P-C4' energy: -107.005 flat angles C4'-P-C4' energy: -98.279 flat angles P-C4'-P energy: -61.684 tors. eta vs tors. theta energy: -74.231 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: 1 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1887.727447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.727447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.727447 (E_RNA) where: Base-Base interactions energy: -1319.835 where: short stacking energy: -548.797 Base-Backbone interact. energy: -2.982 local terms energy: -564.910751 where: bonds (distance) C4'-P energy: -105.119 bonds (distance) P-C4' energy: -116.685 flat angles C4'-P-C4' energy: -120.506 flat angles P-C4'-P energy: -64.337 tors. eta vs tors. theta energy: -158.264 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: 2, replica: 8 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1832.624244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.624244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.624244 (E_RNA) where: Base-Base interactions energy: -1298.963 where: short stacking energy: -537.197 Base-Backbone interact. energy: -0.321 local terms energy: -533.340065 where: bonds (distance) C4'-P energy: -94.958 bonds (distance) P-C4' energy: -104.081 flat angles C4'-P-C4' energy: -109.767 flat angles P-C4'-P energy: -79.987 tors. eta vs tors. theta energy: -144.547 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: 3, replica: 2 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1805.553276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.553276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.553276 (E_RNA) where: Base-Base interactions energy: -1251.765 where: short stacking energy: -516.820 Base-Backbone interact. energy: 0.382 local terms energy: -554.170489 where: bonds (distance) C4'-P energy: -101.921 bonds (distance) P-C4' energy: -100.836 flat angles C4'-P-C4' energy: -115.061 flat angles P-C4'-P energy: -87.286 tors. eta vs tors. theta energy: -149.066 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: 4, replica: 4 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1784.293563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.293563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.293563 (E_RNA) where: Base-Base interactions energy: -1236.089 where: short stacking energy: -505.237 Base-Backbone interact. energy: 2.485 local terms energy: -550.689723 where: bonds (distance) C4'-P energy: -99.366 bonds (distance) P-C4' energy: -112.534 flat angles C4'-P-C4' energy: -107.047 flat angles P-C4'-P energy: -89.621 tors. eta vs tors. theta energy: -142.122 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: 5, replica: 6 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1716.555322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.555322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.555322 (E_RNA) where: Base-Base interactions energy: -1188.915 where: short stacking energy: -492.295 Base-Backbone interact. energy: -2.888 local terms energy: -524.752211 where: bonds (distance) C4'-P energy: -90.984 bonds (distance) P-C4' energy: -108.683 flat angles C4'-P-C4' energy: -120.280 flat angles P-C4'-P energy: -67.816 tors. eta vs tors. theta energy: -136.990 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: 6, replica: 3 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1683.666725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.666725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.666725 (E_RNA) where: Base-Base interactions energy: -1177.837 where: short stacking energy: -485.895 Base-Backbone interact. energy: 5.339 local terms energy: -511.168514 where: bonds (distance) C4'-P energy: -91.392 bonds (distance) P-C4' energy: -105.208 flat angles C4'-P-C4' energy: -108.978 flat angles P-C4'-P energy: -76.615 tors. eta vs tors. theta energy: -128.975 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: 7, replica: 5 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1576.603053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.603053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.603053 (E_RNA) where: Base-Base interactions energy: -1081.599 where: short stacking energy: -432.727 Base-Backbone interact. energy: 2.848 local terms energy: -497.852676 where: bonds (distance) C4'-P energy: -102.456 bonds (distance) P-C4' energy: -103.508 flat angles C4'-P-C4' energy: -102.367 flat angles P-C4'-P energy: -68.420 tors. eta vs tors. theta energy: -121.101 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: 8, replica: 9 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -1392.374314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.374314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.374314 (E_RNA) where: Base-Base interactions energy: -943.801 where: short stacking energy: -375.389 Base-Backbone interact. energy: 0.210 local terms energy: -448.782969 where: bonds (distance) C4'-P energy: -86.962 bonds (distance) P-C4' energy: -93.058 flat angles C4'-P-C4' energy: -105.074 flat angles P-C4'-P energy: -61.439 tors. eta vs tors. theta energy: -102.250 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: 7 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -1271.037133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.037133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.037133 (E_RNA) where: Base-Base interactions energy: -837.053 where: short stacking energy: -362.279 Base-Backbone interact. energy: -2.600 local terms energy: -431.384264 where: bonds (distance) C4'-P energy: -85.706 bonds (distance) P-C4' energy: -115.755 flat angles C4'-P-C4' energy: -89.960 flat angles P-C4'-P energy: -54.672 tors. eta vs tors. theta energy: -85.291 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: 10 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -1240.666471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.666471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.666471 (E_RNA) where: Base-Base interactions energy: -830.694 where: short stacking energy: -370.417 Base-Backbone interact. energy: 3.200 local terms energy: -413.172208 where: bonds (distance) C4'-P energy: -69.663 bonds (distance) P-C4' energy: -90.505 flat angles C4'-P-C4' energy: -97.720 flat angles P-C4'-P energy: -65.459 tors. eta vs tors. theta energy: -89.826 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: 1, replica: 1 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1883.137120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.137120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.137120 (E_RNA) where: Base-Base interactions energy: -1296.839 where: short stacking energy: -544.624 Base-Backbone interact. energy: 1.066 local terms energy: -587.364848 where: bonds (distance) C4'-P energy: -105.072 bonds (distance) P-C4' energy: -122.841 flat angles C4'-P-C4' energy: -114.214 flat angles P-C4'-P energy: -85.893 tors. eta vs tors. theta energy: -159.345 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: 8 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1849.153360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.153360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.153360 (E_RNA) where: Base-Base interactions energy: -1310.251 where: short stacking energy: -547.900 Base-Backbone interact. energy: -0.151 local terms energy: -538.751895 where: bonds (distance) C4'-P energy: -95.412 bonds (distance) P-C4' energy: -105.458 flat angles C4'-P-C4' energy: -111.522 flat angles P-C4'-P energy: -80.235 tors. eta vs tors. theta energy: -146.124 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: 4 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1792.992492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.992492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.992492 (E_RNA) where: Base-Base interactions energy: -1272.521 where: short stacking energy: -520.623 Base-Backbone interact. energy: -2.640 local terms energy: -517.831981 where: bonds (distance) C4'-P energy: -91.483 bonds (distance) P-C4' energy: -108.431 flat angles C4'-P-C4' energy: -112.771 flat angles P-C4'-P energy: -70.608 tors. eta vs tors. theta energy: -134.539 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: 4, replica: 2 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1803.371381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.371381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.371381 (E_RNA) where: Base-Base interactions energy: -1251.447 where: short stacking energy: -536.426 Base-Backbone interact. energy: 4.357 local terms energy: -556.280826 where: bonds (distance) C4'-P energy: -99.779 bonds (distance) P-C4' energy: -104.773 flat angles C4'-P-C4' energy: -114.326 flat angles P-C4'-P energy: -79.505 tors. eta vs tors. theta energy: -157.899 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: 5, replica: 3 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1769.891297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.891297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.891297 (E_RNA) where: Base-Base interactions energy: -1233.163 where: short stacking energy: -508.398 Base-Backbone interact. energy: -1.658 local terms energy: -535.069994 where: bonds (distance) C4'-P energy: -104.042 bonds (distance) P-C4' energy: -102.161 flat angles C4'-P-C4' energy: -113.854 flat angles P-C4'-P energy: -77.479 tors. eta vs tors. theta energy: -137.535 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: 6, replica: 6 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1688.203667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.203667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.203667 (E_RNA) where: Base-Base interactions energy: -1192.580 where: short stacking energy: -489.665 Base-Backbone interact. energy: 0.788 local terms energy: -496.411644 where: bonds (distance) C4'-P energy: -89.498 bonds (distance) P-C4' energy: -107.249 flat angles C4'-P-C4' energy: -112.070 flat angles P-C4'-P energy: -56.165 tors. eta vs tors. theta energy: -131.429 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: 5 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1541.364076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.364076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.364076 (E_RNA) where: Base-Base interactions energy: -1069.515 where: short stacking energy: -445.972 Base-Backbone interact. energy: 1.219 local terms energy: -473.068009 where: bonds (distance) C4'-P energy: -84.789 bonds (distance) P-C4' energy: -99.598 flat angles C4'-P-C4' energy: -111.912 flat angles P-C4'-P energy: -71.931 tors. eta vs tors. theta energy: -104.837 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: 8, replica: 9 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1389.077902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.077902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.077902 (E_RNA) where: Base-Base interactions energy: -943.514 where: short stacking energy: -398.313 Base-Backbone interact. energy: -1.223 local terms energy: -444.341334 where: bonds (distance) C4'-P energy: -94.707 bonds (distance) P-C4' energy: -98.590 flat angles C4'-P-C4' energy: -87.335 flat angles P-C4'-P energy: -56.594 tors. eta vs tors. theta energy: -107.116 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: 9, replica: 7 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -1326.269214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.269214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.269214 (E_RNA) where: Base-Base interactions energy: -903.174 where: short stacking energy: -404.934 Base-Backbone interact. energy: 1.264 local terms energy: -424.359011 where: bonds (distance) C4'-P energy: -75.284 bonds (distance) P-C4' energy: -96.292 flat angles C4'-P-C4' energy: -94.877 flat angles P-C4'-P energy: -60.317 tors. eta vs tors. theta energy: -97.589 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: 10, replica: 10 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -1233.832401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.832401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.832401 (E_RNA) where: Base-Base interactions energy: -838.149 where: short stacking energy: -346.690 Base-Backbone interact. energy: 0.308 local terms energy: -395.991496 where: bonds (distance) C4'-P energy: -72.081 bonds (distance) P-C4' energy: -102.641 flat angles C4'-P-C4' energy: -95.359 flat angles P-C4'-P energy: -53.446 tors. eta vs tors. theta energy: -72.464 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: 1 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1878.420119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.420119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.420119 (E_RNA) where: Base-Base interactions energy: -1309.336 where: short stacking energy: -548.109 Base-Backbone interact. energy: -0.374 local terms energy: -568.710837 where: bonds (distance) C4'-P energy: -98.951 bonds (distance) P-C4' energy: -111.155 flat angles C4'-P-C4' energy: -117.812 flat angles P-C4'-P energy: -84.790 tors. eta vs tors. theta energy: -156.003 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: 2, replica: 8 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1863.837431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.837431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.837431 (E_RNA) where: Base-Base interactions energy: -1286.640 where: short stacking energy: -543.630 Base-Backbone interact. energy: -1.167 local terms energy: -576.030052 where: bonds (distance) C4'-P energy: -100.252 bonds (distance) P-C4' energy: -103.295 flat angles C4'-P-C4' energy: -118.930 flat angles P-C4'-P energy: -95.013 tors. eta vs tors. theta energy: -158.540 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: 4 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1796.983918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.983918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.983918 (E_RNA) where: Base-Base interactions energy: -1273.920 where: short stacking energy: -529.815 Base-Backbone interact. energy: 3.265 local terms energy: -526.328750 where: bonds (distance) C4'-P energy: -94.127 bonds (distance) P-C4' energy: -108.451 flat angles C4'-P-C4' energy: -118.135 flat angles P-C4'-P energy: -62.060 tors. eta vs tors. theta energy: -143.556 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: 3 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1775.869739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.869739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.869739 (E_RNA) where: Base-Base interactions energy: -1256.657 where: short stacking energy: -521.195 Base-Backbone interact. energy: 1.328 local terms energy: -520.540416 where: bonds (distance) C4'-P energy: -83.828 bonds (distance) P-C4' energy: -96.441 flat angles C4'-P-C4' energy: -114.675 flat angles P-C4'-P energy: -80.967 tors. eta vs tors. theta energy: -144.629 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: 5, replica: 2 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1739.260671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.260671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.260671 (E_RNA) where: Base-Base interactions energy: -1219.157 where: short stacking energy: -516.161 Base-Backbone interact. energy: 0.369 local terms energy: -520.472255 where: bonds (distance) C4'-P energy: -91.733 bonds (distance) P-C4' energy: -103.916 flat angles C4'-P-C4' energy: -108.632 flat angles P-C4'-P energy: -69.520 tors. eta vs tors. theta energy: -146.671 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: 6, replica: 6 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1673.124858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.124858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.124858 (E_RNA) where: Base-Base interactions energy: -1162.698 where: short stacking energy: -482.545 Base-Backbone interact. energy: 0.093 local terms energy: -510.519930 where: bonds (distance) C4'-P energy: -95.965 bonds (distance) P-C4' energy: -104.245 flat angles C4'-P-C4' energy: -101.926 flat angles P-C4'-P energy: -72.813 tors. eta vs tors. theta energy: -135.571 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: 7, replica: 5 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1565.652403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.652403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.652403 (E_RNA) where: Base-Base interactions energy: -1081.565 where: short stacking energy: -452.898 Base-Backbone interact. energy: 0.483 local terms energy: -484.569674 where: bonds (distance) C4'-P energy: -89.307 bonds (distance) P-C4' energy: -104.443 flat angles C4'-P-C4' energy: -103.750 flat angles P-C4'-P energy: -67.297 tors. eta vs tors. theta energy: -119.773 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: 8, replica: 9 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1382.730543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.730543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.730543 (E_RNA) where: Base-Base interactions energy: -928.930 where: short stacking energy: -395.669 Base-Backbone interact. energy: -1.413 local terms energy: -452.387526 where: bonds (distance) C4'-P energy: -81.606 bonds (distance) P-C4' energy: -92.806 flat angles C4'-P-C4' energy: -97.848 flat angles P-C4'-P energy: -78.426 tors. eta vs tors. theta energy: -101.702 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: 9, replica: 7 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -1318.961123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.961123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.961123 (E_RNA) where: Base-Base interactions energy: -871.926 where: short stacking energy: -385.431 Base-Backbone interact. energy: 0.625 local terms energy: -447.660174 where: bonds (distance) C4'-P energy: -88.874 bonds (distance) P-C4' energy: -95.997 flat angles C4'-P-C4' energy: -95.183 flat angles P-C4'-P energy: -73.528 tors. eta vs tors. theta energy: -94.078 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: 10 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -1257.809340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.809340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.809340 (E_RNA) where: Base-Base interactions energy: -855.027 where: short stacking energy: -359.601 Base-Backbone interact. energy: 2.592 local terms energy: -405.374408 where: bonds (distance) C4'-P energy: -76.837 bonds (distance) P-C4' energy: -95.645 flat angles C4'-P-C4' energy: -96.642 flat angles P-C4'-P energy: -58.261 tors. eta vs tors. theta energy: -77.990 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: 1, replica: 1 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1878.108050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.108050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.108050 (E_RNA) where: Base-Base interactions energy: -1297.698 where: short stacking energy: -553.519 Base-Backbone interact. energy: -0.403 local terms energy: -580.006286 where: bonds (distance) C4'-P energy: -96.068 bonds (distance) P-C4' energy: -122.151 flat angles C4'-P-C4' energy: -114.160 flat angles P-C4'-P energy: -86.169 tors. eta vs tors. theta energy: -161.458 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: 2, replica: 8 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1849.081742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.081742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.081742 (E_RNA) where: Base-Base interactions energy: -1302.747 where: short stacking energy: -537.287 Base-Backbone interact. energy: 1.636 local terms energy: -547.970771 where: bonds (distance) C4'-P energy: -85.892 bonds (distance) P-C4' energy: -115.929 flat angles C4'-P-C4' energy: -114.848 flat angles P-C4'-P energy: -85.936 tors. eta vs tors. theta energy: -145.366 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: 30 Temperature: 1.000000 Total energy: -1807.175412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.175412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.175412 (E_RNA) where: Base-Base interactions energy: -1264.496 where: short stacking energy: -544.821 Base-Backbone interact. energy: 3.537 local terms energy: -546.216636 where: bonds (distance) C4'-P energy: -92.744 bonds (distance) P-C4' energy: -115.579 flat angles C4'-P-C4' energy: -112.234 flat angles P-C4'-P energy: -75.912 tors. eta vs tors. theta energy: -149.748 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: 4, replica: 3 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1745.496532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.496532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.496532 (E_RNA) where: Base-Base interactions energy: -1230.636 where: short stacking energy: -507.819 Base-Backbone interact. energy: -0.968 local terms energy: -513.892535 where: bonds (distance) C4'-P energy: -95.783 bonds (distance) P-C4' energy: -100.505 flat angles C4'-P-C4' energy: -108.830 flat angles P-C4'-P energy: -64.050 tors. eta vs tors. theta energy: -144.724 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: 5, replica: 2 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1706.293900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.293900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.293900 (E_RNA) where: Base-Base interactions energy: -1192.445 where: short stacking energy: -485.490 Base-Backbone interact. energy: 5.665 local terms energy: -519.514311 where: bonds (distance) C4'-P energy: -91.361 bonds (distance) P-C4' energy: -107.481 flat angles C4'-P-C4' energy: -106.023 flat angles P-C4'-P energy: -73.193 tors. eta vs tors. theta energy: -141.456 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: 6 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1633.569791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.569791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.569791 (E_RNA) where: Base-Base interactions energy: -1126.502 where: short stacking energy: -466.809 Base-Backbone interact. energy: -1.502 local terms energy: -505.566045 where: bonds (distance) C4'-P energy: -101.542 bonds (distance) P-C4' energy: -104.698 flat angles C4'-P-C4' energy: -97.664 flat angles P-C4'-P energy: -74.551 tors. eta vs tors. theta energy: -127.112 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: 7, replica: 5 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1575.890112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.890112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.890112 (E_RNA) where: Base-Base interactions energy: -1083.947 where: short stacking energy: -436.421 Base-Backbone interact. energy: 0.996 local terms energy: -492.939222 where: bonds (distance) C4'-P energy: -93.871 bonds (distance) P-C4' energy: -102.914 flat angles C4'-P-C4' energy: -106.507 flat angles P-C4'-P energy: -69.548 tors. eta vs tors. theta energy: -120.100 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: 8, replica: 9 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1471.595710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.595710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.595710 (E_RNA) where: Base-Base interactions energy: -1008.297 where: short stacking energy: -423.331 Base-Backbone interact. energy: 5.243 local terms energy: -468.541405 where: bonds (distance) C4'-P energy: -88.068 bonds (distance) P-C4' energy: -106.304 flat angles C4'-P-C4' energy: -99.675 flat angles P-C4'-P energy: -63.464 tors. eta vs tors. theta energy: -111.030 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: 9, replica: 7 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -1314.469541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.469541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.469541 (E_RNA) where: Base-Base interactions energy: -909.060 where: short stacking energy: -382.976 Base-Backbone interact. energy: 6.374 local terms energy: -411.784195 where: bonds (distance) C4'-P energy: -86.518 bonds (distance) P-C4' energy: -100.133 flat angles C4'-P-C4' energy: -85.085 flat angles P-C4'-P energy: -59.485 tors. eta vs tors. theta energy: -80.563 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: 10, replica: 10 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -1246.065131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.065131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.065131 (E_RNA) where: Base-Base interactions energy: -831.012 where: short stacking energy: -351.476 Base-Backbone interact. energy: 0.079 local terms energy: -415.131937 where: bonds (distance) C4'-P energy: -84.240 bonds (distance) P-C4' energy: -105.054 flat angles C4'-P-C4' energy: -83.581 flat angles P-C4'-P energy: -67.867 tors. eta vs tors. theta energy: -74.390 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: 1, replica: 1 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1878.650671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.650671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.650671 (E_RNA) where: Base-Base interactions energy: -1300.196 where: short stacking energy: -539.441 Base-Backbone interact. energy: -2.031 local terms energy: -576.423167 where: bonds (distance) C4'-P energy: -97.102 bonds (distance) P-C4' energy: -127.132 flat angles C4'-P-C4' energy: -115.797 flat angles P-C4'-P energy: -79.777 tors. eta vs tors. theta energy: -156.615 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: 8 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1842.407067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.407067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.407067 (E_RNA) where: Base-Base interactions energy: -1285.711 where: short stacking energy: -540.639 Base-Backbone interact. energy: 0.506 local terms energy: -557.202183 where: bonds (distance) C4'-P energy: -96.677 bonds (distance) P-C4' energy: -112.017 flat angles C4'-P-C4' energy: -117.908 flat angles P-C4'-P energy: -82.323 tors. eta vs tors. theta energy: -148.277 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: 3, replica: 4 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1808.683454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.683454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.683454 (E_RNA) where: Base-Base interactions energy: -1256.838 where: short stacking energy: -534.713 Base-Backbone interact. energy: 1.654 local terms energy: -553.499884 where: bonds (distance) C4'-P energy: -94.363 bonds (distance) P-C4' energy: -104.458 flat angles C4'-P-C4' energy: -104.389 flat angles P-C4'-P energy: -90.814 tors. eta vs tors. theta energy: -159.476 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: 4, replica: 3 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1791.820011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.820011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.820011 (E_RNA) where: Base-Base interactions energy: -1252.115 where: short stacking energy: -533.205 Base-Backbone interact. energy: -0.821 local terms energy: -538.883996 where: bonds (distance) C4'-P energy: -94.348 bonds (distance) P-C4' energy: -105.169 flat angles C4'-P-C4' energy: -112.775 flat angles P-C4'-P energy: -75.228 tors. eta vs tors. theta energy: -151.365 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: 5, replica: 2 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1682.256231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.256231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.256231 (E_RNA) where: Base-Base interactions energy: -1189.801 where: short stacking energy: -496.473 Base-Backbone interact. energy: -0.098 local terms energy: -492.357744 where: bonds (distance) C4'-P energy: -86.388 bonds (distance) P-C4' energy: -94.190 flat angles C4'-P-C4' energy: -114.079 flat angles P-C4'-P energy: -65.508 tors. eta vs tors. theta energy: -132.193 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: 6, replica: 6 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1657.006381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.006381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.006381 (E_RNA) where: Base-Base interactions energy: -1179.301 where: short stacking energy: -470.301 Base-Backbone interact. energy: 3.140 local terms energy: -480.844852 where: bonds (distance) C4'-P energy: -80.057 bonds (distance) P-C4' energy: -98.972 flat angles C4'-P-C4' energy: -108.519 flat angles P-C4'-P energy: -72.309 tors. eta vs tors. theta energy: -120.987 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: 7, replica: 5 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1580.909119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.909119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.909119 (E_RNA) where: Base-Base interactions energy: -1103.083 where: short stacking energy: -457.345 Base-Backbone interact. energy: -0.501 local terms energy: -477.325475 where: bonds (distance) C4'-P energy: -81.024 bonds (distance) P-C4' energy: -93.403 flat angles C4'-P-C4' energy: -104.928 flat angles P-C4'-P energy: -77.708 tors. eta vs tors. theta energy: -120.262 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: 8, replica: 9 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1459.661967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.661967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.661967 (E_RNA) where: Base-Base interactions energy: -988.306 where: short stacking energy: -409.678 Base-Backbone interact. energy: -1.963 local terms energy: -469.392844 where: bonds (distance) C4'-P energy: -91.988 bonds (distance) P-C4' energy: -103.152 flat angles C4'-P-C4' energy: -102.725 flat angles P-C4'-P energy: -70.040 tors. eta vs tors. theta energy: -101.487 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: 7 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -1316.067449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.067449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.067449 (E_RNA) where: Base-Base interactions energy: -874.673 where: short stacking energy: -353.394 Base-Backbone interact. energy: 1.771 local terms energy: -443.165310 where: bonds (distance) C4'-P energy: -77.998 bonds (distance) P-C4' energy: -106.488 flat angles C4'-P-C4' energy: -103.126 flat angles P-C4'-P energy: -72.152 tors. eta vs tors. theta energy: -83.401 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: 10, replica: 10 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -1232.002629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.002629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.002629 (E_RNA) where: Base-Base interactions energy: -845.162 where: short stacking energy: -347.627 Base-Backbone interact. energy: 1.500 local terms energy: -388.340142 where: bonds (distance) C4'-P energy: -77.715 bonds (distance) P-C4' energy: -94.942 flat angles C4'-P-C4' energy: -81.915 flat angles P-C4'-P energy: -54.071 tors. eta vs tors. theta energy: -79.697 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: 1, replica: 1 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1876.558692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.558692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.558692 (E_RNA) where: Base-Base interactions energy: -1325.902 where: short stacking energy: -539.600 Base-Backbone interact. energy: -1.688 local terms energy: -548.968664 where: bonds (distance) C4'-P energy: -88.347 bonds (distance) P-C4' energy: -122.239 flat angles C4'-P-C4' energy: -124.119 flat angles P-C4'-P energy: -67.942 tors. eta vs tors. theta energy: -146.321 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: 8 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1870.266340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.266340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.266340 (E_RNA) where: Base-Base interactions energy: -1315.030 where: short stacking energy: -555.743 Base-Backbone interact. energy: -0.592 local terms energy: -554.643584 where: bonds (distance) C4'-P energy: -87.823 bonds (distance) P-C4' energy: -111.027 flat angles C4'-P-C4' energy: -122.985 flat angles P-C4'-P energy: -74.186 tors. eta vs tors. theta energy: -158.622 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: 3, replica: 4 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1823.803867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.803867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.803867 (E_RNA) where: Base-Base interactions energy: -1292.061 where: short stacking energy: -535.423 Base-Backbone interact. energy: 1.132 local terms energy: -532.875161 where: bonds (distance) C4'-P energy: -90.395 bonds (distance) P-C4' energy: -105.539 flat angles C4'-P-C4' energy: -119.995 flat angles P-C4'-P energy: -74.537 tors. eta vs tors. theta energy: -142.409 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: 3 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1785.755162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.755162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.755162 (E_RNA) where: Base-Base interactions energy: -1249.022 where: short stacking energy: -522.448 Base-Backbone interact. energy: -0.944 local terms energy: -535.788784 where: bonds (distance) C4'-P energy: -89.196 bonds (distance) P-C4' energy: -107.132 flat angles C4'-P-C4' energy: -111.008 flat angles P-C4'-P energy: -83.061 tors. eta vs tors. theta energy: -145.392 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: 5, replica: 6 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1689.078447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.078447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.078447 (E_RNA) where: Base-Base interactions energy: -1177.376 where: short stacking energy: -497.616 Base-Backbone interact. energy: 0.833 local terms energy: -512.534903 where: bonds (distance) C4'-P energy: -86.964 bonds (distance) P-C4' energy: -105.891 flat angles C4'-P-C4' energy: -112.680 flat angles P-C4'-P energy: -71.675 tors. eta vs tors. theta energy: -135.325 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: 6, replica: 2 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1677.742975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.742975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.742975 (E_RNA) where: Base-Base interactions energy: -1168.072 where: short stacking energy: -487.237 Base-Backbone interact. energy: 2.794 local terms energy: -512.464762 where: bonds (distance) C4'-P energy: -87.233 bonds (distance) P-C4' energy: -102.812 flat angles C4'-P-C4' energy: -108.988 flat angles P-C4'-P energy: -68.812 tors. eta vs tors. theta energy: -144.619 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: 7, replica: 5 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1535.983135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.983135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.983135 (E_RNA) where: Base-Base interactions energy: -1074.528 where: short stacking energy: -453.643 Base-Backbone interact. energy: -1.123 local terms energy: -460.331883 where: bonds (distance) C4'-P energy: -81.668 bonds (distance) P-C4' energy: -98.114 flat angles C4'-P-C4' energy: -103.999 flat angles P-C4'-P energy: -66.516 tors. eta vs tors. theta energy: -110.035 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: 9 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1476.352782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.352782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.352782 (E_RNA) where: Base-Base interactions energy: -1000.384 where: short stacking energy: -435.014 Base-Backbone interact. energy: 2.341 local terms energy: -478.309437 where: bonds (distance) C4'-P energy: -87.481 bonds (distance) P-C4' energy: -96.614 flat angles C4'-P-C4' energy: -106.236 flat angles P-C4'-P energy: -70.573 tors. eta vs tors. theta energy: -117.405 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: 10 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -1238.623041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.623041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.623041 (E_RNA) where: Base-Base interactions energy: -827.631 where: short stacking energy: -380.336 Base-Backbone interact. energy: 2.801 local terms energy: -413.792810 where: bonds (distance) C4'-P energy: -80.199 bonds (distance) P-C4' energy: -99.759 flat angles C4'-P-C4' energy: -101.721 flat angles P-C4'-P energy: -53.511 tors. eta vs tors. theta energy: -78.602 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: 10, replica: 7 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -1267.997492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.997492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.997492 (E_RNA) where: Base-Base interactions energy: -853.693 where: short stacking energy: -363.113 Base-Backbone interact. energy: 4.735 local terms energy: -419.039785 where: bonds (distance) C4'-P energy: -81.348 bonds (distance) P-C4' energy: -111.082 flat angles C4'-P-C4' energy: -91.319 flat angles P-C4'-P energy: -56.421 tors. eta vs tors. theta energy: -78.869 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: 1, replica: 1 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1855.065309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.065309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.065309 (E_RNA) where: Base-Base interactions energy: -1290.935 where: short stacking energy: -535.809 Base-Backbone interact. energy: -1.456 local terms energy: -562.673995 where: bonds (distance) C4'-P energy: -100.502 bonds (distance) P-C4' energy: -106.707 flat angles C4'-P-C4' energy: -116.849 flat angles P-C4'-P energy: -88.299 tors. eta vs tors. theta energy: -150.317 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: 4 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1860.192446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.192446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.192446 (E_RNA) where: Base-Base interactions energy: -1306.930 where: short stacking energy: -545.242 Base-Backbone interact. energy: 1.394 local terms energy: -554.656275 where: bonds (distance) C4'-P energy: -85.865 bonds (distance) P-C4' energy: -118.080 flat angles C4'-P-C4' energy: -117.539 flat angles P-C4'-P energy: -83.326 tors. eta vs tors. theta energy: -149.846 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: 3, replica: 8 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1817.332521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.332521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.332521 (E_RNA) where: Base-Base interactions energy: -1293.874 where: short stacking energy: -531.525 Base-Backbone interact. energy: 6.231 local terms energy: -529.689395 where: bonds (distance) C4'-P energy: -76.745 bonds (distance) P-C4' energy: -119.571 flat angles C4'-P-C4' energy: -103.412 flat angles P-C4'-P energy: -74.615 tors. eta vs tors. theta energy: -155.347 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: 4, replica: 3 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1777.497335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.497335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.497335 (E_RNA) where: Base-Base interactions energy: -1242.457 where: short stacking energy: -495.249 Base-Backbone interact. energy: -1.688 local terms energy: -533.352949 where: bonds (distance) C4'-P energy: -97.367 bonds (distance) P-C4' energy: -102.211 flat angles C4'-P-C4' energy: -112.033 flat angles P-C4'-P energy: -79.211 tors. eta vs tors. theta energy: -142.532 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: 5, replica: 6 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1700.593174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.593174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.593174 (E_RNA) where: Base-Base interactions energy: -1195.883 where: short stacking energy: -467.049 Base-Backbone interact. energy: 0.555 local terms energy: -505.264841 where: bonds (distance) C4'-P energy: -96.042 bonds (distance) P-C4' energy: -112.756 flat angles C4'-P-C4' energy: -107.090 flat angles P-C4'-P energy: -66.654 tors. eta vs tors. theta energy: -122.724 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: 6, replica: 2 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1684.022530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.022530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.022530 (E_RNA) where: Base-Base interactions energy: -1175.890 where: short stacking energy: -506.414 Base-Backbone interact. energy: 3.172 local terms energy: -511.304835 where: bonds (distance) C4'-P energy: -94.125 bonds (distance) P-C4' energy: -104.147 flat angles C4'-P-C4' energy: -108.522 flat angles P-C4'-P energy: -64.214 tors. eta vs tors. theta energy: -140.297 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: 7, replica: 5 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1509.655580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.655580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.655580 (E_RNA) where: Base-Base interactions energy: -1055.602 where: short stacking energy: -426.777 Base-Backbone interact. energy: -0.653 local terms energy: -453.400033 where: bonds (distance) C4'-P energy: -85.383 bonds (distance) P-C4' energy: -97.168 flat angles C4'-P-C4' energy: -97.611 flat angles P-C4'-P energy: -61.732 tors. eta vs tors. theta energy: -111.506 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: 8, replica: 9 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1459.959510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.959510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.959510 (E_RNA) where: Base-Base interactions energy: -1009.379 where: short stacking energy: -408.593 Base-Backbone interact. energy: 0.320 local terms energy: -450.900415 where: bonds (distance) C4'-P energy: -87.214 bonds (distance) P-C4' energy: -98.302 flat angles C4'-P-C4' energy: -103.113 flat angles P-C4'-P energy: -59.572 tors. eta vs tors. theta energy: -102.699 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: 10 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -1285.803022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.803022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.803022 (E_RNA) where: Base-Base interactions energy: -850.666 where: short stacking energy: -380.428 Base-Backbone interact. energy: -1.235 local terms energy: -433.902313 where: bonds (distance) C4'-P energy: -87.016 bonds (distance) P-C4' energy: -100.923 flat angles C4'-P-C4' energy: -92.993 flat angles P-C4'-P energy: -67.911 tors. eta vs tors. theta energy: -85.059 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: 10, replica: 7 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -1281.586666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.586666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.586666 (E_RNA) where: Base-Base interactions energy: -868.037 where: short stacking energy: -365.635 Base-Backbone interact. energy: 0.881 local terms energy: -414.431377 where: bonds (distance) C4'-P energy: -70.588 bonds (distance) P-C4' energy: -111.527 flat angles C4'-P-C4' energy: -100.052 flat angles P-C4'-P energy: -53.203 tors. eta vs tors. theta energy: -79.062 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: 1, replica: 4 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1902.643617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.643617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.643617 (E_RNA) where: Base-Base interactions energy: -1333.172 where: short stacking energy: -556.409 Base-Backbone interact. energy: -0.291 local terms energy: -569.180483 where: bonds (distance) C4'-P energy: -100.292 bonds (distance) P-C4' energy: -106.266 flat angles C4'-P-C4' energy: -122.350 flat angles P-C4'-P energy: -83.217 tors. eta vs tors. theta energy: -157.056 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: 2, replica: 1 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1843.232216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.232216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.232216 (E_RNA) where: Base-Base interactions energy: -1281.755 where: short stacking energy: -515.010 Base-Backbone interact. energy: -1.200 local terms energy: -560.277192 where: bonds (distance) C4'-P energy: -90.202 bonds (distance) P-C4' energy: -121.214 flat angles C4'-P-C4' energy: -121.049 flat angles P-C4'-P energy: -78.320 tors. eta vs tors. theta energy: -149.492 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: 8 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1831.636190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.636190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.636190 (E_RNA) where: Base-Base interactions energy: -1274.292 where: short stacking energy: -526.595 Base-Backbone interact. energy: -0.578 local terms energy: -556.766852 where: bonds (distance) C4'-P energy: -99.711 bonds (distance) P-C4' energy: -108.623 flat angles C4'-P-C4' energy: -115.864 flat angles P-C4'-P energy: -82.099 tors. eta vs tors. theta energy: -150.470 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: 3 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1776.299286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.299286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.299286 (E_RNA) where: Base-Base interactions energy: -1250.695 where: short stacking energy: -521.098 Base-Backbone interact. energy: 7.138 local terms energy: -532.742209 where: bonds (distance) C4'-P energy: -90.940 bonds (distance) P-C4' energy: -109.876 flat angles C4'-P-C4' energy: -114.114 flat angles P-C4'-P energy: -78.791 tors. eta vs tors. theta energy: -139.020 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: 5, replica: 2 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1694.051134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.051134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.051134 (E_RNA) where: Base-Base interactions energy: -1173.068 where: short stacking energy: -485.585 Base-Backbone interact. energy: 1.227 local terms energy: -522.210062 where: bonds (distance) C4'-P energy: -87.358 bonds (distance) P-C4' energy: -118.363 flat angles C4'-P-C4' energy: -109.813 flat angles P-C4'-P energy: -64.649 tors. eta vs tors. theta energy: -142.027 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: 6, replica: 6 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1659.538433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.538433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.538433 (E_RNA) where: Base-Base interactions energy: -1146.140 where: short stacking energy: -473.267 Base-Backbone interact. energy: 1.684 local terms energy: -515.082994 where: bonds (distance) C4'-P energy: -93.529 bonds (distance) P-C4' energy: -116.518 flat angles C4'-P-C4' energy: -115.512 flat angles P-C4'-P energy: -67.820 tors. eta vs tors. theta energy: -121.704 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: 5 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1540.280423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.280423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.280423 (E_RNA) where: Base-Base interactions energy: -1067.289 where: short stacking energy: -442.662 Base-Backbone interact. energy: 0.432 local terms energy: -473.423422 where: bonds (distance) C4'-P energy: -88.058 bonds (distance) P-C4' energy: -107.443 flat angles C4'-P-C4' energy: -94.581 flat angles P-C4'-P energy: -69.556 tors. eta vs tors. theta energy: -113.786 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: 8, replica: 9 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1390.473891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.473891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.473891 (E_RNA) where: Base-Base interactions energy: -941.503 where: short stacking energy: -412.519 Base-Backbone interact. energy: 1.295 local terms energy: -450.265560 where: bonds (distance) C4'-P energy: -96.643 bonds (distance) P-C4' energy: -99.252 flat angles C4'-P-C4' energy: -96.669 flat angles P-C4'-P energy: -60.900 tors. eta vs tors. theta energy: -96.802 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: 7 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -1306.909610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.909610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.909610 (E_RNA) where: Base-Base interactions energy: -872.493 where: short stacking energy: -373.708 Base-Backbone interact. energy: 1.172 local terms energy: -435.588736 where: bonds (distance) C4'-P energy: -80.349 bonds (distance) P-C4' energy: -102.269 flat angles C4'-P-C4' energy: -97.101 flat angles P-C4'-P energy: -66.131 tors. eta vs tors. theta energy: -89.739 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: 10, replica: 10 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -1228.507823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.507823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.507823 (E_RNA) where: Base-Base interactions energy: -826.321 where: short stacking energy: -370.632 Base-Backbone interact. energy: 4.085 local terms energy: -406.271541 where: bonds (distance) C4'-P energy: -97.525 bonds (distance) P-C4' energy: -99.730 flat angles C4'-P-C4' energy: -78.302 flat angles P-C4'-P energy: -53.132 tors. eta vs tors. theta energy: -77.582 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: 4 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1910.696991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.696991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.696991 (E_RNA) where: Base-Base interactions energy: -1332.978 where: short stacking energy: -558.104 Base-Backbone interact. energy: -0.910 local terms energy: -576.809145 where: bonds (distance) C4'-P energy: -101.210 bonds (distance) P-C4' energy: -110.876 flat angles C4'-P-C4' energy: -119.077 flat angles P-C4'-P energy: -83.428 tors. eta vs tors. theta energy: -162.218 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: 2, replica: 1 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1851.001368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.001368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.001368 (E_RNA) where: Base-Base interactions energy: -1282.526 where: short stacking energy: -541.941 Base-Backbone interact. energy: 2.562 local terms energy: -571.037778 where: bonds (distance) C4'-P energy: -106.138 bonds (distance) P-C4' energy: -110.107 flat angles C4'-P-C4' energy: -120.541 flat angles P-C4'-P energy: -86.128 tors. eta vs tors. theta energy: -148.124 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: 8 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1808.223231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.223231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.223231 (E_RNA) where: Base-Base interactions energy: -1224.533 where: short stacking energy: -505.835 Base-Backbone interact. energy: -0.749 local terms energy: -582.941513 where: bonds (distance) C4'-P energy: -108.008 bonds (distance) P-C4' energy: -118.968 flat angles C4'-P-C4' energy: -115.564 flat angles P-C4'-P energy: -91.698 tors. eta vs tors. theta energy: -148.704 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: 3 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1796.521564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.521564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.521564 (E_RNA) where: Base-Base interactions energy: -1249.978 where: short stacking energy: -523.840 Base-Backbone interact. energy: -1.023 local terms energy: -545.520702 where: bonds (distance) C4'-P energy: -105.600 bonds (distance) P-C4' energy: -101.406 flat angles C4'-P-C4' energy: -116.147 flat angles P-C4'-P energy: -78.997 tors. eta vs tors. theta energy: -143.372 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: 5, replica: 2 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1707.928629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.928629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.928629 (E_RNA) where: Base-Base interactions energy: -1201.184 where: short stacking energy: -516.991 Base-Backbone interact. energy: 0.039 local terms energy: -506.783592 where: bonds (distance) C4'-P energy: -88.905 bonds (distance) P-C4' energy: -90.094 flat angles C4'-P-C4' energy: -103.175 flat angles P-C4'-P energy: -81.030 tors. eta vs tors. theta energy: -143.579 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: 6 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1595.610680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.610680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.610680 (E_RNA) where: Base-Base interactions energy: -1109.651 where: short stacking energy: -456.486 Base-Backbone interact. energy: 0.872 local terms energy: -486.831882 where: bonds (distance) C4'-P energy: -85.024 bonds (distance) P-C4' energy: -98.886 flat angles C4'-P-C4' energy: -108.007 flat angles P-C4'-P energy: -66.894 tors. eta vs tors. theta energy: -128.021 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: 7, replica: 5 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1575.130215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.130215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.130215 (E_RNA) where: Base-Base interactions energy: -1068.422 where: short stacking energy: -445.908 Base-Backbone interact. energy: -1.547 local terms energy: -505.161175 where: bonds (distance) C4'-P energy: -92.956 bonds (distance) P-C4' energy: -119.093 flat angles C4'-P-C4' energy: -99.085 flat angles P-C4'-P energy: -74.645 tors. eta vs tors. theta energy: -119.382 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: 9 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1376.338316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.338316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.338316 (E_RNA) where: Base-Base interactions energy: -929.583 where: short stacking energy: -386.662 Base-Backbone interact. energy: -1.517 local terms energy: -445.238432 where: bonds (distance) C4'-P energy: -83.140 bonds (distance) P-C4' energy: -110.271 flat angles C4'-P-C4' energy: -97.699 flat angles P-C4'-P energy: -62.385 tors. eta vs tors. theta energy: -91.744 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: 7 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -1275.571828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.571828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.571828 (E_RNA) where: Base-Base interactions energy: -827.795 where: short stacking energy: -367.021 Base-Backbone interact. energy: 1.427 local terms energy: -449.204287 where: bonds (distance) C4'-P energy: -87.858 bonds (distance) P-C4' energy: -113.197 flat angles C4'-P-C4' energy: -95.369 flat angles P-C4'-P energy: -61.491 tors. eta vs tors. theta energy: -91.290 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: 10, replica: 10 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -1217.666783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.666783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.666783 (E_RNA) where: Base-Base interactions energy: -830.085 where: short stacking energy: -333.073 Base-Backbone interact. energy: -1.261 local terms energy: -386.320350 where: bonds (distance) C4'-P energy: -79.259 bonds (distance) P-C4' energy: -89.952 flat angles C4'-P-C4' energy: -87.924 flat angles P-C4'-P energy: -61.790 tors. eta vs tors. theta energy: -67.395 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: 1, replica: 4 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1906.003708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.003708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.003708 (E_RNA) where: Base-Base interactions energy: -1332.524 where: short stacking energy: -553.810 Base-Backbone interact. energy: -1.285 local terms energy: -572.195366 where: bonds (distance) C4'-P energy: -96.374 bonds (distance) P-C4' energy: -110.159 flat angles C4'-P-C4' energy: -118.604 flat angles P-C4'-P energy: -85.954 tors. eta vs tors. theta energy: -161.104 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: 2, replica: 1 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1846.145876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.145876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.145876 (E_RNA) where: Base-Base interactions energy: -1290.047 where: short stacking energy: -548.716 Base-Backbone interact. energy: 5.618 local terms energy: -561.716746 where: bonds (distance) C4'-P energy: -101.002 bonds (distance) P-C4' energy: -117.836 flat angles C4'-P-C4' energy: -110.181 flat angles P-C4'-P energy: -85.626 tors. eta vs tors. theta energy: -147.071 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: 3, replica: 8 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1817.600100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.600100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.600100 (E_RNA) where: Base-Base interactions energy: -1287.605 where: short stacking energy: -553.956 Base-Backbone interact. energy: -1.139 local terms energy: -528.855592 where: bonds (distance) C4'-P energy: -88.074 bonds (distance) P-C4' energy: -102.233 flat angles C4'-P-C4' energy: -118.474 flat angles P-C4'-P energy: -72.666 tors. eta vs tors. theta energy: -147.409 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: 3 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1795.342870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.342870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.342870 (E_RNA) where: Base-Base interactions energy: -1263.243 where: short stacking energy: -521.281 Base-Backbone interact. energy: -1.442 local terms energy: -530.658198 where: bonds (distance) C4'-P energy: -87.958 bonds (distance) P-C4' energy: -102.588 flat angles C4'-P-C4' energy: -117.201 flat angles P-C4'-P energy: -82.077 tors. eta vs tors. theta energy: -140.834 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: 5, replica: 2 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1717.135639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.135639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.135639 (E_RNA) where: Base-Base interactions energy: -1182.406 where: short stacking energy: -496.134 Base-Backbone interact. energy: -1.420 local terms energy: -533.310538 where: bonds (distance) C4'-P energy: -97.907 bonds (distance) P-C4' energy: -111.046 flat angles C4'-P-C4' energy: -107.929 flat angles P-C4'-P energy: -79.163 tors. eta vs tors. theta energy: -137.266 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: 6, replica: 6 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1640.609754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.609754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.609754 (E_RNA) where: Base-Base interactions energy: -1151.591 where: short stacking energy: -460.229 Base-Backbone interact. energy: -1.702 local terms energy: -487.315856 where: bonds (distance) C4'-P energy: -85.801 bonds (distance) P-C4' energy: -99.968 flat angles C4'-P-C4' energy: -104.766 flat angles P-C4'-P energy: -74.493 tors. eta vs tors. theta energy: -122.288 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: 7, replica: 5 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1552.177746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.177746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.177746 (E_RNA) where: Base-Base interactions energy: -1079.268 where: short stacking energy: -460.041 Base-Backbone interact. energy: -0.589 local terms energy: -472.320347 where: bonds (distance) C4'-P energy: -93.365 bonds (distance) P-C4' energy: -101.825 flat angles C4'-P-C4' energy: -98.156 flat angles P-C4'-P energy: -62.676 tors. eta vs tors. theta energy: -116.298 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: 9 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1375.330684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.330684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.330684 (E_RNA) where: Base-Base interactions energy: -927.226 where: short stacking energy: -402.665 Base-Backbone interact. energy: -1.066 local terms energy: -447.038589 where: bonds (distance) C4'-P energy: -93.442 bonds (distance) P-C4' energy: -92.559 flat angles C4'-P-C4' energy: -106.577 flat angles P-C4'-P energy: -54.336 tors. eta vs tors. theta energy: -100.124 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: 10 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -1267.827930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.827930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.827930 (E_RNA) where: Base-Base interactions energy: -838.547 where: short stacking energy: -368.984 Base-Backbone interact. energy: 0.380 local terms energy: -429.661127 where: bonds (distance) C4'-P energy: -84.601 bonds (distance) P-C4' energy: -101.101 flat angles C4'-P-C4' energy: -98.907 flat angles P-C4'-P energy: -70.378 tors. eta vs tors. theta energy: -74.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -1258.291206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.291206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.291206 (E_RNA) where: Base-Base interactions energy: -837.042 where: short stacking energy: -350.618 Base-Backbone interact. energy: 1.591 local terms energy: -422.839882 where: bonds (distance) C4'-P energy: -81.594 bonds (distance) P-C4' energy: -109.861 flat angles C4'-P-C4' energy: -90.635 flat angles P-C4'-P energy: -56.543 tors. eta vs tors. theta energy: -84.207 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: 4 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1892.660629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.660629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.660629 (E_RNA) where: Base-Base interactions energy: -1343.759 where: short stacking energy: -564.410 Base-Backbone interact. energy: 1.687 local terms energy: -550.589014 where: bonds (distance) C4'-P energy: -90.443 bonds (distance) P-C4' energy: -108.861 flat angles C4'-P-C4' energy: -113.808 flat angles P-C4'-P energy: -80.314 tors. eta vs tors. theta energy: -157.163 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: 1 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1843.059356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.059356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.059356 (E_RNA) where: Base-Base interactions energy: -1294.572 where: short stacking energy: -534.578 Base-Backbone interact. energy: 1.835 local terms energy: -550.322067 where: bonds (distance) C4'-P energy: -99.907 bonds (distance) P-C4' energy: -111.524 flat angles C4'-P-C4' energy: -115.406 flat angles P-C4'-P energy: -83.415 tors. eta vs tors. theta energy: -140.071 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: 3, replica: 8 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1802.353084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.353084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.353084 (E_RNA) where: Base-Base interactions energy: -1270.212 where: short stacking energy: -518.869 Base-Backbone interact. energy: -0.530 local terms energy: -531.611090 where: bonds (distance) C4'-P energy: -92.502 bonds (distance) P-C4' energy: -107.587 flat angles C4'-P-C4' energy: -117.149 flat angles P-C4'-P energy: -76.195 tors. eta vs tors. theta energy: -138.178 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: 3 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1793.499733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.499733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.499733 (E_RNA) where: Base-Base interactions energy: -1255.392 where: short stacking energy: -508.585 Base-Backbone interact. energy: -0.909 local terms energy: -537.198758 where: bonds (distance) C4'-P energy: -94.805 bonds (distance) P-C4' energy: -101.152 flat angles C4'-P-C4' energy: -113.026 flat angles P-C4'-P energy: -84.977 tors. eta vs tors. theta energy: -143.239 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: 5, replica: 2 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1753.587854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.587854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.587854 (E_RNA) where: Base-Base interactions energy: -1198.275 where: short stacking energy: -513.232 Base-Backbone interact. energy: -1.557 local terms energy: -553.755130 where: bonds (distance) C4'-P energy: -90.213 bonds (distance) P-C4' energy: -111.323 flat angles C4'-P-C4' energy: -124.315 flat angles P-C4'-P energy: -75.984 tors. eta vs tors. theta energy: -151.920 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: 6, replica: 6 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1588.939772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.939772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.939772 (E_RNA) where: Base-Base interactions energy: -1102.087 where: short stacking energy: -463.765 Base-Backbone interact. energy: 1.845 local terms energy: -488.697501 where: bonds (distance) C4'-P energy: -90.320 bonds (distance) P-C4' energy: -99.037 flat angles C4'-P-C4' energy: -104.782 flat angles P-C4'-P energy: -64.840 tors. eta vs tors. theta energy: -129.718 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: 7, replica: 5 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1562.351665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.351665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.351665 (E_RNA) where: Base-Base interactions energy: -1077.802 where: short stacking energy: -451.285 Base-Backbone interact. energy: -0.883 local terms energy: -483.666903 where: bonds (distance) C4'-P energy: -94.423 bonds (distance) P-C4' energy: -109.011 flat angles C4'-P-C4' energy: -100.726 flat angles P-C4'-P energy: -58.786 tors. eta vs tors. theta energy: -120.721 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: 8, replica: 9 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1404.774198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.774198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.774198 (E_RNA) where: Base-Base interactions energy: -976.108 where: short stacking energy: -399.874 Base-Backbone interact. energy: 2.410 local terms energy: -431.075641 where: bonds (distance) C4'-P energy: -70.953 bonds (distance) P-C4' energy: -88.049 flat angles C4'-P-C4' energy: -101.687 flat angles P-C4'-P energy: -65.933 tors. eta vs tors. theta energy: -104.454 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: 37 Temperature: 1.300000 Total energy: -1232.692703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.692703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.692703 (E_RNA) where: Base-Base interactions energy: -825.949 where: short stacking energy: -371.520 Base-Backbone interact. energy: 0.426 local terms energy: -407.169906 where: bonds (distance) C4'-P energy: -89.396 bonds (distance) P-C4' energy: -88.287 flat angles C4'-P-C4' energy: -94.154 flat angles P-C4'-P energy: -52.639 tors. eta vs tors. theta energy: -82.694 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: 10, replica: 7 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -1232.260211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.260211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.260211 (E_RNA) where: Base-Base interactions energy: -813.261 where: short stacking energy: -353.941 Base-Backbone interact. energy: 3.765 local terms energy: -422.765157 where: bonds (distance) C4'-P energy: -82.518 bonds (distance) P-C4' energy: -103.435 flat angles C4'-P-C4' energy: -96.702 flat angles P-C4'-P energy: -62.369 tors. eta vs tors. theta energy: -77.742 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: 38 Temperature: 0.900000 Total energy: -1912.104306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.104306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.104306 (E_RNA) where: Base-Base interactions energy: -1341.908 where: short stacking energy: -567.240 Base-Backbone interact. energy: -2.233 local terms energy: -567.963466 where: bonds (distance) C4'-P energy: -101.560 bonds (distance) P-C4' energy: -110.664 flat angles C4'-P-C4' energy: -117.447 flat angles P-C4'-P energy: -79.180 tors. eta vs tors. theta energy: -159.113 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: 38 Temperature: 0.950000 Total energy: -1835.674364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.674364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.674364 (E_RNA) where: Base-Base interactions energy: -1286.125 where: short stacking energy: -538.992 Base-Backbone interact. energy: 3.598 local terms energy: -553.147859 where: bonds (distance) C4'-P energy: -95.043 bonds (distance) P-C4' energy: -112.024 flat angles C4'-P-C4' energy: -119.846 flat angles P-C4'-P energy: -76.526 tors. eta vs tors. theta energy: -149.709 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: 3, replica: 8 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1789.250087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.250087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.250087 (E_RNA) where: Base-Base interactions energy: -1257.771 where: short stacking energy: -505.098 Base-Backbone interact. energy: -0.897 local terms energy: -530.582076 where: bonds (distance) C4'-P energy: -91.540 bonds (distance) P-C4' energy: -107.854 flat angles C4'-P-C4' energy: -109.608 flat angles P-C4'-P energy: -85.333 tors. eta vs tors. theta energy: -136.247 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: 3 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1780.315096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.315096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.315096 (E_RNA) where: Base-Base interactions energy: -1237.800 where: short stacking energy: -513.670 Base-Backbone interact. energy: 1.320 local terms energy: -543.834721 where: bonds (distance) C4'-P energy: -106.405 bonds (distance) P-C4' energy: -103.369 flat angles C4'-P-C4' energy: -107.812 flat angles P-C4'-P energy: -81.210 tors. eta vs tors. theta energy: -145.038 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: 2 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1708.102216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.102216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.102216 (E_RNA) where: Base-Base interactions energy: -1198.255 where: short stacking energy: -505.183 Base-Backbone interact. energy: -1.050 local terms energy: -508.796470 where: bonds (distance) C4'-P energy: -81.286 bonds (distance) P-C4' energy: -103.411 flat angles C4'-P-C4' energy: -117.917 flat angles P-C4'-P energy: -65.571 tors. eta vs tors. theta energy: -140.611 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: 6, replica: 6 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1604.344347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.344347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.344347 (E_RNA) where: Base-Base interactions energy: -1081.252 where: short stacking energy: -471.719 Base-Backbone interact. energy: -0.252 local terms energy: -522.840223 where: bonds (distance) C4'-P energy: -92.276 bonds (distance) P-C4' energy: -111.522 flat angles C4'-P-C4' energy: -106.087 flat angles P-C4'-P energy: -81.194 tors. eta vs tors. theta energy: -131.761 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: 5 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1571.822686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.822686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.822686 (E_RNA) where: Base-Base interactions energy: -1060.090 where: short stacking energy: -440.030 Base-Backbone interact. energy: 0.984 local terms energy: -512.716379 where: bonds (distance) C4'-P energy: -90.046 bonds (distance) P-C4' energy: -106.678 flat angles C4'-P-C4' energy: -108.168 flat angles P-C4'-P energy: -79.043 tors. eta vs tors. theta energy: -128.781 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: 9 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1432.016544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.016544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.016544 (E_RNA) where: Base-Base interactions energy: -965.158 where: short stacking energy: -426.952 Base-Backbone interact. energy: 0.541 local terms energy: -467.399547 where: bonds (distance) C4'-P energy: -95.766 bonds (distance) P-C4' energy: -82.654 flat angles C4'-P-C4' energy: -103.720 flat angles P-C4'-P energy: -70.157 tors. eta vs tors. theta energy: -115.103 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: 7 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -1280.963169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.963169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.963169 (E_RNA) where: Base-Base interactions energy: -858.960 where: short stacking energy: -363.078 Base-Backbone interact. energy: -0.467 local terms energy: -421.536388 where: bonds (distance) C4'-P energy: -77.850 bonds (distance) P-C4' energy: -101.849 flat angles C4'-P-C4' energy: -95.931 flat angles P-C4'-P energy: -69.358 tors. eta vs tors. theta energy: -76.549 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: 10, replica: 10 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -1206.602949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.602949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.602949 (E_RNA) where: Base-Base interactions energy: -798.286 where: short stacking energy: -334.001 Base-Backbone interact. energy: 2.709 local terms energy: -411.026638 where: bonds (distance) C4'-P energy: -76.678 bonds (distance) P-C4' energy: -105.824 flat angles C4'-P-C4' energy: -91.018 flat angles P-C4'-P energy: -63.709 tors. eta vs tors. theta energy: -73.798 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: 1, replica: 4 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1903.467606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.467606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.467606 (E_RNA) where: Base-Base interactions energy: -1337.723 where: short stacking energy: -558.282 Base-Backbone interact. energy: -0.213 local terms energy: -565.531334 where: bonds (distance) C4'-P energy: -96.077 bonds (distance) P-C4' energy: -105.906 flat angles C4'-P-C4' energy: -122.280 flat angles P-C4'-P energy: -82.183 tors. eta vs tors. theta energy: -159.086 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: 2, replica: 1 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1821.654696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.654696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.654696 (E_RNA) where: Base-Base interactions energy: -1268.573 where: short stacking energy: -539.342 Base-Backbone interact. energy: -2.298 local terms energy: -550.783334 where: bonds (distance) C4'-P energy: -91.246 bonds (distance) P-C4' energy: -111.505 flat angles C4'-P-C4' energy: -124.331 flat angles P-C4'-P energy: -74.578 tors. eta vs tors. theta energy: -149.123 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: 8 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1787.647212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.647212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.647212 (E_RNA) where: Base-Base interactions energy: -1253.294 where: short stacking energy: -524.714 Base-Backbone interact. energy: 1.073 local terms energy: -535.426440 where: bonds (distance) C4'-P energy: -99.782 bonds (distance) P-C4' energy: -108.825 flat angles C4'-P-C4' energy: -109.049 flat angles P-C4'-P energy: -72.461 tors. eta vs tors. theta energy: -145.310 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: 4, replica: 3 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1773.885655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.885655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.885655 (E_RNA) where: Base-Base interactions energy: -1232.643 where: short stacking energy: -514.361 Base-Backbone interact. energy: -4.171 local terms energy: -537.071532 where: bonds (distance) C4'-P energy: -95.222 bonds (distance) P-C4' energy: -111.485 flat angles C4'-P-C4' energy: -109.170 flat angles P-C4'-P energy: -78.363 tors. eta vs tors. theta energy: -142.831 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: 5, replica: 2 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1717.866875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.866875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.866875 (E_RNA) where: Base-Base interactions energy: -1206.115 where: short stacking energy: -495.308 Base-Backbone interact. energy: 5.818 local terms energy: -517.570284 where: bonds (distance) C4'-P energy: -99.636 bonds (distance) P-C4' energy: -87.418 flat angles C4'-P-C4' energy: -118.926 flat angles P-C4'-P energy: -78.203 tors. eta vs tors. theta energy: -133.387 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: 5 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1625.133155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.133155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.133155 (E_RNA) where: Base-Base interactions energy: -1129.046 where: short stacking energy: -462.565 Base-Backbone interact. energy: 0.232 local terms energy: -496.319577 where: bonds (distance) C4'-P energy: -84.105 bonds (distance) P-C4' energy: -104.203 flat angles C4'-P-C4' energy: -112.790 flat angles P-C4'-P energy: -71.658 tors. eta vs tors. theta energy: -123.563 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: 7, replica: 6 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1572.262880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.262880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.262880 (E_RNA) where: Base-Base interactions energy: -1110.361 where: short stacking energy: -458.759 Base-Backbone interact. energy: -1.168 local terms energy: -460.733554 where: bonds (distance) C4'-P energy: -93.033 bonds (distance) P-C4' energy: -82.684 flat angles C4'-P-C4' energy: -93.286 flat angles P-C4'-P energy: -69.308 tors. eta vs tors. theta energy: -122.422 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: 9 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1452.242400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.242400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.242400 (E_RNA) where: Base-Base interactions energy: -985.541 where: short stacking energy: -418.954 Base-Backbone interact. energy: -2.467 local terms energy: -464.234314 where: bonds (distance) C4'-P energy: -85.246 bonds (distance) P-C4' energy: -108.994 flat angles C4'-P-C4' energy: -98.677 flat angles P-C4'-P energy: -69.975 tors. eta vs tors. theta energy: -101.343 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: 9, replica: 7 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -1316.271606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.271606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.271606 (E_RNA) where: Base-Base interactions energy: -877.382 where: short stacking energy: -388.569 Base-Backbone interact. energy: 3.396 local terms energy: -442.286122 where: bonds (distance) C4'-P energy: -83.517 bonds (distance) P-C4' energy: -105.690 flat angles C4'-P-C4' energy: -95.392 flat angles P-C4'-P energy: -58.999 tors. eta vs tors. theta energy: -98.688 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: 10, replica: 10 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -1195.449828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.449828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.449828 (E_RNA) where: Base-Base interactions energy: -779.956 where: short stacking energy: -340.527 Base-Backbone interact. energy: -0.003 local terms energy: -415.490282 where: bonds (distance) C4'-P energy: -81.639 bonds (distance) P-C4' energy: -104.394 flat angles C4'-P-C4' energy: -95.905 flat angles P-C4'-P energy: -56.672 tors. eta vs tors. theta energy: -76.880 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: 1, replica: 4 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1900.153856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.153856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.153856 (E_RNA) where: Base-Base interactions energy: -1319.703 where: short stacking energy: -559.442 Base-Backbone interact. energy: -2.170 local terms energy: -578.281580 where: bonds (distance) C4'-P energy: -103.331 bonds (distance) P-C4' energy: -118.937 flat angles C4'-P-C4' energy: -115.864 flat angles P-C4'-P energy: -77.124 tors. eta vs tors. theta energy: -163.027 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: 40 Temperature: 0.950000 Total energy: -1869.063234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.063234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.063234 (E_RNA) where: Base-Base interactions energy: -1312.600 where: short stacking energy: -552.817 Base-Backbone interact. energy: 0.724 local terms energy: -557.187643 where: bonds (distance) C4'-P energy: -100.830 bonds (distance) P-C4' energy: -112.857 flat angles C4'-P-C4' energy: -119.169 flat angles P-C4'-P energy: -77.607 tors. eta vs tors. theta energy: -146.725 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: 3, replica: 3 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1787.486848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.486848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.486848 (E_RNA) where: Base-Base interactions energy: -1253.889 where: short stacking energy: -509.804 Base-Backbone interact. energy: 0.589 local terms energy: -534.187127 where: bonds (distance) C4'-P energy: -92.232 bonds (distance) P-C4' energy: -114.303 flat angles C4'-P-C4' energy: -116.323 flat angles P-C4'-P energy: -69.360 tors. eta vs tors. theta energy: -141.970 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: 4, replica: 8 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1772.746088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.746088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.746088 (E_RNA) where: Base-Base interactions energy: -1228.402 where: short stacking energy: -494.832 Base-Backbone interact. energy: -1.415 local terms energy: -542.928749 where: bonds (distance) C4'-P energy: -94.810 bonds (distance) P-C4' energy: -112.282 flat angles C4'-P-C4' energy: -113.556 flat angles P-C4'-P energy: -85.889 tors. eta vs tors. theta energy: -136.391 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: 2 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1736.627941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.627941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.627941 (E_RNA) where: Base-Base interactions energy: -1217.202 where: short stacking energy: -517.844 Base-Backbone interact. energy: -1.170 local terms energy: -518.256031 where: bonds (distance) C4'-P energy: -93.711 bonds (distance) P-C4' energy: -103.763 flat angles C4'-P-C4' energy: -106.962 flat angles P-C4'-P energy: -75.132 tors. eta vs tors. theta energy: -138.688 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: 6, replica: 5 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1566.769653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.769653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.769653 (E_RNA) where: Base-Base interactions energy: -1081.536 where: short stacking energy: -451.078 Base-Backbone interact. energy: 2.482 local terms energy: -487.715970 where: bonds (distance) C4'-P energy: -78.225 bonds (distance) P-C4' energy: -107.372 flat angles C4'-P-C4' energy: -109.755 flat angles P-C4'-P energy: -70.955 tors. eta vs tors. theta energy: -121.409 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: 6 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1587.606121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.606121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.606121 (E_RNA) where: Base-Base interactions energy: -1106.332 where: short stacking energy: -457.955 Base-Backbone interact. energy: 3.042 local terms energy: -484.315392 where: bonds (distance) C4'-P energy: -92.118 bonds (distance) P-C4' energy: -98.987 flat angles C4'-P-C4' energy: -108.299 flat angles P-C4'-P energy: -74.078 tors. eta vs tors. theta energy: -110.834 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: 8, replica: 9 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1426.887160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.887160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.887160 (E_RNA) where: Base-Base interactions energy: -987.882 where: short stacking energy: -414.223 Base-Backbone interact. energy: -1.407 local terms energy: -437.598157 where: bonds (distance) C4'-P energy: -81.686 bonds (distance) P-C4' energy: -87.483 flat angles C4'-P-C4' energy: -94.279 flat angles P-C4'-P energy: -69.725 tors. eta vs tors. theta energy: -104.426 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: 9, replica: 7 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -1298.797351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.797351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.797351 (E_RNA) where: Base-Base interactions energy: -868.417 where: short stacking energy: -385.057 Base-Backbone interact. energy: -1.368 local terms energy: -429.012991 where: bonds (distance) C4'-P energy: -88.756 bonds (distance) P-C4' energy: -99.010 flat angles C4'-P-C4' energy: -90.509 flat angles P-C4'-P energy: -57.558 tors. eta vs tors. theta energy: -93.180 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: 10 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -1197.480039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.480039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.480039 (E_RNA) where: Base-Base interactions energy: -803.711 where: short stacking energy: -342.188 Base-Backbone interact. energy: 0.950 local terms energy: -394.718962 where: bonds (distance) C4'-P energy: -81.389 bonds (distance) P-C4' energy: -91.675 flat angles C4'-P-C4' energy: -91.907 flat angles P-C4'-P energy: -51.381 tors. eta vs tors. theta energy: -78.368 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: 1, replica: 4 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1887.400807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.400807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.400807 (E_RNA) where: Base-Base interactions energy: -1304.737 where: short stacking energy: -553.438 Base-Backbone interact. energy: 1.351 local terms energy: -584.014727 where: bonds (distance) C4'-P energy: -106.957 bonds (distance) P-C4' energy: -110.318 flat angles C4'-P-C4' energy: -120.273 flat angles P-C4'-P energy: -85.488 tors. eta vs tors. theta energy: -160.979 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: 1 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1885.014252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.014252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.014252 (E_RNA) where: Base-Base interactions energy: -1311.280 where: short stacking energy: -551.106 Base-Backbone interact. energy: -3.459 local terms energy: -570.275299 where: bonds (distance) C4'-P energy: -100.778 bonds (distance) P-C4' energy: -115.628 flat angles C4'-P-C4' energy: -111.902 flat angles P-C4'-P energy: -87.672 tors. eta vs tors. theta energy: -154.295 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: 3, replica: 3 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1809.823067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.823067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.823067 (E_RNA) where: Base-Base interactions energy: -1283.026 where: short stacking energy: -536.147 Base-Backbone interact. energy: 3.108 local terms energy: -529.904256 where: bonds (distance) C4'-P energy: -91.244 bonds (distance) P-C4' energy: -110.482 flat angles C4'-P-C4' energy: -113.869 flat angles P-C4'-P energy: -71.962 tors. eta vs tors. theta energy: -142.347 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: 4, replica: 8 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1798.097924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.097924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.097924 (E_RNA) where: Base-Base interactions energy: -1254.650 where: short stacking energy: -511.610 Base-Backbone interact. energy: 0.143 local terms energy: -543.590027 where: bonds (distance) C4'-P energy: -87.288 bonds (distance) P-C4' energy: -108.265 flat angles C4'-P-C4' energy: -114.334 flat angles P-C4'-P energy: -78.994 tors. eta vs tors. theta energy: -154.710 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: 2 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1725.124310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.124310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.124310 (E_RNA) where: Base-Base interactions energy: -1200.943 where: short stacking energy: -497.490 Base-Backbone interact. energy: 0.458 local terms energy: -524.638956 where: bonds (distance) C4'-P energy: -98.563 bonds (distance) P-C4' energy: -98.478 flat angles C4'-P-C4' energy: -112.080 flat angles P-C4'-P energy: -79.277 tors. eta vs tors. theta energy: -136.242 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: 5 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1574.220263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.220263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.220263 (E_RNA) where: Base-Base interactions energy: -1073.559 where: short stacking energy: -439.777 Base-Backbone interact. energy: 2.233 local terms energy: -502.894314 where: bonds (distance) C4'-P energy: -93.543 bonds (distance) P-C4' energy: -101.951 flat angles C4'-P-C4' energy: -115.016 flat angles P-C4'-P energy: -73.758 tors. eta vs tors. theta energy: -118.626 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: 6 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1571.620811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.620811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.620811 (E_RNA) where: Base-Base interactions energy: -1107.450 where: short stacking energy: -466.261 Base-Backbone interact. energy: -1.602 local terms energy: -462.568490 where: bonds (distance) C4'-P energy: -88.415 bonds (distance) P-C4' energy: -99.097 flat angles C4'-P-C4' energy: -96.786 flat angles P-C4'-P energy: -70.817 tors. eta vs tors. theta energy: -107.453 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: 8, replica: 9 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1449.751777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.751777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.751777 (E_RNA) where: Base-Base interactions energy: -985.336 where: short stacking energy: -414.719 Base-Backbone interact. energy: 1.022 local terms energy: -465.438090 where: bonds (distance) C4'-P energy: -86.200 bonds (distance) P-C4' energy: -106.793 flat angles C4'-P-C4' energy: -103.850 flat angles P-C4'-P energy: -61.217 tors. eta vs tors. theta energy: -107.378 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: 7 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -1289.544450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.544450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.544450 (E_RNA) where: Base-Base interactions energy: -851.035 where: short stacking energy: -342.262 Base-Backbone interact. energy: 0.092 local terms energy: -438.600885 where: bonds (distance) C4'-P energy: -93.133 bonds (distance) P-C4' energy: -102.794 flat angles C4'-P-C4' energy: -109.912 flat angles P-C4'-P energy: -62.848 tors. eta vs tors. theta energy: -69.913 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: 10, replica: 10 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -1219.187249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.187249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.187249 (E_RNA) where: Base-Base interactions energy: -810.278 where: short stacking energy: -341.355 Base-Backbone interact. energy: -0.590 local terms energy: -408.319388 where: bonds (distance) C4'-P energy: -85.349 bonds (distance) P-C4' energy: -95.505 flat angles C4'-P-C4' energy: -93.545 flat angles P-C4'-P energy: -53.649 tors. eta vs tors. theta energy: -80.272 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: 1, replica: 4 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1895.896232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.896232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.896232 (E_RNA) where: Base-Base interactions energy: -1322.218 where: short stacking energy: -571.541 Base-Backbone interact. energy: -0.233 local terms energy: -573.445248 where: bonds (distance) C4'-P energy: -92.351 bonds (distance) P-C4' energy: -116.026 flat angles C4'-P-C4' energy: -124.562 flat angles P-C4'-P energy: -85.464 tors. eta vs tors. theta energy: -155.043 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: 1 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1855.956358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.956358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.956358 (E_RNA) where: Base-Base interactions energy: -1289.695 where: short stacking energy: -528.454 Base-Backbone interact. energy: 1.074 local terms energy: -567.336060 where: bonds (distance) C4'-P energy: -100.641 bonds (distance) P-C4' energy: -113.845 flat angles C4'-P-C4' energy: -121.311 flat angles P-C4'-P energy: -81.977 tors. eta vs tors. theta energy: -149.563 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: 3, replica: 8 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1802.491196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.491196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.491196 (E_RNA) where: Base-Base interactions energy: -1251.485 where: short stacking energy: -520.733 Base-Backbone interact. energy: -1.260 local terms energy: -549.746219 where: bonds (distance) C4'-P energy: -103.481 bonds (distance) P-C4' energy: -110.661 flat angles C4'-P-C4' energy: -118.448 flat angles P-C4'-P energy: -72.685 tors. eta vs tors. theta energy: -144.471 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: 4, replica: 3 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1829.438327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.438327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.438327 (E_RNA) where: Base-Base interactions energy: -1295.605 where: short stacking energy: -523.558 Base-Backbone interact. energy: -1.308 local terms energy: -532.525881 where: bonds (distance) C4'-P energy: -86.969 bonds (distance) P-C4' energy: -108.437 flat angles C4'-P-C4' energy: -116.378 flat angles P-C4'-P energy: -76.927 tors. eta vs tors. theta energy: -143.814 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: 5, replica: 2 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1689.865065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.865065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.865065 (E_RNA) where: Base-Base interactions energy: -1182.604 where: short stacking energy: -478.163 Base-Backbone interact. energy: -2.271 local terms energy: -504.990716 where: bonds (distance) C4'-P energy: -92.208 bonds (distance) P-C4' energy: -102.724 flat angles C4'-P-C4' energy: -107.241 flat angles P-C4'-P energy: -74.842 tors. eta vs tors. theta energy: -127.977 Dist. restrs. and SS energy: 0.000 (S_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: 42 Temperature: 1.150000 Total energy: -1574.065646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.065646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.065646 (E_RNA) where: Base-Base interactions energy: -1072.391 where: short stacking energy: -445.061 Base-Backbone interact. energy: -1.651 local terms energy: -500.023604 where: bonds (distance) C4'-P energy: -84.559 bonds (distance) P-C4' energy: -103.028 flat angles C4'-P-C4' energy: -116.730 flat angles P-C4'-P energy: -72.837 tors. eta vs tors. theta energy: -122.869 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: 7, replica: 6 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1556.810271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.810271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.810271 (E_RNA) where: Base-Base interactions energy: -1084.096 where: short stacking energy: -452.995 Base-Backbone interact. energy: -0.058 local terms energy: -472.655584 where: bonds (distance) C4'-P energy: -95.458 bonds (distance) P-C4' energy: -100.124 flat angles C4'-P-C4' energy: -106.353 flat angles P-C4'-P energy: -56.567 tors. eta vs tors. theta energy: -114.154 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: 8, replica: 9 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1472.057637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.057637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.057637 (E_RNA) where: Base-Base interactions energy: -1004.832 where: short stacking energy: -433.883 Base-Backbone interact. energy: -1.632 local terms energy: -465.593581 where: bonds (distance) C4'-P energy: -73.953 bonds (distance) P-C4' energy: -110.694 flat angles C4'-P-C4' energy: -102.710 flat angles P-C4'-P energy: -65.738 tors. eta vs tors. theta energy: -112.500 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: 7 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -1296.018034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.018034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.018034 (E_RNA) where: Base-Base interactions energy: -885.042 where: short stacking energy: -373.002 Base-Backbone interact. energy: 7.198 local terms energy: -418.173799 where: bonds (distance) C4'-P energy: -84.059 bonds (distance) P-C4' energy: -96.024 flat angles C4'-P-C4' energy: -105.864 flat angles P-C4'-P energy: -51.466 tors. eta vs tors. theta energy: -80.761 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: 10, replica: 10 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -1196.861169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.861169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.861169 (E_RNA) where: Base-Base interactions energy: -786.227 where: short stacking energy: -335.754 Base-Backbone interact. energy: 4.980 local terms energy: -415.614414 where: bonds (distance) C4'-P energy: -80.824 bonds (distance) P-C4' energy: -100.698 flat angles C4'-P-C4' energy: -93.488 flat angles P-C4'-P energy: -64.685 tors. eta vs tors. theta energy: -75.920 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: 4 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1896.614983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.614983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.614983 (E_RNA) where: Base-Base interactions energy: -1311.879 where: short stacking energy: -559.503 Base-Backbone interact. energy: -0.678 local terms energy: -584.057151 where: bonds (distance) C4'-P energy: -109.016 bonds (distance) P-C4' energy: -114.090 flat angles C4'-P-C4' energy: -118.871 flat angles P-C4'-P energy: -84.097 tors. eta vs tors. theta energy: -157.984 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: 8 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1841.633399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.633399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.633399 (E_RNA) where: Base-Base interactions energy: -1299.714 where: short stacking energy: -533.540 Base-Backbone interact. energy: 0.781 local terms energy: -542.700164 where: bonds (distance) C4'-P energy: -94.301 bonds (distance) P-C4' energy: -99.283 flat angles C4'-P-C4' energy: -115.808 flat angles P-C4'-P energy: -79.519 tors. eta vs tors. theta energy: -153.789 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: 3, replica: 1 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1816.025354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.025354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.025354 (E_RNA) where: Base-Base interactions energy: -1276.841 where: short stacking energy: -510.142 Base-Backbone interact. energy: 3.701 local terms energy: -542.885065 where: bonds (distance) C4'-P energy: -90.290 bonds (distance) P-C4' energy: -114.829 flat angles C4'-P-C4' energy: -112.494 flat angles P-C4'-P energy: -78.870 tors. eta vs tors. theta energy: -146.402 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: 4, replica: 3 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1784.125201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.125201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.125201 (E_RNA) where: Base-Base interactions energy: -1250.919 where: short stacking energy: -514.071 Base-Backbone interact. energy: -1.282 local terms energy: -531.923612 where: bonds (distance) C4'-P energy: -99.808 bonds (distance) P-C4' energy: -98.983 flat angles C4'-P-C4' energy: -111.178 flat angles P-C4'-P energy: -83.885 tors. eta vs tors. theta energy: -138.070 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: 5, replica: 2 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1729.798709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.798709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.798709 (E_RNA) where: Base-Base interactions energy: -1194.921 where: short stacking energy: -506.016 Base-Backbone interact. energy: -1.799 local terms energy: -533.077737 where: bonds (distance) C4'-P energy: -102.487 bonds (distance) P-C4' energy: -110.583 flat angles C4'-P-C4' energy: -113.924 flat angles P-C4'-P energy: -68.167 tors. eta vs tors. theta energy: -137.917 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: 5 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1555.915830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.915830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.915830 (E_RNA) where: Base-Base interactions energy: -1071.695 where: short stacking energy: -453.067 Base-Backbone interact. energy: -3.062 local terms energy: -481.158620 where: bonds (distance) C4'-P energy: -90.272 bonds (distance) P-C4' energy: -102.703 flat angles C4'-P-C4' energy: -103.511 flat angles P-C4'-P energy: -76.169 tors. eta vs tors. theta energy: -108.504 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: 7, replica: 6 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1562.650251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.650251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.650251 (E_RNA) where: Base-Base interactions energy: -1078.068 where: short stacking energy: -446.959 Base-Backbone interact. energy: 4.318 local terms energy: -488.899918 where: bonds (distance) C4'-P energy: -97.629 bonds (distance) P-C4' energy: -101.253 flat angles C4'-P-C4' energy: -110.441 flat angles P-C4'-P energy: -72.672 tors. eta vs tors. theta energy: -106.905 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: 8, replica: 9 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1473.771321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.771321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.771321 (E_RNA) where: Base-Base interactions energy: -1030.536 where: short stacking energy: -406.401 Base-Backbone interact. energy: 0.928 local terms energy: -444.163498 where: bonds (distance) C4'-P energy: -79.224 bonds (distance) P-C4' energy: -103.912 flat angles C4'-P-C4' energy: -98.509 flat angles P-C4'-P energy: -60.939 tors. eta vs tors. theta energy: -101.580 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: 9, replica: 7 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -1311.386596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.386596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.386596 (E_RNA) where: Base-Base interactions energy: -894.546 where: short stacking energy: -375.418 Base-Backbone interact. energy: 7.105 local terms energy: -423.945560 where: bonds (distance) C4'-P energy: -84.432 bonds (distance) P-C4' energy: -105.500 flat angles C4'-P-C4' energy: -88.530 flat angles P-C4'-P energy: -57.505 tors. eta vs tors. theta energy: -87.978 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: 10, replica: 10 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -1199.629228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.629228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.629228 (E_RNA) where: Base-Base interactions energy: -792.267 where: short stacking energy: -328.250 Base-Backbone interact. energy: 2.798 local terms energy: -410.159934 where: bonds (distance) C4'-P energy: -80.923 bonds (distance) P-C4' energy: -93.795 flat angles C4'-P-C4' energy: -99.768 flat angles P-C4'-P energy: -65.050 tors. eta vs tors. theta energy: -70.624 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: 4 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1911.818501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.818501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.818501 (E_RNA) where: Base-Base interactions energy: -1316.770 where: short stacking energy: -560.298 Base-Backbone interact. energy: -2.123 local terms energy: -592.925806 where: bonds (distance) C4'-P energy: -108.005 bonds (distance) P-C4' energy: -108.738 flat angles C4'-P-C4' energy: -122.695 flat angles P-C4'-P energy: -89.861 tors. eta vs tors. theta energy: -163.627 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: 8 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1860.614816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.614816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.614816 (E_RNA) where: Base-Base interactions energy: -1304.134 where: short stacking energy: -551.672 Base-Backbone interact. energy: -1.947 local terms energy: -554.533922 where: bonds (distance) C4'-P energy: -90.686 bonds (distance) P-C4' energy: -114.178 flat angles C4'-P-C4' energy: -116.754 flat angles P-C4'-P energy: -82.682 tors. eta vs tors. theta energy: -150.233 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: 3, replica: 3 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1818.306519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.306519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.306519 (E_RNA) where: Base-Base interactions energy: -1281.807 where: short stacking energy: -526.530 Base-Backbone interact. energy: 2.142 local terms energy: -538.641105 where: bonds (distance) C4'-P energy: -88.066 bonds (distance) P-C4' energy: -105.761 flat angles C4'-P-C4' energy: -116.392 flat angles P-C4'-P energy: -76.820 tors. eta vs tors. theta energy: -151.602 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: 4, replica: 1 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1815.229606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.229606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.229606 (E_RNA) where: Base-Base interactions energy: -1258.956 where: short stacking energy: -525.973 Base-Backbone interact. energy: 1.403 local terms energy: -557.677125 where: bonds (distance) C4'-P energy: -106.689 bonds (distance) P-C4' energy: -113.428 flat angles C4'-P-C4' energy: -112.874 flat angles P-C4'-P energy: -75.430 tors. eta vs tors. theta energy: -149.257 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: 5, replica: 2 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1710.085019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.085019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.085019 (E_RNA) where: Base-Base interactions energy: -1193.122 where: short stacking energy: -484.905 Base-Backbone interact. energy: 3.452 local terms energy: -520.415200 where: bonds (distance) C4'-P energy: -93.966 bonds (distance) P-C4' energy: -107.680 flat angles C4'-P-C4' energy: -103.940 flat angles P-C4'-P energy: -73.719 tors. eta vs tors. theta energy: -141.110 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: 5 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1572.580792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.580792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.580792 (E_RNA) where: Base-Base interactions energy: -1078.980 where: short stacking energy: -446.241 Base-Backbone interact. energy: -1.695 local terms energy: -491.905687 where: bonds (distance) C4'-P energy: -79.327 bonds (distance) P-C4' energy: -118.309 flat angles C4'-P-C4' energy: -103.763 flat angles P-C4'-P energy: -77.570 tors. eta vs tors. theta energy: -112.936 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: 6 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1542.383672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.383672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.383672 (E_RNA) where: Base-Base interactions energy: -1056.919 where: short stacking energy: -439.447 Base-Backbone interact. energy: -1.995 local terms energy: -483.470053 where: bonds (distance) C4'-P energy: -91.652 bonds (distance) P-C4' energy: -97.113 flat angles C4'-P-C4' energy: -110.501 flat angles P-C4'-P energy: -72.720 tors. eta vs tors. theta energy: -111.483 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: 8, replica: 9 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1441.273999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.273999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.273999 (E_RNA) where: Base-Base interactions energy: -1002.811 where: short stacking energy: -412.819 Base-Backbone interact. energy: 0.074 local terms energy: -438.536659 where: bonds (distance) C4'-P energy: -70.486 bonds (distance) P-C4' energy: -104.496 flat angles C4'-P-C4' energy: -99.459 flat angles P-C4'-P energy: -66.298 tors. eta vs tors. theta energy: -97.797 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: 9, replica: 7 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -1289.264571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.264571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.264571 (E_RNA) where: Base-Base interactions energy: -864.716 where: short stacking energy: -354.516 Base-Backbone interact. energy: 0.952 local terms energy: -425.500373 where: bonds (distance) C4'-P energy: -86.829 bonds (distance) P-C4' energy: -107.791 flat angles C4'-P-C4' energy: -90.669 flat angles P-C4'-P energy: -60.963 tors. eta vs tors. theta energy: -79.248 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: 10, replica: 10 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -1206.101066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.101066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.101066 (E_RNA) where: Base-Base interactions energy: -796.205 where: short stacking energy: -343.026 Base-Backbone interact. energy: -2.531 local terms energy: -407.365793 where: bonds (distance) C4'-P energy: -91.782 bonds (distance) P-C4' energy: -89.872 flat angles C4'-P-C4' energy: -95.162 flat angles P-C4'-P energy: -57.038 tors. eta vs tors. theta energy: -73.512 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: 1, replica: 4 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1895.619471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.619471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.619471 (E_RNA) where: Base-Base interactions energy: -1332.413 where: short stacking energy: -544.976 Base-Backbone interact. energy: -0.766 local terms energy: -562.440682 where: bonds (distance) C4'-P energy: -91.120 bonds (distance) P-C4' energy: -111.900 flat angles C4'-P-C4' energy: -114.635 flat angles P-C4'-P energy: -83.921 tors. eta vs tors. theta energy: -160.865 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: 2, replica: 8 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1851.582674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.582674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.582674 (E_RNA) where: Base-Base interactions energy: -1300.346 where: short stacking energy: -533.823 Base-Backbone interact. energy: 1.377 local terms energy: -552.613635 where: bonds (distance) C4'-P energy: -95.941 bonds (distance) P-C4' energy: -108.330 flat angles C4'-P-C4' energy: -111.594 flat angles P-C4'-P energy: -87.229 tors. eta vs tors. theta energy: -149.519 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: 3, replica: 3 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1812.659128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.659128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.659128 (E_RNA) where: Base-Base interactions energy: -1258.955 where: short stacking energy: -514.477 Base-Backbone interact. energy: 2.198 local terms energy: -555.902628 where: bonds (distance) C4'-P energy: -97.886 bonds (distance) P-C4' energy: -123.365 flat angles C4'-P-C4' energy: -108.346 flat angles P-C4'-P energy: -82.938 tors. eta vs tors. theta energy: -143.367 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: 4, replica: 1 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1783.587638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.587638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.587638 (E_RNA) where: Base-Base interactions energy: -1249.437 where: short stacking energy: -535.081 Base-Backbone interact. energy: 1.692 local terms energy: -535.842151 where: bonds (distance) C4'-P energy: -95.238 bonds (distance) P-C4' energy: -112.456 flat angles C4'-P-C4' energy: -112.644 flat angles P-C4'-P energy: -68.903 tors. eta vs tors. theta energy: -146.601 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: 5, replica: 2 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1740.401062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.401062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.401062 (E_RNA) where: Base-Base interactions energy: -1220.269 where: short stacking energy: -501.592 Base-Backbone interact. energy: -0.116 local terms energy: -520.015655 where: bonds (distance) C4'-P energy: -89.527 bonds (distance) P-C4' energy: -96.896 flat angles C4'-P-C4' energy: -106.902 flat angles P-C4'-P energy: -81.553 tors. eta vs tors. theta energy: -145.137 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: 6, replica: 5 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1611.308589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.308589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.308589 (E_RNA) where: Base-Base interactions energy: -1108.440 where: short stacking energy: -476.603 Base-Backbone interact. energy: -0.883 local terms energy: -501.985977 where: bonds (distance) C4'-P energy: -95.111 bonds (distance) P-C4' energy: -92.996 flat angles C4'-P-C4' energy: -106.238 flat angles P-C4'-P energy: -72.577 tors. eta vs tors. theta energy: -135.063 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: 7, replica: 6 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1579.220713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.220713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.220713 (E_RNA) where: Base-Base interactions energy: -1057.291 where: short stacking energy: -443.095 Base-Backbone interact. energy: -0.160 local terms energy: -521.770183 where: bonds (distance) C4'-P energy: -97.883 bonds (distance) P-C4' energy: -114.913 flat angles C4'-P-C4' energy: -99.247 flat angles P-C4'-P energy: -86.859 tors. eta vs tors. theta energy: -122.868 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: 8, replica: 9 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1456.159369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.159369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.159369 (E_RNA) where: Base-Base interactions energy: -1017.736 where: short stacking energy: -422.890 Base-Backbone interact. energy: 3.945 local terms energy: -442.367790 where: bonds (distance) C4'-P energy: -90.476 bonds (distance) P-C4' energy: -106.598 flat angles C4'-P-C4' energy: -95.430 flat angles P-C4'-P energy: -51.245 tors. eta vs tors. theta energy: -98.618 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: 9, replica: 7 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -1265.216232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.216232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.216232 (E_RNA) where: Base-Base interactions energy: -849.398 where: short stacking energy: -390.503 Base-Backbone interact. energy: 8.480 local terms energy: -424.297990 where: bonds (distance) C4'-P energy: -81.468 bonds (distance) P-C4' energy: -98.905 flat angles C4'-P-C4' energy: -81.507 flat angles P-C4'-P energy: -68.609 tors. eta vs tors. theta energy: -93.809 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: 10, replica: 10 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -1190.800654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.800654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.800654 (E_RNA) where: Base-Base interactions energy: -804.718 where: short stacking energy: -326.217 Base-Backbone interact. energy: 3.488 local terms energy: -389.570246 where: bonds (distance) C4'-P energy: -83.458 bonds (distance) P-C4' energy: -95.469 flat angles C4'-P-C4' energy: -80.327 flat angles P-C4'-P energy: -64.068 tors. eta vs tors. theta energy: -66.248 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: 1, replica: 4 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1901.571905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.571905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.571905 (E_RNA) where: Base-Base interactions energy: -1315.625 where: short stacking energy: -558.474 Base-Backbone interact. energy: -0.457 local terms energy: -585.489976 where: bonds (distance) C4'-P energy: -97.581 bonds (distance) P-C4' energy: -119.731 flat angles C4'-P-C4' energy: -121.984 flat angles P-C4'-P energy: -87.356 tors. eta vs tors. theta energy: -158.839 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: 2, replica: 8 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1852.184352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.184352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.184352 (E_RNA) where: Base-Base interactions energy: -1295.612 where: short stacking energy: -530.545 Base-Backbone interact. energy: -0.501 local terms energy: -556.072084 where: bonds (distance) C4'-P energy: -108.093 bonds (distance) P-C4' energy: -115.688 flat angles C4'-P-C4' energy: -104.265 flat angles P-C4'-P energy: -77.214 tors. eta vs tors. theta energy: -150.811 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: 3, replica: 3 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1816.327734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.327734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.327734 (E_RNA) where: Base-Base interactions energy: -1283.493 where: short stacking energy: -523.889 Base-Backbone interact. energy: -0.414 local terms energy: -532.420353 where: bonds (distance) C4'-P energy: -90.433 bonds (distance) P-C4' energy: -106.352 flat angles C4'-P-C4' energy: -107.513 flat angles P-C4'-P energy: -80.362 tors. eta vs tors. theta energy: -147.761 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: 1 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1754.073185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.073185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.073185 (E_RNA) where: Base-Base interactions energy: -1233.060 where: short stacking energy: -501.940 Base-Backbone interact. energy: 2.965 local terms energy: -523.978725 where: bonds (distance) C4'-P energy: -89.934 bonds (distance) P-C4' energy: -103.451 flat angles C4'-P-C4' energy: -109.409 flat angles P-C4'-P energy: -71.788 tors. eta vs tors. theta energy: -149.396 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: 5, replica: 2 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1715.893632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.893632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.893632 (E_RNA) where: Base-Base interactions energy: -1181.846 where: short stacking energy: -487.479 Base-Backbone interact. energy: -1.035 local terms energy: -533.012603 where: bonds (distance) C4'-P energy: -94.634 bonds (distance) P-C4' energy: -108.645 flat angles C4'-P-C4' energy: -118.338 flat angles P-C4'-P energy: -78.232 tors. eta vs tors. theta energy: -133.163 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: 5 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1596.258541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.258541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.258541 (E_RNA) where: Base-Base interactions energy: -1096.936 where: short stacking energy: -457.261 Base-Backbone interact. energy: -1.722 local terms energy: -497.600534 where: bonds (distance) C4'-P energy: -89.249 bonds (distance) P-C4' energy: -94.577 flat angles C4'-P-C4' energy: -108.597 flat angles P-C4'-P energy: -71.935 tors. eta vs tors. theta energy: -133.243 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: 7, replica: 6 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1571.484487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.484487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.484487 (E_RNA) where: Base-Base interactions energy: -1109.215 where: short stacking energy: -437.846 Base-Backbone interact. energy: 0.566 local terms energy: -462.835748 where: bonds (distance) C4'-P energy: -88.320 bonds (distance) P-C4' energy: -96.729 flat angles C4'-P-C4' energy: -89.874 flat angles P-C4'-P energy: -74.916 tors. eta vs tors. theta energy: -112.996 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: 8, replica: 9 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1483.887649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.887649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.887649 (E_RNA) where: Base-Base interactions energy: -1011.044 where: short stacking energy: -426.602 Base-Backbone interact. energy: 1.689 local terms energy: -474.532656 where: bonds (distance) C4'-P energy: -81.766 bonds (distance) P-C4' energy: -101.242 flat angles C4'-P-C4' energy: -101.703 flat angles P-C4'-P energy: -69.227 tors. eta vs tors. theta energy: -120.595 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: 9, replica: 7 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -1259.843383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.843383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.843383 (E_RNA) where: Base-Base interactions energy: -827.214 where: short stacking energy: -371.979 Base-Backbone interact. energy: -2.315 local terms energy: -430.314388 where: bonds (distance) C4'-P energy: -75.480 bonds (distance) P-C4' energy: -113.794 flat angles C4'-P-C4' energy: -94.899 flat angles P-C4'-P energy: -67.930 tors. eta vs tors. theta energy: -78.211 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: 10 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -1269.209937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.209937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.209937 (E_RNA) where: Base-Base interactions energy: -868.267 where: short stacking energy: -367.544 Base-Backbone interact. energy: -0.420 local terms energy: -400.523173 where: bonds (distance) C4'-P energy: -79.178 bonds (distance) P-C4' energy: -93.915 flat angles C4'-P-C4' energy: -95.855 flat angles P-C4'-P energy: -56.957 tors. eta vs tors. theta energy: -74.618 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: 4 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1901.209651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.209651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.209651 (E_RNA) where: Base-Base interactions energy: -1330.367 where: short stacking energy: -556.643 Base-Backbone interact. energy: 0.620 local terms energy: -571.461962 where: bonds (distance) C4'-P energy: -103.290 bonds (distance) P-C4' energy: -112.277 flat angles C4'-P-C4' energy: -113.480 flat angles P-C4'-P energy: -83.476 tors. eta vs tors. theta energy: -158.939 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: 2, replica: 3 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1868.524162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.524162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.524162 (E_RNA) where: Base-Base interactions energy: -1305.249 where: short stacking energy: -553.315 Base-Backbone interact. energy: 2.326 local terms energy: -565.600366 where: bonds (distance) C4'-P energy: -91.355 bonds (distance) P-C4' energy: -114.032 flat angles C4'-P-C4' energy: -116.968 flat angles P-C4'-P energy: -87.565 tors. eta vs tors. theta energy: -155.682 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: 3, replica: 8 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1833.863532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.863532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.863532 (E_RNA) where: Base-Base interactions energy: -1281.731 where: short stacking energy: -520.052 Base-Backbone interact. energy: -0.064 local terms energy: -552.068530 where: bonds (distance) C4'-P energy: -91.470 bonds (distance) P-C4' energy: -113.196 flat angles C4'-P-C4' energy: -115.059 flat angles P-C4'-P energy: -81.153 tors. eta vs tors. theta energy: -151.190 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: 47 Temperature: 1.050000 Total energy: -1776.496538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.496538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.496538 (E_RNA) where: Base-Base interactions energy: -1254.916 where: short stacking energy: -520.963 Base-Backbone interact. energy: -1.588 local terms energy: -519.993059 where: bonds (distance) C4'-P energy: -89.238 bonds (distance) P-C4' energy: -100.671 flat angles C4'-P-C4' energy: -114.862 flat angles P-C4'-P energy: -70.281 tors. eta vs tors. theta energy: -144.942 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: 5, replica: 2 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1719.266640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.266640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.266640 (E_RNA) where: Base-Base interactions energy: -1205.440 where: short stacking energy: -518.647 Base-Backbone interact. energy: 1.809 local terms energy: -515.635851 where: bonds (distance) C4'-P energy: -93.653 bonds (distance) P-C4' energy: -106.851 flat angles C4'-P-C4' energy: -106.345 flat angles P-C4'-P energy: -65.075 tors. eta vs tors. theta energy: -143.713 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: 6, replica: 6 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1579.352557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.352557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.352557 (E_RNA) where: Base-Base interactions energy: -1091.812 where: short stacking energy: -480.614 Base-Backbone interact. energy: 1.592 local terms energy: -489.132574 where: bonds (distance) C4'-P energy: -84.847 bonds (distance) P-C4' energy: -107.545 flat angles C4'-P-C4' energy: -97.833 flat angles P-C4'-P energy: -70.615 tors. eta vs tors. theta energy: -128.293 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: 7, replica: 5 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1561.652685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.652685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.652685 (E_RNA) where: Base-Base interactions energy: -1095.152 where: short stacking energy: -450.195 Base-Backbone interact. energy: -2.158 local terms energy: -464.343161 where: bonds (distance) C4'-P energy: -73.138 bonds (distance) P-C4' energy: -107.392 flat angles C4'-P-C4' energy: -97.476 flat angles P-C4'-P energy: -69.867 tors. eta vs tors. theta energy: -116.470 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: 8, replica: 9 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1405.117041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.117041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.117041 (E_RNA) where: Base-Base interactions energy: -969.167 where: short stacking energy: -392.431 Base-Backbone interact. energy: 0.684 local terms energy: -436.633756 where: bonds (distance) C4'-P energy: -87.107 bonds (distance) P-C4' energy: -100.215 flat angles C4'-P-C4' energy: -100.695 flat angles P-C4'-P energy: -62.006 tors. eta vs tors. theta energy: -86.611 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: 7 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -1286.420956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.420956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.420956 (E_RNA) where: Base-Base interactions energy: -880.159 where: short stacking energy: -368.825 Base-Backbone interact. energy: 0.839 local terms energy: -407.101803 where: bonds (distance) C4'-P energy: -80.449 bonds (distance) P-C4' energy: -90.343 flat angles C4'-P-C4' energy: -89.896 flat angles P-C4'-P energy: -62.605 tors. eta vs tors. theta energy: -83.809 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: 10, replica: 10 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -1219.331713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.331713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.331713 (E_RNA) where: Base-Base interactions energy: -810.064 where: short stacking energy: -329.920 Base-Backbone interact. energy: 1.396 local terms energy: -410.664487 where: bonds (distance) C4'-P energy: -88.791 bonds (distance) P-C4' energy: -90.773 flat angles C4'-P-C4' energy: -88.714 flat angles P-C4'-P energy: -66.514 tors. eta vs tors. theta energy: -75.873 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: 4 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1896.644497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.644497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.644497 (E_RNA) where: Base-Base interactions energy: -1330.955 where: short stacking energy: -555.529 Base-Backbone interact. energy: 1.502 local terms energy: -567.191639 where: bonds (distance) C4'-P energy: -99.332 bonds (distance) P-C4' energy: -111.752 flat angles C4'-P-C4' energy: -115.982 flat angles P-C4'-P energy: -81.079 tors. eta vs tors. theta energy: -159.047 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: 2, replica: 3 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1843.165684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.165684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.165684 (E_RNA) where: Base-Base interactions energy: -1290.124 where: short stacking energy: -518.424 Base-Backbone interact. energy: -0.659 local terms energy: -552.382326 where: bonds (distance) C4'-P energy: -105.092 bonds (distance) P-C4' energy: -115.435 flat angles C4'-P-C4' energy: -117.600 flat angles P-C4'-P energy: -71.954 tors. eta vs tors. theta energy: -142.301 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: 3, replica: 1 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1825.740904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.740904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.740904 (E_RNA) where: Base-Base interactions energy: -1290.822 where: short stacking energy: -545.200 Base-Backbone interact. energy: 2.650 local terms energy: -537.569769 where: bonds (distance) C4'-P energy: -85.128 bonds (distance) P-C4' energy: -105.301 flat angles C4'-P-C4' energy: -108.921 flat angles P-C4'-P energy: -85.676 tors. eta vs tors. theta energy: -152.543 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: 4, replica: 8 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1780.352173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.352173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.352173 (E_RNA) where: Base-Base interactions energy: -1249.285 where: short stacking energy: -509.158 Base-Backbone interact. energy: -2.032 local terms energy: -529.035123 where: bonds (distance) C4'-P energy: -81.081 bonds (distance) P-C4' energy: -103.153 flat angles C4'-P-C4' energy: -115.519 flat angles P-C4'-P energy: -81.520 tors. eta vs tors. theta energy: -147.762 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: 5, replica: 2 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1738.135098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.135098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.135098 (E_RNA) where: Base-Base interactions energy: -1204.870 where: short stacking energy: -516.767 Base-Backbone interact. energy: -0.849 local terms energy: -532.415973 where: bonds (distance) C4'-P energy: -86.020 bonds (distance) P-C4' energy: -113.018 flat angles C4'-P-C4' energy: -110.364 flat angles P-C4'-P energy: -80.353 tors. eta vs tors. theta energy: -142.661 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: 6, replica: 6 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1606.591053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.591053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.591053 (E_RNA) where: Base-Base interactions energy: -1096.850 where: short stacking energy: -455.141 Base-Backbone interact. energy: -1.865 local terms energy: -507.876030 where: bonds (distance) C4'-P energy: -88.040 bonds (distance) P-C4' energy: -111.992 flat angles C4'-P-C4' energy: -104.045 flat angles P-C4'-P energy: -80.126 tors. eta vs tors. theta energy: -123.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1573.025641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.025641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.025641 (E_RNA) where: Base-Base interactions energy: -1084.840 where: short stacking energy: -436.618 Base-Backbone interact. energy: -1.061 local terms energy: -487.124666 where: bonds (distance) C4'-P energy: -87.702 bonds (distance) P-C4' energy: -102.783 flat angles C4'-P-C4' energy: -95.649 flat angles P-C4'-P energy: -76.027 tors. eta vs tors. theta energy: -124.964 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: 8, replica: 9 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1452.624914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.624914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.624914 (E_RNA) where: Base-Base interactions energy: -984.709 where: short stacking energy: -407.946 Base-Backbone interact. energy: -0.756 local terms energy: -467.160795 where: bonds (distance) C4'-P energy: -102.123 bonds (distance) P-C4' energy: -92.848 flat angles C4'-P-C4' energy: -98.433 flat angles P-C4'-P energy: -66.050 tors. eta vs tors. theta energy: -107.708 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: 9, replica: 7 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -1297.735341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.735341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.735341 (E_RNA) where: Base-Base interactions energy: -856.524 where: short stacking energy: -363.580 Base-Backbone interact. energy: -0.928 local terms energy: -440.283940 where: bonds (distance) C4'-P energy: -88.152 bonds (distance) P-C4' energy: -102.102 flat angles C4'-P-C4' energy: -99.720 flat angles P-C4'-P energy: -64.621 tors. eta vs tors. theta energy: -85.688 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: 10, replica: 10 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -1219.285517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.285517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.285517 (E_RNA) where: Base-Base interactions energy: -786.937 where: short stacking energy: -345.981 Base-Backbone interact. energy: -1.894 local terms energy: -430.455028 where: bonds (distance) C4'-P energy: -88.040 bonds (distance) P-C4' energy: -93.167 flat angles C4'-P-C4' energy: -108.671 flat angles P-C4'-P energy: -66.848 tors. eta vs tors. theta energy: -73.729 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: 1, replica: 4 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1875.608672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.608672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.608672 (E_RNA) where: Base-Base interactions energy: -1303.423 where: short stacking energy: -544.989 Base-Backbone interact. energy: 0.932 local terms energy: -573.117054 where: bonds (distance) C4'-P energy: -98.401 bonds (distance) P-C4' energy: -122.731 flat angles C4'-P-C4' energy: -122.068 flat angles P-C4'-P energy: -76.957 tors. eta vs tors. theta energy: -152.959 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: 2, replica: 1 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1841.058097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.058097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.058097 (E_RNA) where: Base-Base interactions energy: -1280.270 where: short stacking energy: -529.032 Base-Backbone interact. energy: -1.880 local terms energy: -558.907504 where: bonds (distance) C4'-P energy: -99.169 bonds (distance) P-C4' energy: -109.575 flat angles C4'-P-C4' energy: -115.496 flat angles P-C4'-P energy: -82.883 tors. eta vs tors. theta energy: -151.784 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: 3 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1833.008082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.008082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.008082 (E_RNA) where: Base-Base interactions energy: -1290.452 where: short stacking energy: -538.084 Base-Backbone interact. energy: -0.368 local terms energy: -542.187422 where: bonds (distance) C4'-P energy: -95.893 bonds (distance) P-C4' energy: -113.696 flat angles C4'-P-C4' energy: -111.591 flat angles P-C4'-P energy: -72.095 tors. eta vs tors. theta energy: -148.912 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: 2 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1796.988726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.988726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.988726 (E_RNA) where: Base-Base interactions energy: -1268.885 where: short stacking energy: -519.481 Base-Backbone interact. energy: -0.635 local terms energy: -527.468838 where: bonds (distance) C4'-P energy: -85.239 bonds (distance) P-C4' energy: -108.327 flat angles C4'-P-C4' energy: -102.995 flat angles P-C4'-P energy: -81.731 tors. eta vs tors. theta energy: -149.177 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: 5, replica: 8 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1742.677862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.677862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.677862 (E_RNA) where: Base-Base interactions energy: -1212.147 where: short stacking energy: -489.136 Base-Backbone interact. energy: -2.886 local terms energy: -527.645415 where: bonds (distance) C4'-P energy: -104.430 bonds (distance) P-C4' energy: -90.842 flat angles C4'-P-C4' energy: -114.927 flat angles P-C4'-P energy: -76.421 tors. eta vs tors. theta energy: -141.024 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: 6, replica: 6 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1614.330337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.330337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.330337 (E_RNA) where: Base-Base interactions energy: -1118.227 where: short stacking energy: -440.440 Base-Backbone interact. energy: -1.213 local terms energy: -494.890694 where: bonds (distance) C4'-P energy: -78.292 bonds (distance) P-C4' energy: -115.866 flat angles C4'-P-C4' energy: -110.098 flat angles P-C4'-P energy: -74.298 tors. eta vs tors. theta energy: -116.337 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: 7, replica: 5 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1561.841522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.841522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.841522 (E_RNA) where: Base-Base interactions energy: -1075.992 where: short stacking energy: -444.582 Base-Backbone interact. energy: 0.798 local terms energy: -486.647425 where: bonds (distance) C4'-P energy: -80.247 bonds (distance) P-C4' energy: -110.757 flat angles C4'-P-C4' energy: -107.642 flat angles P-C4'-P energy: -70.671 tors. eta vs tors. theta energy: -117.331 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: 9 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1435.139562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.139562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.139562 (E_RNA) where: Base-Base interactions energy: -969.533 where: short stacking energy: -426.026 Base-Backbone interact. energy: -1.454 local terms energy: -464.152371 where: bonds (distance) C4'-P energy: -93.039 bonds (distance) P-C4' energy: -107.326 flat angles C4'-P-C4' energy: -91.652 flat angles P-C4'-P energy: -58.669 tors. eta vs tors. theta energy: -113.466 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: 9, replica: 7 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -1278.554325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.554325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.554325 (E_RNA) where: Base-Base interactions energy: -859.861 where: short stacking energy: -351.691 Base-Backbone interact. energy: -1.507 local terms energy: -417.186186 where: bonds (distance) C4'-P energy: -86.371 bonds (distance) P-C4' energy: -105.219 flat angles C4'-P-C4' energy: -90.511 flat angles P-C4'-P energy: -56.734 tors. eta vs tors. theta energy: -78.352 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: 10 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -1254.207327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.207327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.207327 (E_RNA) where: Base-Base interactions energy: -829.515 where: short stacking energy: -370.110 Base-Backbone interact. energy: 1.683 local terms energy: -426.374779 where: bonds (distance) C4'-P energy: -83.132 bonds (distance) P-C4' energy: -103.519 flat angles C4'-P-C4' energy: -91.723 flat angles P-C4'-P energy: -64.680 tors. eta vs tors. theta energy: -83.321 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: 4 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1885.480133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.480133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.480133 (E_RNA) where: Base-Base interactions energy: -1310.132 where: short stacking energy: -547.100 Base-Backbone interact. energy: -1.260 local terms energy: -574.087934 where: bonds (distance) C4'-P energy: -104.833 bonds (distance) P-C4' energy: -111.652 flat angles C4'-P-C4' energy: -117.957 flat angles P-C4'-P energy: -86.922 tors. eta vs tors. theta energy: -152.724 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: 1 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1845.618442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.618442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.618442 (E_RNA) where: Base-Base interactions energy: -1284.180 where: short stacking energy: -513.152 Base-Backbone interact. energy: -0.737 local terms energy: -560.700577 where: bonds (distance) C4'-P energy: -106.180 bonds (distance) P-C4' energy: -112.091 flat angles C4'-P-C4' energy: -115.321 flat angles P-C4'-P energy: -76.966 tors. eta vs tors. theta energy: -150.142 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: 3 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1825.871097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.871097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.871097 (E_RNA) where: Base-Base interactions energy: -1277.874 where: short stacking energy: -541.055 Base-Backbone interact. energy: 0.570 local terms energy: -548.567558 where: bonds (distance) C4'-P energy: -92.907 bonds (distance) P-C4' energy: -108.560 flat angles C4'-P-C4' energy: -115.674 flat angles P-C4'-P energy: -81.160 tors. eta vs tors. theta energy: -150.267 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: 4, replica: 2 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1780.424744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.424744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.424744 (E_RNA) where: Base-Base interactions energy: -1259.317 where: short stacking energy: -509.359 Base-Backbone interact. energy: 2.226 local terms energy: -523.333544 where: bonds (distance) C4'-P energy: -88.921 bonds (distance) P-C4' energy: -110.527 flat angles C4'-P-C4' energy: -112.797 flat angles P-C4'-P energy: -69.070 tors. eta vs tors. theta energy: -142.019 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: 8 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1748.068337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.068337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.068337 (E_RNA) where: Base-Base interactions energy: -1227.800 where: short stacking energy: -495.838 Base-Backbone interact. energy: -0.324 local terms energy: -519.945202 where: bonds (distance) C4'-P energy: -90.819 bonds (distance) P-C4' energy: -104.252 flat angles C4'-P-C4' energy: -112.033 flat angles P-C4'-P energy: -78.162 tors. eta vs tors. theta energy: -134.679 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: 6 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1588.800012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.800012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.800012 (E_RNA) where: Base-Base interactions energy: -1092.732 where: short stacking energy: -455.108 Base-Backbone interact. energy: 2.136 local terms energy: -498.203952 where: bonds (distance) C4'-P energy: -96.478 bonds (distance) P-C4' energy: -101.415 flat angles C4'-P-C4' energy: -112.847 flat angles P-C4'-P energy: -73.693 tors. eta vs tors. theta energy: -113.770 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: 7, replica: 5 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1552.602645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.602645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.602645 (E_RNA) where: Base-Base interactions energy: -1112.300 where: short stacking energy: -467.101 Base-Backbone interact. energy: 4.273 local terms energy: -444.575806 where: bonds (distance) C4'-P energy: -91.153 bonds (distance) P-C4' energy: -95.441 flat angles C4'-P-C4' energy: -91.722 flat angles P-C4'-P energy: -57.892 tors. eta vs tors. theta energy: -108.366 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: 8, replica: 9 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1404.301143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.301143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.301143 (E_RNA) where: Base-Base interactions energy: -951.101 where: short stacking energy: -417.395 Base-Backbone interact. energy: 0.375 local terms energy: -453.574872 where: bonds (distance) C4'-P energy: -93.436 bonds (distance) P-C4' energy: -106.570 flat angles C4'-P-C4' energy: -103.716 flat angles P-C4'-P energy: -51.489 tors. eta vs tors. theta energy: -98.364 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: 9, replica: 10 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -1273.840874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.840874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.840874 (E_RNA) where: Base-Base interactions energy: -844.450 where: short stacking energy: -361.494 Base-Backbone interact. energy: 5.178 local terms energy: -434.569212 where: bonds (distance) C4'-P energy: -83.904 bonds (distance) P-C4' energy: -98.578 flat angles C4'-P-C4' energy: -100.015 flat angles P-C4'-P energy: -74.217 tors. eta vs tors. theta energy: -77.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -1188.574922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.574922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.574922 (E_RNA) where: Base-Base interactions energy: -817.850 where: short stacking energy: -328.809 Base-Backbone interact. energy: -1.032 local terms energy: -369.692720 where: bonds (distance) C4'-P energy: -76.192 bonds (distance) P-C4' energy: -90.867 flat angles C4'-P-C4' energy: -81.481 flat angles P-C4'-P energy: -59.685 tors. eta vs tors. theta energy: -61.467 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: 4 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1887.609054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.609054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.609054 (E_RNA) where: Base-Base interactions energy: -1329.303 where: short stacking energy: -551.997 Base-Backbone interact. energy: -1.465 local terms energy: -556.840748 where: bonds (distance) C4'-P energy: -97.521 bonds (distance) P-C4' energy: -119.207 flat angles C4'-P-C4' energy: -106.785 flat angles P-C4'-P energy: -75.050 tors. eta vs tors. theta energy: -158.279 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: 2, replica: 1 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1854.592978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.592978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.592978 (E_RNA) where: Base-Base interactions energy: -1310.983 where: short stacking energy: -560.411 Base-Backbone interact. energy: 0.901 local terms energy: -544.511034 where: bonds (distance) C4'-P energy: -89.264 bonds (distance) P-C4' energy: -104.657 flat angles C4'-P-C4' energy: -120.693 flat angles P-C4'-P energy: -76.209 tors. eta vs tors. theta energy: -153.688 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: 3, replica: 3 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1794.912536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.912536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.912536 (E_RNA) where: Base-Base interactions energy: -1270.683 where: short stacking energy: -533.616 Base-Backbone interact. energy: -0.314 local terms energy: -523.915189 where: bonds (distance) C4'-P energy: -93.986 bonds (distance) P-C4' energy: -95.446 flat angles C4'-P-C4' energy: -109.380 flat angles P-C4'-P energy: -80.839 tors. eta vs tors. theta energy: -144.264 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: 4, replica: 8 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1741.997635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.997635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.997635 (E_RNA) where: Base-Base interactions energy: -1219.351 where: short stacking energy: -507.770 Base-Backbone interact. energy: 7.651 local terms energy: -530.296926 where: bonds (distance) C4'-P energy: -90.407 bonds (distance) P-C4' energy: -102.568 flat angles C4'-P-C4' energy: -116.613 flat angles P-C4'-P energy: -81.800 tors. eta vs tors. theta energy: -138.908 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: 5, replica: 2 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1715.864150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.864150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.864150 (E_RNA) where: Base-Base interactions energy: -1192.483 where: short stacking energy: -478.584 Base-Backbone interact. energy: 1.076 local terms energy: -524.456384 where: bonds (distance) C4'-P energy: -95.697 bonds (distance) P-C4' energy: -110.895 flat angles C4'-P-C4' energy: -109.430 flat angles P-C4'-P energy: -73.730 tors. eta vs tors. theta energy: -134.705 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: 6, replica: 6 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1648.991166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.991166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.991166 (E_RNA) where: Base-Base interactions energy: -1141.272 where: short stacking energy: -484.235 Base-Backbone interact. energy: -0.116 local terms energy: -507.603573 where: bonds (distance) C4'-P energy: -96.291 bonds (distance) P-C4' energy: -107.453 flat angles C4'-P-C4' energy: -98.853 flat angles P-C4'-P energy: -71.325 tors. eta vs tors. theta energy: -133.681 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: 5 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1582.626799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.626799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.626799 (E_RNA) where: Base-Base interactions energy: -1098.990 where: short stacking energy: -458.645 Base-Backbone interact. energy: 2.538 local terms energy: -486.174982 where: bonds (distance) C4'-P energy: -86.040 bonds (distance) P-C4' energy: -109.217 flat angles C4'-P-C4' energy: -100.988 flat angles P-C4'-P energy: -71.349 tors. eta vs tors. theta energy: -118.581 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: 9 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1386.229730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.229730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.229730 (E_RNA) where: Base-Base interactions energy: -922.898 where: short stacking energy: -412.848 Base-Backbone interact. energy: 1.402 local terms energy: -464.732871 where: bonds (distance) C4'-P energy: -97.712 bonds (distance) P-C4' energy: -106.293 flat angles C4'-P-C4' energy: -92.089 flat angles P-C4'-P energy: -64.999 tors. eta vs tors. theta energy: -103.641 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: 10 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -1275.064934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.064934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.064934 (E_RNA) where: Base-Base interactions energy: -856.920 where: short stacking energy: -353.941 Base-Backbone interact. energy: -2.055 local terms energy: -416.089015 where: bonds (distance) C4'-P energy: -75.661 bonds (distance) P-C4' energy: -109.178 flat angles C4'-P-C4' energy: -85.879 flat angles P-C4'-P energy: -70.950 tors. eta vs tors. theta energy: -74.421 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: 10, replica: 7 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -1162.989064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.989064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.989064 (E_RNA) where: Base-Base interactions energy: -782.941 where: short stacking energy: -335.474 Base-Backbone interact. energy: -3.132 local terms energy: -376.916402 where: bonds (distance) C4'-P energy: -79.887 bonds (distance) P-C4' energy: -104.330 flat angles C4'-P-C4' energy: -85.760 flat angles P-C4'-P energy: -50.549 tors. eta vs tors. theta energy: -56.391 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: 1, replica: 4 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1866.819014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.819014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.819014 (E_RNA) where: Base-Base interactions energy: -1299.405 where: short stacking energy: -531.630 Base-Backbone interact. energy: -0.029 local terms energy: -567.385017 where: bonds (distance) C4'-P energy: -104.106 bonds (distance) P-C4' energy: -112.560 flat angles C4'-P-C4' energy: -117.435 flat angles P-C4'-P energy: -86.124 tors. eta vs tors. theta energy: -147.159 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: 2, replica: 1 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1828.760747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.760747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.760747 (E_RNA) where: Base-Base interactions energy: -1270.766 where: short stacking energy: -524.639 Base-Backbone interact. energy: -1.690 local terms energy: -556.304971 where: bonds (distance) C4'-P energy: -98.059 bonds (distance) P-C4' energy: -113.994 flat angles C4'-P-C4' energy: -110.463 flat angles P-C4'-P energy: -90.225 tors. eta vs tors. theta energy: -143.564 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: 3 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1784.656845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.656845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.656845 (E_RNA) where: Base-Base interactions energy: -1251.274 where: short stacking energy: -531.785 Base-Backbone interact. energy: -0.360 local terms energy: -533.022813 where: bonds (distance) C4'-P energy: -87.839 bonds (distance) P-C4' energy: -113.522 flat angles C4'-P-C4' energy: -107.653 flat angles P-C4'-P energy: -74.663 tors. eta vs tors. theta energy: -149.346 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: 8 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1778.440138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.440138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.440138 (E_RNA) where: Base-Base interactions energy: -1244.407 where: short stacking energy: -511.303 Base-Backbone interact. energy: -2.065 local terms energy: -531.968123 where: bonds (distance) C4'-P energy: -102.078 bonds (distance) P-C4' energy: -107.764 flat angles C4'-P-C4' energy: -111.448 flat angles P-C4'-P energy: -69.414 tors. eta vs tors. theta energy: -141.264 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: 5, replica: 2 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1726.732070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.732070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.732070 (E_RNA) where: Base-Base interactions energy: -1207.156 where: short stacking energy: -493.127 Base-Backbone interact. energy: -1.745 local terms energy: -517.830740 where: bonds (distance) C4'-P energy: -95.679 bonds (distance) P-C4' energy: -110.575 flat angles C4'-P-C4' energy: -104.466 flat angles P-C4'-P energy: -74.938 tors. eta vs tors. theta energy: -132.173 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: 6 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1616.127754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.127754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.127754 (E_RNA) where: Base-Base interactions energy: -1133.765 where: short stacking energy: -458.895 Base-Backbone interact. energy: -0.027 local terms energy: -482.335831 where: bonds (distance) C4'-P energy: -82.452 bonds (distance) P-C4' energy: -93.766 flat angles C4'-P-C4' energy: -102.846 flat angles P-C4'-P energy: -83.893 tors. eta vs tors. theta energy: -119.379 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: 5 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1572.412023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.412023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.412023 (E_RNA) where: Base-Base interactions energy: -1074.864 where: short stacking energy: -449.817 Base-Backbone interact. energy: 0.473 local terms energy: -498.021294 where: bonds (distance) C4'-P energy: -90.024 bonds (distance) P-C4' energy: -98.371 flat angles C4'-P-C4' energy: -115.864 flat angles P-C4'-P energy: -72.783 tors. eta vs tors. theta energy: -120.979 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: 8, replica: 9 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1372.963161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.963161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.963161 (E_RNA) where: Base-Base interactions energy: -931.108 where: short stacking energy: -401.524 Base-Backbone interact. energy: -0.560 local terms energy: -441.295224 where: bonds (distance) C4'-P energy: -88.616 bonds (distance) P-C4' energy: -97.973 flat angles C4'-P-C4' energy: -92.466 flat angles P-C4'-P energy: -63.401 tors. eta vs tors. theta energy: -98.839 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: 10 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -1253.572974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.572974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.572974 (E_RNA) where: Base-Base interactions energy: -826.993 where: short stacking energy: -366.530 Base-Backbone interact. energy: 0.362 local terms energy: -426.941316 where: bonds (distance) C4'-P energy: -84.854 bonds (distance) P-C4' energy: -108.620 flat angles C4'-P-C4' energy: -85.655 flat angles P-C4'-P energy: -57.750 tors. eta vs tors. theta energy: -90.062 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: 7 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -1158.383416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.383416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.383416 (E_RNA) where: Base-Base interactions energy: -753.376 where: short stacking energy: -326.341 Base-Backbone interact. energy: 0.450 local terms energy: -405.457466 where: bonds (distance) C4'-P energy: -84.038 bonds (distance) P-C4' energy: -95.476 flat angles C4'-P-C4' energy: -93.512 flat angles P-C4'-P energy: -58.398 tors. eta vs tors. theta energy: -74.032 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: 1, replica: 4 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1863.569647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.569647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.569647 (E_RNA) where: Base-Base interactions energy: -1310.605 where: short stacking energy: -533.548 Base-Backbone interact. energy: -0.455 local terms energy: -552.509950 where: bonds (distance) C4'-P energy: -101.728 bonds (distance) P-C4' energy: -103.377 flat angles C4'-P-C4' energy: -115.149 flat angles P-C4'-P energy: -85.616 tors. eta vs tors. theta energy: -146.640 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: 2, replica: 3 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1847.700997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.700997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.700997 (E_RNA) where: Base-Base interactions energy: -1289.988 where: short stacking energy: -545.091 Base-Backbone interact. energy: 1.473 local terms energy: -559.186196 where: bonds (distance) C4'-P energy: -95.724 bonds (distance) P-C4' energy: -106.766 flat angles C4'-P-C4' energy: -116.014 flat angles P-C4'-P energy: -83.461 tors. eta vs tors. theta energy: -157.222 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: 3, replica: 1 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1792.565408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.565408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.565408 (E_RNA) where: Base-Base interactions energy: -1263.904 where: short stacking energy: -515.017 Base-Backbone interact. energy: -0.616 local terms energy: -528.045438 where: bonds (distance) C4'-P energy: -96.156 bonds (distance) P-C4' energy: -101.855 flat angles C4'-P-C4' energy: -118.232 flat angles P-C4'-P energy: -65.359 tors. eta vs tors. theta energy: -146.443 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: 4, replica: 8 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1752.040547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.040547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.040547 (E_RNA) where: Base-Base interactions energy: -1227.555 where: short stacking energy: -493.657 Base-Backbone interact. energy: 4.085 local terms energy: -528.570375 where: bonds (distance) C4'-P energy: -92.813 bonds (distance) P-C4' energy: -116.367 flat angles C4'-P-C4' energy: -102.821 flat angles P-C4'-P energy: -83.218 tors. eta vs tors. theta energy: -133.351 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: 5, replica: 2 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1739.761695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.761695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.761695 (E_RNA) where: Base-Base interactions energy: -1234.867 where: short stacking energy: -521.493 Base-Backbone interact. energy: -0.825 local terms energy: -504.069410 where: bonds (distance) C4'-P energy: -80.203 bonds (distance) P-C4' energy: -102.593 flat angles C4'-P-C4' energy: -106.188 flat angles P-C4'-P energy: -72.619 tors. eta vs tors. theta energy: -142.467 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: 5 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1607.971125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.971125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.971125 (E_RNA) where: Base-Base interactions energy: -1101.193 where: short stacking energy: -464.455 Base-Backbone interact. energy: 2.352 local terms energy: -509.129684 where: bonds (distance) C4'-P energy: -94.980 bonds (distance) P-C4' energy: -109.593 flat angles C4'-P-C4' energy: -98.404 flat angles P-C4'-P energy: -73.132 tors. eta vs tors. theta energy: -133.021 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: 7, replica: 6 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1581.600499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.600499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.600499 (E_RNA) where: Base-Base interactions energy: -1113.376 where: short stacking energy: -441.501 Base-Backbone interact. energy: 2.102 local terms energy: -470.325890 where: bonds (distance) C4'-P energy: -80.542 bonds (distance) P-C4' energy: -106.983 flat angles C4'-P-C4' energy: -106.860 flat angles P-C4'-P energy: -61.121 tors. eta vs tors. theta energy: -114.821 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: 9 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1384.525113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.525113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.525113 (E_RNA) where: Base-Base interactions energy: -930.234 where: short stacking energy: -401.816 Base-Backbone interact. energy: 2.526 local terms energy: -456.817117 where: bonds (distance) C4'-P energy: -95.777 bonds (distance) P-C4' energy: -98.348 flat angles C4'-P-C4' energy: -103.202 flat angles P-C4'-P energy: -71.407 tors. eta vs tors. theta energy: -88.083 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: 9, replica: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -1270.975595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.975595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.975595 (E_RNA) where: Base-Base interactions energy: -856.465 where: short stacking energy: -360.531 Base-Backbone interact. energy: 4.593 local terms energy: -419.104033 where: bonds (distance) C4'-P energy: -91.757 bonds (distance) P-C4' energy: -92.009 flat angles C4'-P-C4' energy: -85.644 flat angles P-C4'-P energy: -68.441 tors. eta vs tors. theta energy: -81.253 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: 7 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -1114.606630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.606630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.606630 (E_RNA) where: Base-Base interactions energy: -723.611 where: short stacking energy: -344.580 Base-Backbone interact. energy: -1.862 local terms energy: -389.133949 where: bonds (distance) C4'-P energy: -97.315 bonds (distance) P-C4' energy: -84.408 flat angles C4'-P-C4' energy: -86.770 flat angles P-C4'-P energy: -56.073 tors. eta vs tors. theta energy: -64.567 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: 1, replica: 3 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1887.994091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.994091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.994091 (E_RNA) where: Base-Base interactions energy: -1314.131 where: short stacking energy: -554.929 Base-Backbone interact. energy: -2.436 local terms energy: -571.426945 where: bonds (distance) C4'-P energy: -94.174 bonds (distance) P-C4' energy: -108.394 flat angles C4'-P-C4' energy: -124.057 flat angles P-C4'-P energy: -78.703 tors. eta vs tors. theta energy: -166.099 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: 4 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1835.334884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.334884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.334884 (E_RNA) where: Base-Base interactions energy: -1290.771 where: short stacking energy: -527.447 Base-Backbone interact. energy: 1.804 local terms energy: -546.368542 where: bonds (distance) C4'-P energy: -102.175 bonds (distance) P-C4' energy: -106.296 flat angles C4'-P-C4' energy: -116.082 flat angles P-C4'-P energy: -71.611 tors. eta vs tors. theta energy: -150.204 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: 3, replica: 1 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1786.308847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.308847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.308847 (E_RNA) where: Base-Base interactions energy: -1267.133 where: short stacking energy: -507.582 Base-Backbone interact. energy: -1.441 local terms energy: -517.734842 where: bonds (distance) C4'-P energy: -86.279 bonds (distance) P-C4' energy: -94.060 flat angles C4'-P-C4' energy: -121.868 flat angles P-C4'-P energy: -72.823 tors. eta vs tors. theta energy: -142.705 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: 4, replica: 8 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1793.427415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.427415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.427415 (E_RNA) where: Base-Base interactions energy: -1252.651 where: short stacking energy: -519.523 Base-Backbone interact. energy: 1.583 local terms energy: -542.359442 where: bonds (distance) C4'-P energy: -96.357 bonds (distance) P-C4' energy: -101.912 flat angles C4'-P-C4' energy: -115.805 flat angles P-C4'-P energy: -77.834 tors. eta vs tors. theta energy: -150.451 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: 2 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1733.484581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.484581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.484581 (E_RNA) where: Base-Base interactions energy: -1212.768 where: short stacking energy: -492.898 Base-Backbone interact. energy: 4.477 local terms energy: -525.193214 where: bonds (distance) C4'-P energy: -92.073 bonds (distance) P-C4' energy: -109.379 flat angles C4'-P-C4' energy: -104.367 flat angles P-C4'-P energy: -77.486 tors. eta vs tors. theta energy: -141.888 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: 5 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1581.591454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.591454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.591454 (E_RNA) where: Base-Base interactions energy: -1071.937 where: short stacking energy: -433.072 Base-Backbone interact. energy: -1.485 local terms energy: -508.169457 where: bonds (distance) C4'-P energy: -96.075 bonds (distance) P-C4' energy: -119.099 flat angles C4'-P-C4' energy: -102.978 flat angles P-C4'-P energy: -72.561 tors. eta vs tors. theta energy: -117.456 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: 6 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1564.618728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.618728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.618728 (E_RNA) where: Base-Base interactions energy: -1086.149 where: short stacking energy: -432.718 Base-Backbone interact. energy: 0.061 local terms energy: -478.531521 where: bonds (distance) C4'-P energy: -90.287 bonds (distance) P-C4' energy: -100.670 flat angles C4'-P-C4' energy: -103.900 flat angles P-C4'-P energy: -75.575 tors. eta vs tors. theta energy: -108.100 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: 8, replica: 9 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1366.525490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.525490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.525490 (E_RNA) where: Base-Base interactions energy: -957.976 where: short stacking energy: -409.216 Base-Backbone interact. energy: 7.232 local terms energy: -415.782091 where: bonds (distance) C4'-P energy: -77.917 bonds (distance) P-C4' energy: -105.571 flat angles C4'-P-C4' energy: -82.906 flat angles P-C4'-P energy: -60.988 tors. eta vs tors. theta energy: -88.400 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: 9, replica: 10 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -1290.855041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.855041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.855041 (E_RNA) where: Base-Base interactions energy: -863.463 where: short stacking energy: -350.692 Base-Backbone interact. energy: -1.561 local terms energy: -425.830820 where: bonds (distance) C4'-P energy: -91.850 bonds (distance) P-C4' energy: -102.882 flat angles C4'-P-C4' energy: -93.128 flat angles P-C4'-P energy: -59.579 tors. eta vs tors. theta energy: -78.391 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: 7 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -1097.639382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.639382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.639382 (E_RNA) where: Base-Base interactions energy: -695.663 where: short stacking energy: -323.180 Base-Backbone interact. energy: -1.718 local terms energy: -400.258983 where: bonds (distance) C4'-P energy: -80.845 bonds (distance) P-C4' energy: -99.098 flat angles C4'-P-C4' energy: -93.327 flat angles P-C4'-P energy: -58.718 tors. eta vs tors. theta energy: -68.273 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: 1, replica: 3 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1898.441748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.441748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.441748 (E_RNA) where: Base-Base interactions energy: -1321.886 where: short stacking energy: -568.149 Base-Backbone interact. energy: 1.063 local terms energy: -577.618732 where: bonds (distance) C4'-P energy: -101.277 bonds (distance) P-C4' energy: -111.598 flat angles C4'-P-C4' energy: -120.312 flat angles P-C4'-P energy: -84.983 tors. eta vs tors. theta energy: -159.449 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: 4 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1859.632077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.632077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.632077 (E_RNA) where: Base-Base interactions energy: -1295.841 where: short stacking energy: -531.277 Base-Backbone interact. energy: 2.088 local terms energy: -565.879732 where: bonds (distance) C4'-P energy: -95.620 bonds (distance) P-C4' energy: -116.033 flat angles C4'-P-C4' energy: -116.075 flat angles P-C4'-P energy: -82.720 tors. eta vs tors. theta energy: -155.432 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: 3, replica: 1 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1821.561856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.561856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.561856 (E_RNA) where: Base-Base interactions energy: -1264.273 where: short stacking energy: -531.473 Base-Backbone interact. energy: -2.598 local terms energy: -554.690678 where: bonds (distance) C4'-P energy: -100.927 bonds (distance) P-C4' energy: -113.889 flat angles C4'-P-C4' energy: -106.481 flat angles P-C4'-P energy: -83.142 tors. eta vs tors. theta energy: -150.252 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: 8 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1790.192423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.192423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.192423 (E_RNA) where: Base-Base interactions energy: -1243.142 where: short stacking energy: -524.572 Base-Backbone interact. energy: 1.377 local terms energy: -548.426657 where: bonds (distance) C4'-P energy: -100.171 bonds (distance) P-C4' energy: -103.613 flat angles C4'-P-C4' energy: -115.671 flat angles P-C4'-P energy: -78.385 tors. eta vs tors. theta energy: -150.587 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: 5, replica: 2 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1729.310210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.310210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.310210 (E_RNA) where: Base-Base interactions energy: -1199.566 where: short stacking energy: -487.052 Base-Backbone interact. energy: 3.710 local terms energy: -533.453891 where: bonds (distance) C4'-P energy: -92.148 bonds (distance) P-C4' energy: -109.362 flat angles C4'-P-C4' energy: -113.100 flat angles P-C4'-P energy: -68.934 tors. eta vs tors. theta energy: -149.910 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: 6 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1640.080696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.080696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.080696 (E_RNA) where: Base-Base interactions energy: -1142.576 where: short stacking energy: -464.940 Base-Backbone interact. energy: 0.892 local terms energy: -498.397353 where: bonds (distance) C4'-P energy: -91.663 bonds (distance) P-C4' energy: -111.314 flat angles C4'-P-C4' energy: -98.669 flat angles P-C4'-P energy: -70.235 tors. eta vs tors. theta energy: -126.517 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: 7, replica: 5 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1560.360760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.360760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.360760 (E_RNA) where: Base-Base interactions energy: -1048.686 where: short stacking energy: -431.718 Base-Backbone interact. energy: 6.284 local terms energy: -517.958520 where: bonds (distance) C4'-P energy: -105.293 bonds (distance) P-C4' energy: -102.447 flat angles C4'-P-C4' energy: -103.450 flat angles P-C4'-P energy: -80.921 tors. eta vs tors. theta energy: -125.847 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: 9 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1413.915313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.915313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.915313 (E_RNA) where: Base-Base interactions energy: -961.332 where: short stacking energy: -409.687 Base-Backbone interact. energy: 1.077 local terms energy: -453.660968 where: bonds (distance) C4'-P energy: -88.650 bonds (distance) P-C4' energy: -106.813 flat angles C4'-P-C4' energy: -94.226 flat angles P-C4'-P energy: -65.376 tors. eta vs tors. theta energy: -98.597 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: 9, replica: 10 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -1282.037469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.037469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.037469 (E_RNA) where: Base-Base interactions energy: -873.381 where: short stacking energy: -392.387 Base-Backbone interact. energy: 4.487 local terms energy: -413.143069 where: bonds (distance) C4'-P energy: -87.116 bonds (distance) P-C4' energy: -93.231 flat angles C4'-P-C4' energy: -89.110 flat angles P-C4'-P energy: -53.993 tors. eta vs tors. theta energy: -89.693 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: 10, replica: 7 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -1120.865100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.865100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.865100 (E_RNA) where: Base-Base interactions energy: -743.474 where: short stacking energy: -305.203 Base-Backbone interact. energy: 2.491 local terms energy: -379.882030 where: bonds (distance) C4'-P energy: -73.602 bonds (distance) P-C4' energy: -97.992 flat angles C4'-P-C4' energy: -95.230 flat angles P-C4'-P energy: -63.681 tors. eta vs tors. theta energy: -49.378 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: 3 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1901.940448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.940448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.940448 (E_RNA) where: Base-Base interactions energy: -1306.731 where: short stacking energy: -550.803 Base-Backbone interact. energy: 1.775 local terms energy: -596.984845 where: bonds (distance) C4'-P energy: -103.884 bonds (distance) P-C4' energy: -114.068 flat angles C4'-P-C4' energy: -124.930 flat angles P-C4'-P energy: -86.742 tors. eta vs tors. theta energy: -167.360 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: 4 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1832.138406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.138406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.138406 (E_RNA) where: Base-Base interactions energy: -1274.000 where: short stacking energy: -542.503 Base-Backbone interact. energy: 0.585 local terms energy: -558.723624 where: bonds (distance) C4'-P energy: -105.601 bonds (distance) P-C4' energy: -106.154 flat angles C4'-P-C4' energy: -119.088 flat angles P-C4'-P energy: -76.350 tors. eta vs tors. theta energy: -151.531 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: 1 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1820.136102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.136102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.136102 (E_RNA) where: Base-Base interactions energy: -1267.370 where: short stacking energy: -539.371 Base-Backbone interact. energy: -0.469 local terms energy: -552.296988 where: bonds (distance) C4'-P energy: -103.191 bonds (distance) P-C4' energy: -113.355 flat angles C4'-P-C4' energy: -113.707 flat angles P-C4'-P energy: -76.271 tors. eta vs tors. theta energy: -145.773 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: 8 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1767.301623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.301623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.301623 (E_RNA) where: Base-Base interactions energy: -1238.372 where: short stacking energy: -525.524 Base-Backbone interact. energy: -0.333 local terms energy: -528.596532 where: bonds (distance) C4'-P energy: -96.606 bonds (distance) P-C4' energy: -110.460 flat angles C4'-P-C4' energy: -109.033 flat angles P-C4'-P energy: -63.141 tors. eta vs tors. theta energy: -149.356 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: 56 Temperature: 1.100000 Total energy: -1717.692181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.692181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.692181 (E_RNA) where: Base-Base interactions energy: -1196.904 where: short stacking energy: -502.477 Base-Backbone interact. energy: 2.825 local terms energy: -523.612685 where: bonds (distance) C4'-P energy: -77.123 bonds (distance) P-C4' energy: -117.102 flat angles C4'-P-C4' energy: -115.299 flat angles P-C4'-P energy: -72.947 tors. eta vs tors. theta energy: -141.141 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: 6 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1639.077659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.077659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.077659 (E_RNA) where: Base-Base interactions energy: -1163.654 where: short stacking energy: -494.864 Base-Backbone interact. energy: -0.495 local terms energy: -474.928081 where: bonds (distance) C4'-P energy: -92.306 bonds (distance) P-C4' energy: -93.873 flat angles C4'-P-C4' energy: -106.415 flat angles P-C4'-P energy: -56.212 tors. eta vs tors. theta energy: -126.121 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: 7, replica: 5 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1562.275035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.275035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.275035 (E_RNA) where: Base-Base interactions energy: -1069.879 where: short stacking energy: -460.045 Base-Backbone interact. energy: -1.651 local terms energy: -490.745017 where: bonds (distance) C4'-P energy: -97.745 bonds (distance) P-C4' energy: -100.417 flat angles C4'-P-C4' energy: -105.471 flat angles P-C4'-P energy: -64.203 tors. eta vs tors. theta energy: -122.909 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: 8, replica: 9 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1412.109612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.109612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.109612 (E_RNA) where: Base-Base interactions energy: -972.273 where: short stacking energy: -403.561 Base-Backbone interact. energy: 1.397 local terms energy: -441.234117 where: bonds (distance) C4'-P energy: -71.800 bonds (distance) P-C4' energy: -92.245 flat angles C4'-P-C4' energy: -105.299 flat angles P-C4'-P energy: -60.717 tors. eta vs tors. theta energy: -111.172 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: 10 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -1272.423233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.423233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.423233 (E_RNA) where: Base-Base interactions energy: -866.665 where: short stacking energy: -364.147 Base-Backbone interact. energy: 0.303 local terms energy: -406.061566 where: bonds (distance) C4'-P energy: -79.849 bonds (distance) P-C4' energy: -103.852 flat angles C4'-P-C4' energy: -97.379 flat angles P-C4'-P energy: -44.663 tors. eta vs tors. theta energy: -80.319 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: 10, replica: 7 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -1106.676169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.676169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.676169 (E_RNA) where: Base-Base interactions energy: -700.733 where: short stacking energy: -307.578 Base-Backbone interact. energy: -3.008 local terms energy: -402.935334 where: bonds (distance) C4'-P energy: -80.204 bonds (distance) P-C4' energy: -105.990 flat angles C4'-P-C4' energy: -82.282 flat angles P-C4'-P energy: -63.093 tors. eta vs tors. theta energy: -71.366 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: 3 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1926.063961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.063961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.063961 (E_RNA) where: Base-Base interactions energy: -1342.635 where: short stacking energy: -570.651 Base-Backbone interact. energy: -1.681 local terms energy: -581.748020 where: bonds (distance) C4'-P energy: -97.028 bonds (distance) P-C4' energy: -115.302 flat angles C4'-P-C4' energy: -121.356 flat angles P-C4'-P energy: -85.439 tors. eta vs tors. theta energy: -162.623 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: 1 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1854.440685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.440685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.440685 (E_RNA) where: Base-Base interactions energy: -1289.663 where: short stacking energy: -546.797 Base-Backbone interact. energy: -1.010 local terms energy: -563.766839 where: bonds (distance) C4'-P energy: -99.473 bonds (distance) P-C4' energy: -115.909 flat angles C4'-P-C4' energy: -116.069 flat angles P-C4'-P energy: -80.897 tors. eta vs tors. theta energy: -151.419 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: 3, replica: 4 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1827.404156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.404156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.404156 (E_RNA) where: Base-Base interactions energy: -1290.810 where: short stacking energy: -526.036 Base-Backbone interact. energy: -2.794 local terms energy: -533.799684 where: bonds (distance) C4'-P energy: -90.118 bonds (distance) P-C4' energy: -112.804 flat angles C4'-P-C4' energy: -109.302 flat angles P-C4'-P energy: -78.088 tors. eta vs tors. theta energy: -143.488 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: 8 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1791.069459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.069459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.069459 (E_RNA) where: Base-Base interactions energy: -1247.084 where: short stacking energy: -503.955 Base-Backbone interact. energy: 3.104 local terms energy: -547.088891 where: bonds (distance) C4'-P energy: -95.564 bonds (distance) P-C4' energy: -113.116 flat angles C4'-P-C4' energy: -107.616 flat angles P-C4'-P energy: -81.157 tors. eta vs tors. theta energy: -149.637 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: 5, replica: 2 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1671.354127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.354127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.354127 (E_RNA) where: Base-Base interactions energy: -1158.487 where: short stacking energy: -474.897 Base-Backbone interact. energy: 0.659 local terms energy: -513.526263 where: bonds (distance) C4'-P energy: -83.546 bonds (distance) P-C4' energy: -115.408 flat angles C4'-P-C4' energy: -103.153 flat angles P-C4'-P energy: -74.832 tors. eta vs tors. theta energy: -136.587 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: 6, replica: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1662.490559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.490559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.490559 (E_RNA) where: Base-Base interactions energy: -1162.889 where: short stacking energy: -474.636 Base-Backbone interact. energy: 1.312 local terms energy: -500.913819 where: bonds (distance) C4'-P energy: -88.367 bonds (distance) P-C4' energy: -114.414 flat angles C4'-P-C4' energy: -107.776 flat angles P-C4'-P energy: -64.520 tors. eta vs tors. theta energy: -125.836 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: 5 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1568.011252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.011252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.011252 (E_RNA) where: Base-Base interactions energy: -1089.962 where: short stacking energy: -445.247 Base-Backbone interact. energy: -0.625 local terms energy: -477.425106 where: bonds (distance) C4'-P energy: -98.102 bonds (distance) P-C4' energy: -88.981 flat angles C4'-P-C4' energy: -91.526 flat angles P-C4'-P energy: -67.564 tors. eta vs tors. theta energy: -131.252 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: 8, replica: 9 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1408.347364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.347364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.347364 (E_RNA) where: Base-Base interactions energy: -946.928 where: short stacking energy: -400.785 Base-Backbone interact. energy: -0.375 local terms energy: -461.044537 where: bonds (distance) C4'-P energy: -90.258 bonds (distance) P-C4' energy: -112.906 flat angles C4'-P-C4' energy: -99.092 flat angles P-C4'-P energy: -56.136 tors. eta vs tors. theta energy: -102.654 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: 10 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -1257.755458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.755458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.755458 (E_RNA) where: Base-Base interactions energy: -847.870 where: short stacking energy: -349.678 Base-Backbone interact. energy: -1.554 local terms energy: -408.331268 where: bonds (distance) C4'-P energy: -82.072 bonds (distance) P-C4' energy: -92.700 flat angles C4'-P-C4' energy: -91.752 flat angles P-C4'-P energy: -65.432 tors. eta vs tors. theta energy: -76.376 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: 7 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -1088.967241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.967241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.967241 (E_RNA) where: Base-Base interactions energy: -702.455 where: short stacking energy: -319.581 Base-Backbone interact. energy: 0.844 local terms energy: -387.356826 where: bonds (distance) C4'-P energy: -78.492 bonds (distance) P-C4' energy: -98.470 flat angles C4'-P-C4' energy: -93.911 flat angles P-C4'-P energy: -56.498 tors. eta vs tors. theta energy: -59.986 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: 1, replica: 3 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1887.996722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.996722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.996722 (E_RNA) where: Base-Base interactions energy: -1320.947 where: short stacking energy: -560.328 Base-Backbone interact. energy: -0.799 local terms energy: -566.250811 where: bonds (distance) C4'-P energy: -102.855 bonds (distance) P-C4' energy: -115.140 flat angles C4'-P-C4' energy: -117.496 flat angles P-C4'-P energy: -77.275 tors. eta vs tors. theta energy: -153.484 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: 1 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1851.095071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.095071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.095071 (E_RNA) where: Base-Base interactions energy: -1306.324 where: short stacking energy: -551.831 Base-Backbone interact. energy: -0.925 local terms energy: -543.845732 where: bonds (distance) C4'-P energy: -96.154 bonds (distance) P-C4' energy: -106.122 flat angles C4'-P-C4' energy: -107.733 flat angles P-C4'-P energy: -77.903 tors. eta vs tors. theta energy: -155.934 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: 3, replica: 4 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1835.047744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.047744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.047744 (E_RNA) where: Base-Base interactions energy: -1279.940 where: short stacking energy: -530.312 Base-Backbone interact. energy: -3.378 local terms energy: -551.729854 where: bonds (distance) C4'-P energy: -94.236 bonds (distance) P-C4' energy: -120.086 flat angles C4'-P-C4' energy: -114.528 flat angles P-C4'-P energy: -73.116 tors. eta vs tors. theta energy: -149.764 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: 4, replica: 8 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1767.134981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.134981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.134981 (E_RNA) where: Base-Base interactions energy: -1226.595 where: short stacking energy: -532.383 Base-Backbone interact. energy: -2.994 local terms energy: -537.545716 where: bonds (distance) C4'-P energy: -106.087 bonds (distance) P-C4' energy: -107.092 flat angles C4'-P-C4' energy: -103.321 flat angles P-C4'-P energy: -72.382 tors. eta vs tors. theta energy: -148.663 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: 5, replica: 2 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1699.865461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.865461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.865461 (E_RNA) where: Base-Base interactions energy: -1189.582 where: short stacking energy: -489.803 Base-Backbone interact. energy: -1.726 local terms energy: -508.557505 where: bonds (distance) C4'-P energy: -98.842 bonds (distance) P-C4' energy: -87.967 flat angles C4'-P-C4' energy: -112.603 flat angles P-C4'-P energy: -75.732 tors. eta vs tors. theta energy: -133.414 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: 6, replica: 6 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1659.684251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.684251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.684251 (E_RNA) where: Base-Base interactions energy: -1160.294 where: short stacking energy: -460.697 Base-Backbone interact. energy: 2.239 local terms energy: -501.629096 where: bonds (distance) C4'-P energy: -97.056 bonds (distance) P-C4' energy: -97.811 flat angles C4'-P-C4' energy: -108.430 flat angles P-C4'-P energy: -68.375 tors. eta vs tors. theta energy: -129.957 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: 7, replica: 5 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1521.462352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.462352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.462352 (E_RNA) where: Base-Base interactions energy: -1052.906 where: short stacking energy: -446.403 Base-Backbone interact. energy: -1.263 local terms energy: -467.294040 where: bonds (distance) C4'-P energy: -81.555 bonds (distance) P-C4' energy: -100.718 flat angles C4'-P-C4' energy: -104.173 flat angles P-C4'-P energy: -68.109 tors. eta vs tors. theta energy: -112.739 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: 8, replica: 9 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1385.905264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.905264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.905264 (E_RNA) where: Base-Base interactions energy: -940.321 where: short stacking energy: -378.508 Base-Backbone interact. energy: 0.629 local terms energy: -446.213867 where: bonds (distance) C4'-P energy: -97.045 bonds (distance) P-C4' energy: -96.232 flat angles C4'-P-C4' energy: -99.144 flat angles P-C4'-P energy: -65.581 tors. eta vs tors. theta energy: -88.211 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: 9, replica: 10 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -1278.726161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.726161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.726161 (E_RNA) where: Base-Base interactions energy: -868.362 where: short stacking energy: -381.160 Base-Backbone interact. energy: 7.389 local terms energy: -417.752731 where: bonds (distance) C4'-P energy: -67.359 bonds (distance) P-C4' energy: -102.971 flat angles C4'-P-C4' energy: -98.980 flat angles P-C4'-P energy: -67.136 tors. eta vs tors. theta energy: -81.306 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: 7 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -1110.078589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.078589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.078589 (E_RNA) where: Base-Base interactions energy: -709.125 where: short stacking energy: -318.310 Base-Backbone interact. energy: 2.322 local terms energy: -403.274771 where: bonds (distance) C4'-P energy: -83.524 bonds (distance) P-C4' energy: -113.772 flat angles C4'-P-C4' energy: -94.889 flat angles P-C4'-P energy: -55.031 tors. eta vs tors. theta energy: -56.059 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: 1, replica: 3 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1865.919398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.919398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.919398 (E_RNA) where: Base-Base interactions energy: -1305.418 where: short stacking energy: -551.754 Base-Backbone interact. energy: -2.070 local terms energy: -558.431093 where: bonds (distance) C4'-P energy: -101.644 bonds (distance) P-C4' energy: -111.063 flat angles C4'-P-C4' energy: -121.271 flat angles P-C4'-P energy: -71.303 tors. eta vs tors. theta energy: -153.150 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: 2, replica: 4 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1842.631675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.631675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.631675 (E_RNA) where: Base-Base interactions energy: -1299.345 where: short stacking energy: -544.087 Base-Backbone interact. energy: 2.074 local terms energy: -545.361062 where: bonds (distance) C4'-P energy: -102.187 bonds (distance) P-C4' energy: -97.430 flat angles C4'-P-C4' energy: -112.215 flat angles P-C4'-P energy: -80.143 tors. eta vs tors. theta energy: -153.387 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: 3, replica: 1 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1803.184550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.184550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.184550 (E_RNA) where: Base-Base interactions energy: -1270.825 where: short stacking energy: -535.584 Base-Backbone interact. energy: 4.643 local terms energy: -537.002985 where: bonds (distance) C4'-P energy: -98.173 bonds (distance) P-C4' energy: -99.832 flat angles C4'-P-C4' energy: -115.063 flat angles P-C4'-P energy: -75.380 tors. eta vs tors. theta energy: -148.555 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: 4, replica: 8 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1808.320626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.320626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.320626 (E_RNA) where: Base-Base interactions energy: -1264.172 where: short stacking energy: -513.927 Base-Backbone interact. energy: 0.469 local terms energy: -544.617343 where: bonds (distance) C4'-P energy: -107.050 bonds (distance) P-C4' energy: -100.007 flat angles C4'-P-C4' energy: -108.059 flat angles P-C4'-P energy: -86.841 tors. eta vs tors. theta energy: -142.660 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: 5, replica: 2 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1703.391651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.391651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.391651 (E_RNA) where: Base-Base interactions energy: -1182.867 where: short stacking energy: -482.025 Base-Backbone interact. energy: 2.995 local terms energy: -523.519486 where: bonds (distance) C4'-P energy: -95.098 bonds (distance) P-C4' energy: -101.784 flat angles C4'-P-C4' energy: -114.483 flat angles P-C4'-P energy: -74.423 tors. eta vs tors. theta energy: -137.731 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: 6 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1661.650005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.650005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.650005 (E_RNA) where: Base-Base interactions energy: -1151.714 where: short stacking energy: -473.756 Base-Backbone interact. energy: -2.788 local terms energy: -507.148008 where: bonds (distance) C4'-P energy: -88.468 bonds (distance) P-C4' energy: -109.918 flat angles C4'-P-C4' energy: -108.472 flat angles P-C4'-P energy: -72.695 tors. eta vs tors. theta energy: -127.594 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: 7, replica: 5 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1539.217648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.217648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.217648 (E_RNA) where: Base-Base interactions energy: -1064.923 where: short stacking energy: -455.902 Base-Backbone interact. energy: 5.693 local terms energy: -479.987427 where: bonds (distance) C4'-P energy: -89.481 bonds (distance) P-C4' energy: -103.858 flat angles C4'-P-C4' energy: -98.778 flat angles P-C4'-P energy: -72.297 tors. eta vs tors. theta energy: -115.573 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: 8, replica: 9 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1426.132225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.132225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.132225 (E_RNA) where: Base-Base interactions energy: -985.117 where: short stacking energy: -409.100 Base-Backbone interact. energy: -0.901 local terms energy: -440.114047 where: bonds (distance) C4'-P energy: -87.652 bonds (distance) P-C4' energy: -101.582 flat angles C4'-P-C4' energy: -96.931 flat angles P-C4'-P energy: -54.817 tors. eta vs tors. theta energy: -99.132 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: 9, replica: 10 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -1264.470847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.470847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.470847 (E_RNA) where: Base-Base interactions energy: -836.775 where: short stacking energy: -368.039 Base-Backbone interact. energy: 2.477 local terms energy: -430.172708 where: bonds (distance) C4'-P energy: -89.085 bonds (distance) P-C4' energy: -109.910 flat angles C4'-P-C4' energy: -92.856 flat angles P-C4'-P energy: -63.009 tors. eta vs tors. theta energy: -75.312 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: 10, replica: 7 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -1102.622190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.622190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.622190 (E_RNA) where: Base-Base interactions energy: -721.323 where: short stacking energy: -328.180 Base-Backbone interact. energy: 10.263 local terms energy: -391.562018 where: bonds (distance) C4'-P energy: -66.633 bonds (distance) P-C4' energy: -98.645 flat angles C4'-P-C4' energy: -104.808 flat angles P-C4'-P energy: -62.579 tors. eta vs tors. theta energy: -58.897 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: 3 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1875.984992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.984992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.984992 (E_RNA) where: Base-Base interactions energy: -1314.034 where: short stacking energy: -545.479 Base-Backbone interact. energy: -1.094 local terms energy: -560.856838 where: bonds (distance) C4'-P energy: -99.428 bonds (distance) P-C4' energy: -112.732 flat angles C4'-P-C4' energy: -116.591 flat angles P-C4'-P energy: -72.501 tors. eta vs tors. theta energy: -159.605 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: 2, replica: 4 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1860.821419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.821419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.821419 (E_RNA) where: Base-Base interactions energy: -1299.202 where: short stacking energy: -550.533 Base-Backbone interact. energy: -0.478 local terms energy: -561.141925 where: bonds (distance) C4'-P energy: -105.728 bonds (distance) P-C4' energy: -101.776 flat angles C4'-P-C4' energy: -117.468 flat angles P-C4'-P energy: -77.271 tors. eta vs tors. theta energy: -158.899 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: 3, replica: 8 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1817.074255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.074255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.074255 (E_RNA) where: Base-Base interactions energy: -1282.122 where: short stacking energy: -543.425 Base-Backbone interact. energy: 2.082 local terms energy: -537.034125 where: bonds (distance) C4'-P energy: -99.316 bonds (distance) P-C4' energy: -93.883 flat angles C4'-P-C4' energy: -112.544 flat angles P-C4'-P energy: -81.625 tors. eta vs tors. theta energy: -149.665 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: 4, replica: 1 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1782.762468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.762468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.762468 (E_RNA) where: Base-Base interactions energy: -1248.378 where: short stacking energy: -520.517 Base-Backbone interact. energy: 0.609 local terms energy: -534.993904 where: bonds (distance) C4'-P energy: -99.069 bonds (distance) P-C4' energy: -105.719 flat angles C4'-P-C4' energy: -116.366 flat angles P-C4'-P energy: -70.223 tors. eta vs tors. theta energy: -143.616 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: 5, replica: 2 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1694.419962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.419962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.419962 (E_RNA) where: Base-Base interactions energy: -1186.334 where: short stacking energy: -503.904 Base-Backbone interact. energy: 4.057 local terms energy: -512.143217 where: bonds (distance) C4'-P energy: -97.838 bonds (distance) P-C4' energy: -104.536 flat angles C4'-P-C4' energy: -103.724 flat angles P-C4'-P energy: -69.010 tors. eta vs tors. theta energy: -137.035 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: 6 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1624.392604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.392604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.392604 (E_RNA) where: Base-Base interactions energy: -1136.850 where: short stacking energy: -464.719 Base-Backbone interact. energy: -0.012 local terms energy: -487.530336 where: bonds (distance) C4'-P energy: -83.103 bonds (distance) P-C4' energy: -99.266 flat angles C4'-P-C4' energy: -104.112 flat angles P-C4'-P energy: -77.757 tors. eta vs tors. theta energy: -123.293 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: 7, replica: 5 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1546.777298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.777298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.777298 (E_RNA) where: Base-Base interactions energy: -1041.583 where: short stacking energy: -439.962 Base-Backbone interact. energy: 1.458 local terms energy: -506.652781 where: bonds (distance) C4'-P energy: -104.931 bonds (distance) P-C4' energy: -109.353 flat angles C4'-P-C4' energy: -104.116 flat angles P-C4'-P energy: -75.674 tors. eta vs tors. theta energy: -112.579 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: 8, replica: 9 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1413.196387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.196387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.196387 (E_RNA) where: Base-Base interactions energy: -968.172 where: short stacking energy: -399.279 Base-Backbone interact. energy: -2.296 local terms energy: -442.729053 where: bonds (distance) C4'-P energy: -81.183 bonds (distance) P-C4' energy: -102.196 flat angles C4'-P-C4' energy: -92.708 flat angles P-C4'-P energy: -65.162 tors. eta vs tors. theta energy: -101.480 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: 9, replica: 10 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -1287.349991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.349991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.349991 (E_RNA) where: Base-Base interactions energy: -849.240 where: short stacking energy: -372.940 Base-Backbone interact. energy: -1.730 local terms energy: -436.379956 where: bonds (distance) C4'-P energy: -71.655 bonds (distance) P-C4' energy: -104.004 flat angles C4'-P-C4' energy: -101.409 flat angles P-C4'-P energy: -73.291 tors. eta vs tors. theta energy: -86.021 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: 7 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -1105.122492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.122492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.122492 (E_RNA) where: Base-Base interactions energy: -706.109 where: short stacking energy: -326.910 Base-Backbone interact. energy: 0.604 local terms energy: -399.617760 where: bonds (distance) C4'-P energy: -71.728 bonds (distance) P-C4' energy: -104.664 flat angles C4'-P-C4' energy: -94.995 flat angles P-C4'-P energy: -65.421 tors. eta vs tors. theta energy: -62.810 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: 3 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1883.685552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.685552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.685552 (E_RNA) where: Base-Base interactions energy: -1325.450 where: short stacking energy: -559.508 Base-Backbone interact. energy: -0.236 local terms energy: -557.999898 where: bonds (distance) C4'-P energy: -88.799 bonds (distance) P-C4' energy: -99.658 flat angles C4'-P-C4' energy: -122.320 flat angles P-C4'-P energy: -85.320 tors. eta vs tors. theta energy: -161.904 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: 4 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1824.019266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.019266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.019266 (E_RNA) where: Base-Base interactions energy: -1257.995 where: short stacking energy: -514.450 Base-Backbone interact. energy: -0.257 local terms energy: -565.767390 where: bonds (distance) C4'-P energy: -101.054 bonds (distance) P-C4' energy: -121.060 flat angles C4'-P-C4' energy: -107.403 flat angles P-C4'-P energy: -90.107 tors. eta vs tors. theta energy: -146.143 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: 3, replica: 8 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1802.596153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.596153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.596153 (E_RNA) where: Base-Base interactions energy: -1255.991 where: short stacking energy: -530.240 Base-Backbone interact. energy: 1.029 local terms energy: -547.633973 where: bonds (distance) C4'-P energy: -100.687 bonds (distance) P-C4' energy: -114.961 flat angles C4'-P-C4' energy: -107.605 flat angles P-C4'-P energy: -80.773 tors. eta vs tors. theta energy: -143.608 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: 4, replica: 1 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1772.163534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.163534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.163534 (E_RNA) where: Base-Base interactions energy: -1230.520 where: short stacking energy: -515.842 Base-Backbone interact. energy: 3.338 local terms energy: -544.981983 where: bonds (distance) C4'-P energy: -91.744 bonds (distance) P-C4' energy: -107.109 flat angles C4'-P-C4' energy: -117.160 flat angles P-C4'-P energy: -82.666 tors. eta vs tors. theta energy: -146.302 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: 61 Temperature: 1.100000 Total energy: -1703.203551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.203551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.203551 (E_RNA) where: Base-Base interactions energy: -1187.269 where: short stacking energy: -494.312 Base-Backbone interact. energy: 0.818 local terms energy: -516.751719 where: bonds (distance) C4'-P energy: -92.405 bonds (distance) P-C4' energy: -107.526 flat angles C4'-P-C4' energy: -106.397 flat angles P-C4'-P energy: -69.767 tors. eta vs tors. theta energy: -140.657 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: 6, replica: 6 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1614.797067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.797067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.797067 (E_RNA) where: Base-Base interactions energy: -1118.310 where: short stacking energy: -464.303 Base-Backbone interact. energy: 2.505 local terms energy: -498.991718 where: bonds (distance) C4'-P energy: -102.817 bonds (distance) P-C4' energy: -98.354 flat angles C4'-P-C4' energy: -98.673 flat angles P-C4'-P energy: -78.952 tors. eta vs tors. theta energy: -120.195 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: 5 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1511.482449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.482449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.482449 (E_RNA) where: Base-Base interactions energy: -1035.249 where: short stacking energy: -440.564 Base-Backbone interact. energy: 0.888 local terms energy: -477.121577 where: bonds (distance) C4'-P energy: -93.122 bonds (distance) P-C4' energy: -101.961 flat angles C4'-P-C4' energy: -101.513 flat angles P-C4'-P energy: -65.902 tors. eta vs tors. theta energy: -114.623 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: 8, replica: 9 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1457.761917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.761917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.761917 (E_RNA) where: Base-Base interactions energy: -1001.272 where: short stacking energy: -414.352 Base-Backbone interact. energy: -1.393 local terms energy: -455.096750 where: bonds (distance) C4'-P energy: -83.481 bonds (distance) P-C4' energy: -97.870 flat angles C4'-P-C4' energy: -100.329 flat angles P-C4'-P energy: -61.264 tors. eta vs tors. theta energy: -112.152 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: 9, replica: 10 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -1281.021132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.021132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.021132 (E_RNA) where: Base-Base interactions energy: -846.885 where: short stacking energy: -353.023 Base-Backbone interact. energy: -0.304 local terms energy: -433.832289 where: bonds (distance) C4'-P energy: -95.969 bonds (distance) P-C4' energy: -103.893 flat angles C4'-P-C4' energy: -92.255 flat angles P-C4'-P energy: -61.634 tors. eta vs tors. theta energy: -80.081 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: 10, replica: 7 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -1099.011132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.011132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.011132 (E_RNA) where: Base-Base interactions energy: -703.674 where: short stacking energy: -294.092 Base-Backbone interact. energy: -1.139 local terms energy: -394.198030 where: bonds (distance) C4'-P energy: -75.071 bonds (distance) P-C4' energy: -103.498 flat angles C4'-P-C4' energy: -101.429 flat angles P-C4'-P energy: -57.399 tors. eta vs tors. theta energy: -56.802 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: 1, replica: 3 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1907.228264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.228264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.228264 (E_RNA) where: Base-Base interactions energy: -1321.550 where: short stacking energy: -551.525 Base-Backbone interact. energy: -1.954 local terms energy: -583.724676 where: bonds (distance) C4'-P energy: -96.411 bonds (distance) P-C4' energy: -119.804 flat angles C4'-P-C4' energy: -124.309 flat angles P-C4'-P energy: -80.130 tors. eta vs tors. theta energy: -163.070 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: 4 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1873.655758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.655758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.655758 (E_RNA) where: Base-Base interactions energy: -1333.076 where: short stacking energy: -537.162 Base-Backbone interact. energy: 1.346 local terms energy: -541.926181 where: bonds (distance) C4'-P energy: -90.442 bonds (distance) P-C4' energy: -104.512 flat angles C4'-P-C4' energy: -113.914 flat angles P-C4'-P energy: -78.130 tors. eta vs tors. theta energy: -154.928 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: 8 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1823.033707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.033707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.033707 (E_RNA) where: Base-Base interactions energy: -1276.406 where: short stacking energy: -518.842 Base-Backbone interact. energy: 1.244 local terms energy: -547.872004 where: bonds (distance) C4'-P energy: -105.293 bonds (distance) P-C4' energy: -101.462 flat angles C4'-P-C4' energy: -110.913 flat angles P-C4'-P energy: -73.348 tors. eta vs tors. theta energy: -156.856 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: 4, replica: 1 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1715.891930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.891930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.891930 (E_RNA) where: Base-Base interactions energy: -1205.916 where: short stacking energy: -494.136 Base-Backbone interact. energy: -0.628 local terms energy: -509.347777 where: bonds (distance) C4'-P energy: -99.156 bonds (distance) P-C4' energy: -95.159 flat angles C4'-P-C4' energy: -106.885 flat angles P-C4'-P energy: -75.907 tors. eta vs tors. theta energy: -132.241 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: 5, replica: 2 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1729.160746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.160746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.160746 (E_RNA) where: Base-Base interactions energy: -1198.513 where: short stacking energy: -496.925 Base-Backbone interact. energy: 4.903 local terms energy: -535.551115 where: bonds (distance) C4'-P energy: -89.085 bonds (distance) P-C4' energy: -112.577 flat angles C4'-P-C4' energy: -116.151 flat angles P-C4'-P energy: -79.570 tors. eta vs tors. theta energy: -138.168 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: 6 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1633.815240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.815240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.815240 (E_RNA) where: Base-Base interactions energy: -1144.551 where: short stacking energy: -481.176 Base-Backbone interact. energy: -1.659 local terms energy: -487.604621 where: bonds (distance) C4'-P energy: -75.071 bonds (distance) P-C4' energy: -99.929 flat angles C4'-P-C4' energy: -108.382 flat angles P-C4'-P energy: -71.257 tors. eta vs tors. theta energy: -132.966 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: 7, replica: 5 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1491.896867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.896867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.896867 (E_RNA) where: Base-Base interactions energy: -1009.913 where: short stacking energy: -443.571 Base-Backbone interact. energy: -1.659 local terms energy: -480.324408 where: bonds (distance) C4'-P energy: -84.959 bonds (distance) P-C4' energy: -107.745 flat angles C4'-P-C4' energy: -103.724 flat angles P-C4'-P energy: -67.359 tors. eta vs tors. theta energy: -116.536 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: 8, replica: 9 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1397.771249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.771249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.771249 (E_RNA) where: Base-Base interactions energy: -954.802 where: short stacking energy: -395.661 Base-Backbone interact. energy: 9.770 local terms energy: -452.739699 where: bonds (distance) C4'-P energy: -95.733 bonds (distance) P-C4' energy: -101.296 flat angles C4'-P-C4' energy: -98.973 flat angles P-C4'-P energy: -63.108 tors. eta vs tors. theta energy: -93.630 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: 9, replica: 10 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -1313.814026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.814026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.814026 (E_RNA) where: Base-Base interactions energy: -869.485 where: short stacking energy: -373.548 Base-Backbone interact. energy: -2.576 local terms energy: -441.752907 where: bonds (distance) C4'-P energy: -83.613 bonds (distance) P-C4' energy: -93.200 flat angles C4'-P-C4' energy: -106.139 flat angles P-C4'-P energy: -66.144 tors. eta vs tors. theta energy: -92.657 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: 10, replica: 7 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -1088.746770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.746770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.746770 (E_RNA) where: Base-Base interactions energy: -722.044 where: short stacking energy: -307.842 Base-Backbone interact. energy: 7.463 local terms energy: -374.165854 where: bonds (distance) C4'-P energy: -81.868 bonds (distance) P-C4' energy: -100.855 flat angles C4'-P-C4' energy: -84.030 flat angles P-C4'-P energy: -60.244 tors. eta vs tors. theta energy: -47.169 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: 1, replica: 3 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1878.284045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.284045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.284045 (E_RNA) where: Base-Base interactions energy: -1315.146 where: short stacking energy: -554.097 Base-Backbone interact. energy: 0.541 local terms energy: -563.679044 where: bonds (distance) C4'-P energy: -98.657 bonds (distance) P-C4' energy: -107.155 flat angles C4'-P-C4' energy: -119.495 flat angles P-C4'-P energy: -82.830 tors. eta vs tors. theta energy: -155.542 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: 2, replica: 4 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1894.947404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.947404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.947404 (E_RNA) where: Base-Base interactions energy: -1323.578 where: short stacking energy: -538.861 Base-Backbone interact. energy: 0.169 local terms energy: -571.538015 where: bonds (distance) C4'-P energy: -100.406 bonds (distance) P-C4' energy: -124.662 flat angles C4'-P-C4' energy: -107.140 flat angles P-C4'-P energy: -84.797 tors. eta vs tors. theta energy: -154.533 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: 3, replica: 8 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1825.599736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.599736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.599736 (E_RNA) where: Base-Base interactions energy: -1288.250 where: short stacking energy: -523.025 Base-Backbone interact. energy: -0.806 local terms energy: -536.544234 where: bonds (distance) C4'-P energy: -98.238 bonds (distance) P-C4' energy: -98.635 flat angles C4'-P-C4' energy: -110.676 flat angles P-C4'-P energy: -74.835 tors. eta vs tors. theta energy: -154.160 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: 2 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1778.066323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.066323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.066323 (E_RNA) where: Base-Base interactions energy: -1246.728 where: short stacking energy: -516.418 Base-Backbone interact. energy: -2.553 local terms energy: -528.785554 where: bonds (distance) C4'-P energy: -97.547 bonds (distance) P-C4' energy: -94.614 flat angles C4'-P-C4' energy: -108.824 flat angles P-C4'-P energy: -80.047 tors. eta vs tors. theta energy: -147.754 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: 1 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1735.534692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.534692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.534692 (E_RNA) where: Base-Base interactions energy: -1218.120 where: short stacking energy: -500.671 Base-Backbone interact. energy: 2.780 local terms energy: -520.194252 where: bonds (distance) C4'-P energy: -97.411 bonds (distance) P-C4' energy: -102.707 flat angles C4'-P-C4' energy: -104.356 flat angles P-C4'-P energy: -72.590 tors. eta vs tors. theta energy: -143.130 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: 6, replica: 6 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1640.261989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.261989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.261989 (E_RNA) where: Base-Base interactions energy: -1130.261 where: short stacking energy: -472.571 Base-Backbone interact. energy: -1.226 local terms energy: -508.775658 where: bonds (distance) C4'-P energy: -86.540 bonds (distance) P-C4' energy: -103.207 flat angles C4'-P-C4' energy: -113.120 flat angles P-C4'-P energy: -75.311 tors. eta vs tors. theta energy: -130.597 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: 7, replica: 5 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1476.161936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.161936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.161936 (E_RNA) where: Base-Base interactions energy: -1020.145 where: short stacking energy: -431.012 Base-Backbone interact. energy: 1.528 local terms energy: -457.544912 where: bonds (distance) C4'-P energy: -83.377 bonds (distance) P-C4' energy: -97.075 flat angles C4'-P-C4' energy: -104.738 flat angles P-C4'-P energy: -70.375 tors. eta vs tors. theta energy: -101.980 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: 10 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1321.240176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.240176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.240176 (E_RNA) where: Base-Base interactions energy: -869.447 where: short stacking energy: -381.447 Base-Backbone interact. energy: 1.650 local terms energy: -453.442952 where: bonds (distance) C4'-P energy: -84.747 bonds (distance) P-C4' energy: -107.242 flat angles C4'-P-C4' energy: -111.168 flat angles P-C4'-P energy: -57.262 tors. eta vs tors. theta energy: -93.023 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: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -1346.749824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.749824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.749824 (E_RNA) where: Base-Base interactions energy: -922.935 where: short stacking energy: -379.345 Base-Backbone interact. energy: 2.435 local terms energy: -426.249886 where: bonds (distance) C4'-P energy: -92.585 bonds (distance) P-C4' energy: -113.048 flat angles C4'-P-C4' energy: -75.867 flat angles P-C4'-P energy: -53.804 tors. eta vs tors. theta energy: -90.946 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: 10, replica: 7 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -1068.006881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.006881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.006881 (E_RNA) where: Base-Base interactions energy: -682.987 where: short stacking energy: -305.826 Base-Backbone interact. energy: 4.038 local terms energy: -389.057642 where: bonds (distance) C4'-P energy: -84.566 bonds (distance) P-C4' energy: -99.791 flat angles C4'-P-C4' energy: -93.100 flat angles P-C4'-P energy: -51.660 tors. eta vs tors. theta energy: -59.941 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: 3 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1883.474835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.474835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.474835 (E_RNA) where: Base-Base interactions energy: -1308.683 where: short stacking energy: -562.795 Base-Backbone interact. energy: 0.567 local terms energy: -575.359595 where: bonds (distance) C4'-P energy: -103.722 bonds (distance) P-C4' energy: -108.244 flat angles C4'-P-C4' energy: -125.527 flat angles P-C4'-P energy: -82.544 tors. eta vs tors. theta energy: -155.324 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: 2, replica: 4 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1864.776858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.776858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.776858 (E_RNA) where: Base-Base interactions energy: -1321.063 where: short stacking energy: -543.749 Base-Backbone interact. energy: 0.316 local terms energy: -544.030029 where: bonds (distance) C4'-P energy: -100.878 bonds (distance) P-C4' energy: -107.241 flat angles C4'-P-C4' energy: -114.280 flat angles P-C4'-P energy: -64.584 tors. eta vs tors. theta energy: -157.046 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: 3, replica: 8 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1843.308786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.308786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.308786 (E_RNA) where: Base-Base interactions energy: -1299.825 where: short stacking energy: -544.502 Base-Backbone interact. energy: 0.297 local terms energy: -543.780383 where: bonds (distance) C4'-P energy: -101.756 bonds (distance) P-C4' energy: -106.708 flat angles C4'-P-C4' energy: -110.562 flat angles P-C4'-P energy: -70.041 tors. eta vs tors. theta energy: -154.713 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: 4, replica: 2 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1837.258657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.258657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.258657 (E_RNA) where: Base-Base interactions energy: -1270.175 where: short stacking energy: -529.589 Base-Backbone interact. energy: 0.423 local terms energy: -567.506726 where: bonds (distance) C4'-P energy: -95.833 bonds (distance) P-C4' energy: -120.034 flat angles C4'-P-C4' energy: -115.928 flat angles P-C4'-P energy: -86.338 tors. eta vs tors. theta energy: -149.375 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: 5, replica: 1 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1728.699006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.699006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.699006 (E_RNA) where: Base-Base interactions energy: -1204.160 where: short stacking energy: -490.736 Base-Backbone interact. energy: -2.300 local terms energy: -522.238946 where: bonds (distance) C4'-P energy: -88.592 bonds (distance) P-C4' energy: -105.321 flat angles C4'-P-C4' energy: -110.794 flat angles P-C4'-P energy: -72.987 tors. eta vs tors. theta energy: -144.545 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: 6 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1643.514032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.514032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.514032 (E_RNA) where: Base-Base interactions energy: -1123.651 where: short stacking energy: -472.908 Base-Backbone interact. energy: 1.444 local terms energy: -521.306974 where: bonds (distance) C4'-P energy: -93.203 bonds (distance) P-C4' energy: -108.835 flat angles C4'-P-C4' energy: -106.222 flat angles P-C4'-P energy: -85.146 tors. eta vs tors. theta energy: -127.901 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: 7, replica: 5 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1494.333162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.333162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.333162 (E_RNA) where: Base-Base interactions energy: -1042.988 where: short stacking energy: -416.926 Base-Backbone interact. energy: 3.115 local terms energy: -454.460574 where: bonds (distance) C4'-P energy: -86.314 bonds (distance) P-C4' energy: -97.555 flat angles C4'-P-C4' energy: -92.596 flat angles P-C4'-P energy: -73.195 tors. eta vs tors. theta energy: -104.800 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: 10 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1342.622852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.622852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.622852 (E_RNA) where: Base-Base interactions energy: -902.448 where: short stacking energy: -369.297 Base-Backbone interact. energy: 0.947 local terms energy: -441.121741 where: bonds (distance) C4'-P energy: -85.870 bonds (distance) P-C4' energy: -88.105 flat angles C4'-P-C4' energy: -109.993 flat angles P-C4'-P energy: -66.224 tors. eta vs tors. theta energy: -90.929 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: 9 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1370.982644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.982644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.982644 (E_RNA) where: Base-Base interactions energy: -904.242 where: short stacking energy: -381.203 Base-Backbone interact. energy: -0.871 local terms energy: -465.869795 where: bonds (distance) C4'-P energy: -98.204 bonds (distance) P-C4' energy: -105.942 flat angles C4'-P-C4' energy: -102.158 flat angles P-C4'-P energy: -68.511 tors. eta vs tors. theta energy: -91.054 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: 10, replica: 7 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -1086.269926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.269926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.269926 (E_RNA) where: Base-Base interactions energy: -690.998 where: short stacking energy: -303.370 Base-Backbone interact. energy: -0.657 local terms energy: -394.614836 where: bonds (distance) C4'-P energy: -78.999 bonds (distance) P-C4' energy: -106.270 flat angles C4'-P-C4' energy: -104.586 flat angles P-C4'-P energy: -44.657 tors. eta vs tors. theta energy: -60.103 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: 3 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1889.437397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.437397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.437397 (E_RNA) where: Base-Base interactions energy: -1297.546 where: short stacking energy: -542.246 Base-Backbone interact. energy: -2.220 local terms energy: -589.671544 where: bonds (distance) C4'-P energy: -107.304 bonds (distance) P-C4' energy: -118.345 flat angles C4'-P-C4' energy: -123.568 flat angles P-C4'-P energy: -82.003 tors. eta vs tors. theta energy: -158.451 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: 4 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1860.153934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.153934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.153934 (E_RNA) where: Base-Base interactions energy: -1308.184 where: short stacking energy: -539.907 Base-Backbone interact. energy: -1.402 local terms energy: -550.567934 where: bonds (distance) C4'-P energy: -99.276 bonds (distance) P-C4' energy: -117.131 flat angles C4'-P-C4' energy: -107.498 flat angles P-C4'-P energy: -72.734 tors. eta vs tors. theta energy: -153.929 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: 8 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1829.543226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.543226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.543226 (E_RNA) where: Base-Base interactions energy: -1296.695 where: short stacking energy: -548.404 Base-Backbone interact. energy: 1.152 local terms energy: -534.000635 where: bonds (distance) C4'-P energy: -85.047 bonds (distance) P-C4' energy: -108.172 flat angles C4'-P-C4' energy: -121.587 flat angles P-C4'-P energy: -69.227 tors. eta vs tors. theta energy: -149.968 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: 65 Temperature: 1.050000 Total energy: -1775.191355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.191355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.191355 (E_RNA) where: Base-Base interactions energy: -1259.917 where: short stacking energy: -505.190 Base-Backbone interact. energy: -0.925 local terms energy: -514.349438 where: bonds (distance) C4'-P energy: -86.711 bonds (distance) P-C4' energy: -102.653 flat angles C4'-P-C4' energy: -109.537 flat angles P-C4'-P energy: -72.966 tors. eta vs tors. theta energy: -142.481 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: 1 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1743.306476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.306476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.306476 (E_RNA) where: Base-Base interactions energy: -1223.766 where: short stacking energy: -522.089 Base-Backbone interact. energy: -0.231 local terms energy: -519.309502 where: bonds (distance) C4'-P energy: -91.940 bonds (distance) P-C4' energy: -93.579 flat angles C4'-P-C4' energy: -112.807 flat angles P-C4'-P energy: -71.722 tors. eta vs tors. theta energy: -149.262 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: 6, replica: 6 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1671.494313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.494313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.494313 (E_RNA) where: Base-Base interactions energy: -1175.256 where: short stacking energy: -490.851 Base-Backbone interact. energy: -0.890 local terms energy: -495.347535 where: bonds (distance) C4'-P energy: -88.388 bonds (distance) P-C4' energy: -105.744 flat angles C4'-P-C4' energy: -99.437 flat angles P-C4'-P energy: -76.243 tors. eta vs tors. theta energy: -125.535 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: 7, replica: 5 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1464.320934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.320934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.320934 (E_RNA) where: Base-Base interactions energy: -996.166 where: short stacking energy: -409.501 Base-Backbone interact. energy: 1.430 local terms energy: -469.585776 where: bonds (distance) C4'-P energy: -92.530 bonds (distance) P-C4' energy: -90.646 flat angles C4'-P-C4' energy: -106.827 flat angles P-C4'-P energy: -75.342 tors. eta vs tors. theta energy: -104.241 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: 8, replica: 9 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1378.120877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.120877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.120877 (E_RNA) where: Base-Base interactions energy: -918.955 where: short stacking energy: -388.048 Base-Backbone interact. energy: -0.657 local terms energy: -458.508303 where: bonds (distance) C4'-P energy: -96.854 bonds (distance) P-C4' energy: -95.475 flat angles C4'-P-C4' energy: -99.916 flat angles P-C4'-P energy: -75.275 tors. eta vs tors. theta energy: -90.988 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: 9, replica: 10 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1296.453596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.453596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.453596 (E_RNA) where: Base-Base interactions energy: -880.087 where: short stacking energy: -373.533 Base-Backbone interact. energy: 2.403 local terms energy: -418.769592 where: bonds (distance) C4'-P energy: -85.118 bonds (distance) P-C4' energy: -98.222 flat angles C4'-P-C4' energy: -89.552 flat angles P-C4'-P energy: -62.709 tors. eta vs tors. theta energy: -83.168 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: 10, replica: 7 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -1090.781568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.781568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.781568 (E_RNA) where: Base-Base interactions energy: -698.851 where: short stacking energy: -306.282 Base-Backbone interact. energy: 4.288 local terms energy: -396.217801 where: bonds (distance) C4'-P energy: -68.789 bonds (distance) P-C4' energy: -106.038 flat angles C4'-P-C4' energy: -90.773 flat angles P-C4'-P energy: -67.613 tors. eta vs tors. theta energy: -63.004 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: 4 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1904.843191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.843191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.843191 (E_RNA) where: Base-Base interactions energy: -1323.374 where: short stacking energy: -555.476 Base-Backbone interact. energy: -2.070 local terms energy: -579.399205 where: bonds (distance) C4'-P energy: -104.420 bonds (distance) P-C4' energy: -119.225 flat angles C4'-P-C4' energy: -123.889 flat angles P-C4'-P energy: -72.173 tors. eta vs tors. theta energy: -159.693 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: 3 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1854.456085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.456085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.456085 (E_RNA) where: Base-Base interactions energy: -1295.316 where: short stacking energy: -538.768 Base-Backbone interact. energy: 0.521 local terms energy: -559.660669 where: bonds (distance) C4'-P energy: -102.744 bonds (distance) P-C4' energy: -114.496 flat angles C4'-P-C4' energy: -112.773 flat angles P-C4'-P energy: -80.156 tors. eta vs tors. theta energy: -149.492 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: 8 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1815.071693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.071693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.071693 (E_RNA) where: Base-Base interactions energy: -1259.592 where: short stacking energy: -515.003 Base-Backbone interact. energy: -1.046 local terms energy: -554.433881 where: bonds (distance) C4'-P energy: -97.908 bonds (distance) P-C4' energy: -119.349 flat angles C4'-P-C4' energy: -108.768 flat angles P-C4'-P energy: -77.159 tors. eta vs tors. theta energy: -151.250 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: 4, replica: 2 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1764.229404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.229404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.229404 (E_RNA) where: Base-Base interactions energy: -1228.399 where: short stacking energy: -500.809 Base-Backbone interact. energy: 0.007 local terms energy: -535.836876 where: bonds (distance) C4'-P energy: -95.035 bonds (distance) P-C4' energy: -100.839 flat angles C4'-P-C4' energy: -116.412 flat angles P-C4'-P energy: -81.883 tors. eta vs tors. theta energy: -141.669 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: 5, replica: 1 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1735.001469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.001469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.001469 (E_RNA) where: Base-Base interactions energy: -1207.144 where: short stacking energy: -502.959 Base-Backbone interact. energy: 1.494 local terms energy: -529.350826 where: bonds (distance) C4'-P energy: -91.621 bonds (distance) P-C4' energy: -101.676 flat angles C4'-P-C4' energy: -111.324 flat angles P-C4'-P energy: -74.669 tors. eta vs tors. theta energy: -150.060 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: 6, replica: 6 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1636.012243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.012243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.012243 (E_RNA) where: Base-Base interactions energy: -1157.685 where: short stacking energy: -475.104 Base-Backbone interact. energy: -0.721 local terms energy: -477.605739 where: bonds (distance) C4'-P energy: -78.859 bonds (distance) P-C4' energy: -102.586 flat angles C4'-P-C4' energy: -99.874 flat angles P-C4'-P energy: -71.271 tors. eta vs tors. theta energy: -125.015 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: 5 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1471.026669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.026669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.026669 (E_RNA) where: Base-Base interactions energy: -1016.676 where: short stacking energy: -428.307 Base-Backbone interact. energy: 6.290 local terms energy: -460.640328 where: bonds (distance) C4'-P energy: -101.186 bonds (distance) P-C4' energy: -88.976 flat angles C4'-P-C4' energy: -106.797 flat angles P-C4'-P energy: -62.096 tors. eta vs tors. theta energy: -101.585 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: 9 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1388.080630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.080630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.080630 (E_RNA) where: Base-Base interactions energy: -929.940 where: short stacking energy: -392.932 Base-Backbone interact. energy: -0.640 local terms energy: -457.500289 where: bonds (distance) C4'-P energy: -98.509 bonds (distance) P-C4' energy: -106.120 flat angles C4'-P-C4' energy: -102.173 flat angles P-C4'-P energy: -58.699 tors. eta vs tors. theta energy: -91.999 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: 10 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -1284.188846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.188846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.188846 (E_RNA) where: Base-Base interactions energy: -850.151 where: short stacking energy: -362.013 Base-Backbone interact. energy: 0.271 local terms energy: -434.309634 where: bonds (distance) C4'-P energy: -80.940 bonds (distance) P-C4' energy: -101.744 flat angles C4'-P-C4' energy: -106.698 flat angles P-C4'-P energy: -70.220 tors. eta vs tors. theta energy: -74.708 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: 7 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -1094.687985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.687985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.687985 (E_RNA) where: Base-Base interactions energy: -707.240 where: short stacking energy: -324.199 Base-Backbone interact. energy: -1.826 local terms energy: -385.621435 where: bonds (distance) C4'-P energy: -95.534 bonds (distance) P-C4' energy: -91.131 flat angles C4'-P-C4' energy: -77.136 flat angles P-C4'-P energy: -65.351 tors. eta vs tors. theta energy: -56.469 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: 1, replica: 4 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1911.899942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.899942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.899942 (E_RNA) where: Base-Base interactions energy: -1339.693 where: short stacking energy: -558.022 Base-Backbone interact. energy: 1.082 local terms energy: -573.289830 where: bonds (distance) C4'-P energy: -102.833 bonds (distance) P-C4' energy: -101.604 flat angles C4'-P-C4' energy: -120.558 flat angles P-C4'-P energy: -82.377 tors. eta vs tors. theta energy: -165.918 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: 2, replica: 3 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1845.055684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.055684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.055684 (E_RNA) where: Base-Base interactions energy: -1290.481 where: short stacking energy: -526.524 Base-Backbone interact. energy: 1.238 local terms energy: -555.812601 where: bonds (distance) C4'-P energy: -100.895 bonds (distance) P-C4' energy: -119.415 flat angles C4'-P-C4' energy: -110.580 flat angles P-C4'-P energy: -80.862 tors. eta vs tors. theta energy: -144.060 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: 3, replica: 8 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1821.029487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.029487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.029487 (E_RNA) where: Base-Base interactions energy: -1274.789 where: short stacking energy: -529.363 Base-Backbone interact. energy: -0.382 local terms energy: -545.858317 where: bonds (distance) C4'-P energy: -99.877 bonds (distance) P-C4' energy: -100.723 flat angles C4'-P-C4' energy: -116.421 flat angles P-C4'-P energy: -77.550 tors. eta vs tors. theta energy: -151.287 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: 4, replica: 2 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1769.101040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.101040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.101040 (E_RNA) where: Base-Base interactions energy: -1239.205 where: short stacking energy: -519.389 Base-Backbone interact. energy: -1.043 local terms energy: -528.853055 where: bonds (distance) C4'-P energy: -95.987 bonds (distance) P-C4' energy: -100.510 flat angles C4'-P-C4' energy: -110.454 flat angles P-C4'-P energy: -79.884 tors. eta vs tors. theta energy: -142.018 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: 1 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1725.365297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.365297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.365297 (E_RNA) where: Base-Base interactions energy: -1210.690 where: short stacking energy: -504.919 Base-Backbone interact. energy: -0.775 local terms energy: -513.900528 where: bonds (distance) C4'-P energy: -92.179 bonds (distance) P-C4' energy: -101.889 flat angles C4'-P-C4' energy: -109.631 flat angles P-C4'-P energy: -77.180 tors. eta vs tors. theta energy: -133.022 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: 6 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1626.765654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.765654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.765654 (E_RNA) where: Base-Base interactions energy: -1137.669 where: short stacking energy: -480.509 Base-Backbone interact. energy: 0.542 local terms energy: -489.638844 where: bonds (distance) C4'-P energy: -71.901 bonds (distance) P-C4' energy: -109.055 flat angles C4'-P-C4' energy: -103.478 flat angles P-C4'-P energy: -73.713 tors. eta vs tors. theta energy: -131.492 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: 5 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1476.049954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.049954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.049954 (E_RNA) where: Base-Base interactions energy: -1014.510 where: short stacking energy: -419.418 Base-Backbone interact. energy: 3.862 local terms energy: -465.401844 where: bonds (distance) C4'-P energy: -88.332 bonds (distance) P-C4' energy: -116.191 flat angles C4'-P-C4' energy: -101.588 flat angles P-C4'-P energy: -70.290 tors. eta vs tors. theta energy: -89.001 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: 9 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1392.181286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.181286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.181286 (E_RNA) where: Base-Base interactions energy: -951.117 where: short stacking energy: -404.177 Base-Backbone interact. energy: -0.545 local terms energy: -440.518649 where: bonds (distance) C4'-P energy: -91.674 bonds (distance) P-C4' energy: -98.272 flat angles C4'-P-C4' energy: -84.929 flat angles P-C4'-P energy: -65.937 tors. eta vs tors. theta energy: -99.706 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: 9, replica: 10 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -1301.584196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.584196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.584196 (E_RNA) where: Base-Base interactions energy: -873.927 where: short stacking energy: -358.484 Base-Backbone interact. energy: -1.658 local terms energy: -425.999862 where: bonds (distance) C4'-P energy: -95.015 bonds (distance) P-C4' energy: -100.317 flat angles C4'-P-C4' energy: -95.437 flat angles P-C4'-P energy: -61.386 tors. eta vs tors. theta energy: -73.846 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: 7 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -1112.418046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.418046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.418046 (E_RNA) where: Base-Base interactions energy: -724.336 where: short stacking energy: -315.638 Base-Backbone interact. energy: 0.174 local terms energy: -388.256334 where: bonds (distance) C4'-P energy: -89.471 bonds (distance) P-C4' energy: -98.087 flat angles C4'-P-C4' energy: -85.168 flat angles P-C4'-P energy: -58.353 tors. eta vs tors. theta energy: -57.177 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: 1, replica: 4 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1899.805422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.805422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.805422 (E_RNA) where: Base-Base interactions energy: -1326.995 where: short stacking energy: -558.562 Base-Backbone interact. energy: -0.868 local terms energy: -571.942516 where: bonds (distance) C4'-P energy: -97.272 bonds (distance) P-C4' energy: -117.136 flat angles C4'-P-C4' energy: -119.959 flat angles P-C4'-P energy: -73.655 tors. eta vs tors. theta energy: -163.922 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: 2, replica: 3 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1867.015350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.015350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.015350 (E_RNA) where: Base-Base interactions energy: -1282.629 where: short stacking energy: -542.316 Base-Backbone interact. energy: -0.004 local terms energy: -584.382550 where: bonds (distance) C4'-P energy: -107.556 bonds (distance) P-C4' energy: -119.155 flat angles C4'-P-C4' energy: -114.993 flat angles P-C4'-P energy: -78.057 tors. eta vs tors. theta energy: -164.621 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: 8 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1824.008714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.008714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.008714 (E_RNA) where: Base-Base interactions energy: -1283.689 where: short stacking energy: -528.767 Base-Backbone interact. energy: -1.552 local terms energy: -538.767775 where: bonds (distance) C4'-P energy: -93.498 bonds (distance) P-C4' energy: -107.941 flat angles C4'-P-C4' energy: -117.397 flat angles P-C4'-P energy: -73.340 tors. eta vs tors. theta energy: -146.592 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: 2 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1772.648457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.648457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.648457 (E_RNA) where: Base-Base interactions energy: -1224.626 where: short stacking energy: -504.933 Base-Backbone interact. energy: 1.123 local terms energy: -549.145929 where: bonds (distance) C4'-P energy: -95.819 bonds (distance) P-C4' energy: -109.979 flat angles C4'-P-C4' energy: -108.764 flat angles P-C4'-P energy: -88.336 tors. eta vs tors. theta energy: -146.248 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: 1 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1739.691255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.691255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.691255 (E_RNA) where: Base-Base interactions energy: -1223.831 where: short stacking energy: -511.938 Base-Backbone interact. energy: 0.749 local terms energy: -516.609197 where: bonds (distance) C4'-P energy: -90.567 bonds (distance) P-C4' energy: -98.792 flat angles C4'-P-C4' energy: -107.428 flat angles P-C4'-P energy: -74.690 tors. eta vs tors. theta energy: -145.132 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: 6 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1639.256469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.256469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.256469 (E_RNA) where: Base-Base interactions energy: -1126.786 where: short stacking energy: -472.558 Base-Backbone interact. energy: 0.684 local terms energy: -513.154481 where: bonds (distance) C4'-P energy: -90.382 bonds (distance) P-C4' energy: -108.481 flat angles C4'-P-C4' energy: -102.639 flat angles P-C4'-P energy: -74.099 tors. eta vs tors. theta energy: -137.554 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: 7, replica: 5 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1507.344777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.344777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.344777 (E_RNA) where: Base-Base interactions energy: -1044.555 where: short stacking energy: -435.622 Base-Backbone interact. energy: 5.232 local terms energy: -468.021790 where: bonds (distance) C4'-P energy: -91.043 bonds (distance) P-C4' energy: -103.426 flat angles C4'-P-C4' energy: -104.834 flat angles P-C4'-P energy: -67.470 tors. eta vs tors. theta energy: -101.249 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: 9 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1401.199761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.199761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.199761 (E_RNA) where: Base-Base interactions energy: -963.030 where: short stacking energy: -389.623 Base-Backbone interact. energy: -0.534 local terms energy: -437.636165 where: bonds (distance) C4'-P energy: -84.073 bonds (distance) P-C4' energy: -100.546 flat angles C4'-P-C4' energy: -100.409 flat angles P-C4'-P energy: -56.156 tors. eta vs tors. theta energy: -96.452 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: 10 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1286.737877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.737877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.737877 (E_RNA) where: Base-Base interactions energy: -840.645 where: short stacking energy: -376.436 Base-Backbone interact. energy: 4.617 local terms energy: -450.709901 where: bonds (distance) C4'-P energy: -89.248 bonds (distance) P-C4' energy: -96.506 flat angles C4'-P-C4' energy: -101.580 flat angles P-C4'-P energy: -64.576 tors. eta vs tors. theta energy: -98.800 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: 7 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -1116.537323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.537323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.537323 (E_RNA) where: Base-Base interactions energy: -727.574 where: short stacking energy: -336.145 Base-Backbone interact. energy: 6.439 local terms energy: -395.402252 where: bonds (distance) C4'-P energy: -77.833 bonds (distance) P-C4' energy: -91.828 flat angles C4'-P-C4' energy: -95.345 flat angles P-C4'-P energy: -64.164 tors. eta vs tors. theta energy: -66.233 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: 4 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1900.105842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.105842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.105842 (E_RNA) where: Base-Base interactions energy: -1327.557 where: short stacking energy: -556.493 Base-Backbone interact. energy: 0.976 local terms energy: -573.524432 where: bonds (distance) C4'-P energy: -95.447 bonds (distance) P-C4' energy: -118.183 flat angles C4'-P-C4' energy: -118.192 flat angles P-C4'-P energy: -79.831 tors. eta vs tors. theta energy: -161.872 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: 2, replica: 3 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1844.585944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.585944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.585944 (E_RNA) where: Base-Base interactions energy: -1288.097 where: short stacking energy: -541.283 Base-Backbone interact. energy: -2.765 local terms energy: -553.724087 where: bonds (distance) C4'-P energy: -92.120 bonds (distance) P-C4' energy: -108.890 flat angles C4'-P-C4' energy: -119.372 flat angles P-C4'-P energy: -76.255 tors. eta vs tors. theta energy: -157.087 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: 3, replica: 8 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1818.571579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.571579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.571579 (E_RNA) where: Base-Base interactions energy: -1235.726 where: short stacking energy: -533.549 Base-Backbone interact. energy: 0.655 local terms energy: -583.500790 where: bonds (distance) C4'-P energy: -106.399 bonds (distance) P-C4' energy: -107.909 flat angles C4'-P-C4' energy: -120.061 flat angles P-C4'-P energy: -89.421 tors. eta vs tors. theta energy: -159.711 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: 4, replica: 2 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1764.809232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.809232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.809232 (E_RNA) where: Base-Base interactions energy: -1224.493 where: short stacking energy: -518.004 Base-Backbone interact. energy: -2.795 local terms energy: -537.521078 where: bonds (distance) C4'-P energy: -93.808 bonds (distance) P-C4' energy: -116.559 flat angles C4'-P-C4' energy: -113.020 flat angles P-C4'-P energy: -68.801 tors. eta vs tors. theta energy: -145.333 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: 5, replica: 1 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1738.940172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.940172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.940172 (E_RNA) where: Base-Base interactions energy: -1219.015 where: short stacking energy: -514.191 Base-Backbone interact. energy: -2.790 local terms energy: -517.134885 where: bonds (distance) C4'-P energy: -93.278 bonds (distance) P-C4' energy: -106.847 flat angles C4'-P-C4' energy: -105.640 flat angles P-C4'-P energy: -69.371 tors. eta vs tors. theta energy: -141.998 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: 6, replica: 6 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1643.457825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.457825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.457825 (E_RNA) where: Base-Base interactions energy: -1149.675 where: short stacking energy: -479.950 Base-Backbone interact. energy: -0.433 local terms energy: -493.349865 where: bonds (distance) C4'-P energy: -85.316 bonds (distance) P-C4' energy: -101.693 flat angles C4'-P-C4' energy: -103.408 flat angles P-C4'-P energy: -68.570 tors. eta vs tors. theta energy: -134.364 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: 7, replica: 5 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1531.719041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.719041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.719041 (E_RNA) where: Base-Base interactions energy: -1037.312 where: short stacking energy: -424.884 Base-Backbone interact. energy: -0.316 local terms energy: -494.091142 where: bonds (distance) C4'-P energy: -107.947 bonds (distance) P-C4' energy: -110.656 flat angles C4'-P-C4' energy: -101.631 flat angles P-C4'-P energy: -66.826 tors. eta vs tors. theta energy: -107.030 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: 8, replica: 9 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1394.114932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.114932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.114932 (E_RNA) where: Base-Base interactions energy: -956.218 where: short stacking energy: -384.699 Base-Backbone interact. energy: 0.178 local terms energy: -438.074432 where: bonds (distance) C4'-P energy: -87.546 bonds (distance) P-C4' energy: -100.059 flat angles C4'-P-C4' energy: -87.113 flat angles P-C4'-P energy: -64.328 tors. eta vs tors. theta energy: -99.029 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: 10 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -1260.132081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.132081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.132081 (E_RNA) where: Base-Base interactions energy: -841.331 where: short stacking energy: -363.640 Base-Backbone interact. energy: 1.716 local terms energy: -420.516830 where: bonds (distance) C4'-P energy: -88.347 bonds (distance) P-C4' energy: -98.837 flat angles C4'-P-C4' energy: -87.067 flat angles P-C4'-P energy: -60.193 tors. eta vs tors. theta energy: -86.072 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: 10, replica: 7 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -1089.821608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.821608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.821608 (E_RNA) where: Base-Base interactions energy: -717.594 where: short stacking energy: -348.056 Base-Backbone interact. energy: 4.572 local terms energy: -376.799997 where: bonds (distance) C4'-P energy: -75.072 bonds (distance) P-C4' energy: -98.236 flat angles C4'-P-C4' energy: -79.761 flat angles P-C4'-P energy: -47.315 tors. eta vs tors. theta energy: -76.416 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: 1, replica: 4 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1926.311697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.311697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.311697 (E_RNA) where: Base-Base interactions energy: -1336.387 where: short stacking energy: -563.020 Base-Backbone interact. energy: 1.191 local terms energy: -591.115365 where: bonds (distance) C4'-P energy: -106.819 bonds (distance) P-C4' energy: -118.215 flat angles C4'-P-C4' energy: -117.522 flat angles P-C4'-P energy: -82.904 tors. eta vs tors. theta energy: -165.655 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: 3 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1855.423911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.423911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.423911 (E_RNA) where: Base-Base interactions energy: -1300.162 where: short stacking energy: -536.446 Base-Backbone interact. energy: 1.900 local terms energy: -557.161600 where: bonds (distance) C4'-P energy: -89.836 bonds (distance) P-C4' energy: -111.399 flat angles C4'-P-C4' energy: -115.796 flat angles P-C4'-P energy: -83.827 tors. eta vs tors. theta energy: -156.303 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: 3, replica: 8 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1799.351650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.351650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.351650 (E_RNA) where: Base-Base interactions energy: -1259.369 where: short stacking energy: -531.200 Base-Backbone interact. energy: -1.236 local terms energy: -538.746996 where: bonds (distance) C4'-P energy: -83.504 bonds (distance) P-C4' energy: -102.182 flat angles C4'-P-C4' energy: -113.805 flat angles P-C4'-P energy: -87.298 tors. eta vs tors. theta energy: -151.959 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: 4, replica: 2 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1746.501082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.501082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.501082 (E_RNA) where: Base-Base interactions energy: -1247.232 where: short stacking energy: -500.927 Base-Backbone interact. energy: 3.513 local terms energy: -502.782645 where: bonds (distance) C4'-P energy: -95.729 bonds (distance) P-C4' energy: -98.121 flat angles C4'-P-C4' energy: -101.143 flat angles P-C4'-P energy: -73.289 tors. eta vs tors. theta energy: -134.500 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: 5, replica: 1 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1728.474282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.474282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.474282 (E_RNA) where: Base-Base interactions energy: -1210.449 where: short stacking energy: -495.678 Base-Backbone interact. energy: -1.735 local terms energy: -516.290765 where: bonds (distance) C4'-P energy: -91.698 bonds (distance) P-C4' energy: -97.469 flat angles C4'-P-C4' energy: -108.073 flat angles P-C4'-P energy: -74.449 tors. eta vs tors. theta energy: -144.601 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: 6 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1644.633881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.633881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.633881 (E_RNA) where: Base-Base interactions energy: -1142.142 where: short stacking energy: -480.726 Base-Backbone interact. energy: 1.752 local terms energy: -504.244008 where: bonds (distance) C4'-P energy: -95.957 bonds (distance) P-C4' energy: -104.846 flat angles C4'-P-C4' energy: -100.566 flat angles P-C4'-P energy: -75.545 tors. eta vs tors. theta energy: -127.331 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: 7, replica: 5 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1528.680201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.680201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.680201 (E_RNA) where: Base-Base interactions energy: -1065.055 where: short stacking energy: -428.214 Base-Backbone interact. energy: -0.136 local terms energy: -463.489587 where: bonds (distance) C4'-P energy: -83.334 bonds (distance) P-C4' energy: -99.592 flat angles C4'-P-C4' energy: -102.154 flat angles P-C4'-P energy: -78.813 tors. eta vs tors. theta energy: -99.597 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: 9 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1405.539482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.539482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.539482 (E_RNA) where: Base-Base interactions energy: -958.994 where: short stacking energy: -378.124 Base-Backbone interact. energy: 0.654 local terms energy: -447.199516 where: bonds (distance) C4'-P energy: -90.235 bonds (distance) P-C4' energy: -107.081 flat angles C4'-P-C4' energy: -105.597 flat angles P-C4'-P energy: -58.488 tors. eta vs tors. theta energy: -85.799 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: 10 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1268.616829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.616829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.616829 (E_RNA) where: Base-Base interactions energy: -835.987 where: short stacking energy: -360.379 Base-Backbone interact. energy: -0.838 local terms energy: -431.792470 where: bonds (distance) C4'-P energy: -84.330 bonds (distance) P-C4' energy: -93.895 flat angles C4'-P-C4' energy: -99.654 flat angles P-C4'-P energy: -64.062 tors. eta vs tors. theta energy: -89.852 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: 7 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -1090.464270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.464270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.464270 (E_RNA) where: Base-Base interactions energy: -685.017 where: short stacking energy: -291.325 Base-Backbone interact. energy: -0.006 local terms energy: -405.441467 where: bonds (distance) C4'-P energy: -88.923 bonds (distance) P-C4' energy: -97.358 flat angles C4'-P-C4' energy: -100.844 flat angles P-C4'-P energy: -60.780 tors. eta vs tors. theta energy: -57.536 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: 1, replica: 4 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1894.030110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.030110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.030110 (E_RNA) where: Base-Base interactions energy: -1321.035 where: short stacking energy: -560.290 Base-Backbone interact. energy: 2.057 local terms energy: -575.051160 where: bonds (distance) C4'-P energy: -103.375 bonds (distance) P-C4' energy: -112.360 flat angles C4'-P-C4' energy: -112.356 flat angles P-C4'-P energy: -82.450 tors. eta vs tors. theta energy: -164.510 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: 2, replica: 3 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1875.138078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.138078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.138078 (E_RNA) where: Base-Base interactions energy: -1320.835 where: short stacking energy: -555.660 Base-Backbone interact. energy: 1.980 local terms energy: -556.283155 where: bonds (distance) C4'-P energy: -97.113 bonds (distance) P-C4' energy: -108.559 flat angles C4'-P-C4' energy: -119.702 flat angles P-C4'-P energy: -78.687 tors. eta vs tors. theta energy: -152.222 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: 3, replica: 8 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1822.710398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.710398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.710398 (E_RNA) where: Base-Base interactions energy: -1270.879 where: short stacking energy: -546.186 Base-Backbone interact. energy: -3.056 local terms energy: -548.774874 where: bonds (distance) C4'-P energy: -98.390 bonds (distance) P-C4' energy: -110.968 flat angles C4'-P-C4' energy: -109.472 flat angles P-C4'-P energy: -76.657 tors. eta vs tors. theta energy: -153.287 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: 4, replica: 2 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1768.926584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.926584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.926584 (E_RNA) where: Base-Base interactions energy: -1237.415 where: short stacking energy: -531.445 Base-Backbone interact. energy: -1.503 local terms energy: -530.009000 where: bonds (distance) C4'-P energy: -81.824 bonds (distance) P-C4' energy: -108.176 flat angles C4'-P-C4' energy: -111.240 flat angles P-C4'-P energy: -86.681 tors. eta vs tors. theta energy: -142.088 Dist. restrs. and SS energy: 0.000 (S_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: 71 Temperature: 1.100000 Total energy: -1732.470092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.470092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.470092 (E_RNA) where: Base-Base interactions energy: -1201.691 where: short stacking energy: -487.166 Base-Backbone interact. energy: -0.391 local terms energy: -530.388061 where: bonds (distance) C4'-P energy: -88.618 bonds (distance) P-C4' energy: -115.482 flat angles C4'-P-C4' energy: -109.482 flat angles P-C4'-P energy: -77.172 tors. eta vs tors. theta energy: -139.634 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: 6, replica: 6 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1666.254162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.254162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.254162 (E_RNA) where: Base-Base interactions energy: -1172.867 where: short stacking energy: -466.167 Base-Backbone interact. energy: 1.410 local terms energy: -494.796970 where: bonds (distance) C4'-P energy: -92.423 bonds (distance) P-C4' energy: -107.993 flat angles C4'-P-C4' energy: -104.252 flat angles P-C4'-P energy: -63.345 tors. eta vs tors. theta energy: -126.785 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: 7, replica: 5 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1537.924826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.924826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.924826 (E_RNA) where: Base-Base interactions energy: -1068.145 where: short stacking energy: -419.233 Base-Backbone interact. energy: 0.485 local terms energy: -470.264594 where: bonds (distance) C4'-P energy: -92.289 bonds (distance) P-C4' energy: -108.823 flat angles C4'-P-C4' energy: -108.942 flat angles P-C4'-P energy: -61.618 tors. eta vs tors. theta energy: -98.593 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: 9 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1441.745049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.745049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.745049 (E_RNA) where: Base-Base interactions energy: -1022.694 where: short stacking energy: -446.904 Base-Backbone interact. energy: 0.217 local terms energy: -419.268601 where: bonds (distance) C4'-P energy: -77.357 bonds (distance) P-C4' energy: -95.117 flat angles C4'-P-C4' energy: -81.411 flat angles P-C4'-P energy: -54.139 tors. eta vs tors. theta energy: -111.244 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: 9, replica: 10 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1271.324132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.324132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.324132 (E_RNA) where: Base-Base interactions energy: -836.073 where: short stacking energy: -348.443 Base-Backbone interact. energy: -2.851 local terms energy: -432.400215 where: bonds (distance) C4'-P energy: -78.284 bonds (distance) P-C4' energy: -104.693 flat angles C4'-P-C4' energy: -99.231 flat angles P-C4'-P energy: -78.589 tors. eta vs tors. theta energy: -71.604 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: 7 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -1099.482159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.482159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.482159 (E_RNA) where: Base-Base interactions energy: -707.584 where: short stacking energy: -318.389 Base-Backbone interact. energy: -1.446 local terms energy: -390.451907 where: bonds (distance) C4'-P energy: -97.200 bonds (distance) P-C4' energy: -86.644 flat angles C4'-P-C4' energy: -102.507 flat angles P-C4'-P energy: -55.584 tors. eta vs tors. theta energy: -48.518 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: 3 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1879.437024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.437024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.437024 (E_RNA) where: Base-Base interactions energy: -1302.009 where: short stacking energy: -536.606 Base-Backbone interact. energy: -2.612 local terms energy: -574.816009 where: bonds (distance) C4'-P energy: -107.085 bonds (distance) P-C4' energy: -113.991 flat angles C4'-P-C4' energy: -119.845 flat angles P-C4'-P energy: -91.282 tors. eta vs tors. theta energy: -142.612 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: 2, replica: 4 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1867.800781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.800781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.800781 (E_RNA) where: Base-Base interactions energy: -1310.397 where: short stacking energy: -570.050 Base-Backbone interact. energy: -1.987 local terms energy: -555.416897 where: bonds (distance) C4'-P energy: -94.192 bonds (distance) P-C4' energy: -104.248 flat angles C4'-P-C4' energy: -116.714 flat angles P-C4'-P energy: -78.686 tors. eta vs tors. theta energy: -161.577 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: 3, replica: 8 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1812.690315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.690315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.690315 (E_RNA) where: Base-Base interactions energy: -1269.671 where: short stacking energy: -526.118 Base-Backbone interact. energy: 0.528 local terms energy: -543.547536 where: bonds (distance) C4'-P energy: -101.524 bonds (distance) P-C4' energy: -108.321 flat angles C4'-P-C4' energy: -105.769 flat angles P-C4'-P energy: -81.228 tors. eta vs tors. theta energy: -146.705 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: 4, replica: 2 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1762.239523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.239523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.239523 (E_RNA) where: Base-Base interactions energy: -1236.143 where: short stacking energy: -507.206 Base-Backbone interact. energy: -0.416 local terms energy: -525.680488 where: bonds (distance) C4'-P energy: -90.248 bonds (distance) P-C4' energy: -107.494 flat angles C4'-P-C4' energy: -116.744 flat angles P-C4'-P energy: -70.653 tors. eta vs tors. theta energy: -140.542 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: 1 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1722.028263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.028263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.028263 (E_RNA) where: Base-Base interactions energy: -1208.057 where: short stacking energy: -513.849 Base-Backbone interact. energy: 1.872 local terms energy: -515.843349 where: bonds (distance) C4'-P energy: -91.138 bonds (distance) P-C4' energy: -108.687 flat angles C4'-P-C4' energy: -103.379 flat angles P-C4'-P energy: -72.960 tors. eta vs tors. theta energy: -139.679 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: 6 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1655.950601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.950601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.950601 (E_RNA) where: Base-Base interactions energy: -1174.769 where: short stacking energy: -456.414 Base-Backbone interact. energy: 0.756 local terms energy: -481.938447 where: bonds (distance) C4'-P energy: -89.656 bonds (distance) P-C4' energy: -103.252 flat angles C4'-P-C4' energy: -97.856 flat angles P-C4'-P energy: -72.905 tors. eta vs tors. theta energy: -118.270 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: 5 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1548.487843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.487843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.487843 (E_RNA) where: Base-Base interactions energy: -1075.233 where: short stacking energy: -459.831 Base-Backbone interact. energy: -0.367 local terms energy: -472.887894 where: bonds (distance) C4'-P energy: -89.736 bonds (distance) P-C4' energy: -102.295 flat angles C4'-P-C4' energy: -97.071 flat angles P-C4'-P energy: -69.405 tors. eta vs tors. theta energy: -114.381 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: 8, replica: 9 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1427.488241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.488241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.488241 (E_RNA) where: Base-Base interactions energy: -965.741 where: short stacking energy: -389.796 Base-Backbone interact. energy: 3.489 local terms energy: -465.236493 where: bonds (distance) C4'-P energy: -79.705 bonds (distance) P-C4' energy: -112.632 flat angles C4'-P-C4' energy: -98.381 flat angles P-C4'-P energy: -71.480 tors. eta vs tors. theta energy: -103.038 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: 10 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1273.516490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.516490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.516490 (E_RNA) where: Base-Base interactions energy: -830.128 where: short stacking energy: -367.974 Base-Backbone interact. energy: 1.639 local terms energy: -445.026966 where: bonds (distance) C4'-P energy: -87.103 bonds (distance) P-C4' energy: -97.288 flat angles C4'-P-C4' energy: -104.930 flat angles P-C4'-P energy: -64.509 tors. eta vs tors. theta energy: -91.197 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: 7 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -1078.685490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.685490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.685490 (E_RNA) where: Base-Base interactions energy: -707.723 where: short stacking energy: -309.259 Base-Backbone interact. energy: -2.763 local terms energy: -368.199642 where: bonds (distance) C4'-P energy: -60.360 bonds (distance) P-C4' energy: -104.812 flat angles C4'-P-C4' energy: -80.963 flat angles P-C4'-P energy: -73.859 tors. eta vs tors. theta energy: -48.205 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: 1, replica: 3 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1889.573348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.573348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.573348 (E_RNA) where: Base-Base interactions energy: -1323.978 where: short stacking energy: -563.444 Base-Backbone interact. energy: -2.483 local terms energy: -563.112515 where: bonds (distance) C4'-P energy: -90.388 bonds (distance) P-C4' energy: -115.711 flat angles C4'-P-C4' energy: -116.425 flat angles P-C4'-P energy: -83.975 tors. eta vs tors. theta energy: -156.614 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: 2, replica: 4 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1894.726554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.726554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.726554 (E_RNA) where: Base-Base interactions energy: -1318.211 where: short stacking energy: -558.844 Base-Backbone interact. energy: 2.246 local terms energy: -578.761914 where: bonds (distance) C4'-P energy: -101.210 bonds (distance) P-C4' energy: -109.245 flat angles C4'-P-C4' energy: -119.736 flat angles P-C4'-P energy: -86.039 tors. eta vs tors. theta energy: -162.533 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: 3, replica: 8 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1837.248743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.248743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.248743 (E_RNA) where: Base-Base interactions energy: -1273.727 where: short stacking energy: -542.829 Base-Backbone interact. energy: 0.615 local terms energy: -564.137339 where: bonds (distance) C4'-P energy: -97.643 bonds (distance) P-C4' energy: -106.025 flat angles C4'-P-C4' energy: -119.661 flat angles P-C4'-P energy: -83.856 tors. eta vs tors. theta energy: -156.953 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: 4, replica: 1 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1744.420759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.420759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.420759 (E_RNA) where: Base-Base interactions energy: -1199.999 where: short stacking energy: -490.859 Base-Backbone interact. energy: -1.570 local terms energy: -542.851852 where: bonds (distance) C4'-P energy: -99.218 bonds (distance) P-C4' energy: -113.244 flat angles C4'-P-C4' energy: -110.972 flat angles P-C4'-P energy: -76.241 tors. eta vs tors. theta energy: -143.177 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: 5, replica: 2 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1716.519941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.519941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.519941 (E_RNA) where: Base-Base interactions energy: -1202.851 where: short stacking energy: -506.573 Base-Backbone interact. energy: -0.889 local terms energy: -512.779907 where: bonds (distance) C4'-P energy: -85.182 bonds (distance) P-C4' energy: -95.366 flat angles C4'-P-C4' energy: -113.848 flat angles P-C4'-P energy: -76.159 tors. eta vs tors. theta energy: -142.225 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: 6 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1666.585372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.585372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.585372 (E_RNA) where: Base-Base interactions energy: -1195.050 where: short stacking energy: -470.624 Base-Backbone interact. energy: 5.243 local terms energy: -476.778380 where: bonds (distance) C4'-P energy: -82.499 bonds (distance) P-C4' energy: -101.086 flat angles C4'-P-C4' energy: -109.602 flat angles P-C4'-P energy: -59.982 tors. eta vs tors. theta energy: -123.609 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: 7, replica: 5 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1550.351854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.351854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.351854 (E_RNA) where: Base-Base interactions energy: -1075.494 where: short stacking energy: -424.493 Base-Backbone interact. energy: -1.066 local terms energy: -473.791756 where: bonds (distance) C4'-P energy: -88.267 bonds (distance) P-C4' energy: -91.855 flat angles C4'-P-C4' energy: -108.019 flat angles P-C4'-P energy: -74.416 tors. eta vs tors. theta energy: -111.235 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: 9 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1410.112161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.112161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.112161 (E_RNA) where: Base-Base interactions energy: -951.880 where: short stacking energy: -400.709 Base-Backbone interact. energy: -1.728 local terms energy: -456.503858 where: bonds (distance) C4'-P energy: -86.577 bonds (distance) P-C4' energy: -101.783 flat angles C4'-P-C4' energy: -93.388 flat angles P-C4'-P energy: -72.359 tors. eta vs tors. theta energy: -102.396 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: 9, replica: 10 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1238.985467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.985467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.985467 (E_RNA) where: Base-Base interactions energy: -824.851 where: short stacking energy: -349.756 Base-Backbone interact. energy: 2.696 local terms energy: -416.830488 where: bonds (distance) C4'-P energy: -94.422 bonds (distance) P-C4' energy: -97.822 flat angles C4'-P-C4' energy: -89.283 flat angles P-C4'-P energy: -62.839 tors. eta vs tors. theta energy: -72.465 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: 10, replica: 7 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -1096.485763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.485763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.485763 (E_RNA) where: Base-Base interactions energy: -697.784 where: short stacking energy: -302.023 Base-Backbone interact. energy: -0.625 local terms energy: -398.076950 where: bonds (distance) C4'-P energy: -82.206 bonds (distance) P-C4' energy: -96.462 flat angles C4'-P-C4' energy: -88.077 flat angles P-C4'-P energy: -63.414 tors. eta vs tors. theta energy: -67.917 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: 1, replica: 4 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1889.419696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.419696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.419696 (E_RNA) where: Base-Base interactions energy: -1307.792 where: short stacking energy: -553.549 Base-Backbone interact. energy: 4.294 local terms energy: -585.921280 where: bonds (distance) C4'-P energy: -107.059 bonds (distance) P-C4' energy: -114.365 flat angles C4'-P-C4' energy: -124.099 flat angles P-C4'-P energy: -80.486 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: 2, replica: 3 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1861.176585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.176585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.176585 (E_RNA) where: Base-Base interactions energy: -1302.115 where: short stacking energy: -543.790 Base-Backbone interact. energy: 1.813 local terms energy: -560.874731 where: bonds (distance) C4'-P energy: -99.838 bonds (distance) P-C4' energy: -117.656 flat angles C4'-P-C4' energy: -118.073 flat angles P-C4'-P energy: -77.637 tors. eta vs tors. theta energy: -147.672 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: 8 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1827.354426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.354426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.354426 (E_RNA) where: Base-Base interactions energy: -1277.947 where: short stacking energy: -535.037 Base-Backbone interact. energy: -1.055 local terms energy: -548.352974 where: bonds (distance) C4'-P energy: -96.462 bonds (distance) P-C4' energy: -108.728 flat angles C4'-P-C4' energy: -113.008 flat angles P-C4'-P energy: -68.257 tors. eta vs tors. theta energy: -161.898 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: 4, replica: 1 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1745.812921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.812921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.812921 (E_RNA) where: Base-Base interactions energy: -1206.248 where: short stacking energy: -515.272 Base-Backbone interact. energy: 0.248 local terms energy: -539.812586 where: bonds (distance) C4'-P energy: -105.094 bonds (distance) P-C4' energy: -103.955 flat angles C4'-P-C4' energy: -106.787 flat angles P-C4'-P energy: -85.190 tors. eta vs tors. theta energy: -138.786 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: 5, replica: 6 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1681.775158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.775158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.775158 (E_RNA) where: Base-Base interactions energy: -1144.585 where: short stacking energy: -469.759 Base-Backbone interact. energy: -1.226 local terms energy: -535.964311 where: bonds (distance) C4'-P energy: -96.965 bonds (distance) P-C4' energy: -106.284 flat angles C4'-P-C4' energy: -122.923 flat angles P-C4'-P energy: -81.314 tors. eta vs tors. theta energy: -128.479 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: 2 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1641.513075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.513075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.513075 (E_RNA) where: Base-Base interactions energy: -1150.542 where: short stacking energy: -477.467 Base-Backbone interact. energy: 1.293 local terms energy: -492.263748 where: bonds (distance) C4'-P energy: -84.740 bonds (distance) P-C4' energy: -110.571 flat angles C4'-P-C4' energy: -105.717 flat angles P-C4'-P energy: -62.315 tors. eta vs tors. theta energy: -128.921 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: 5 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1565.080221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.080221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.080221 (E_RNA) where: Base-Base interactions energy: -1071.547 where: short stacking energy: -436.716 Base-Backbone interact. energy: 1.128 local terms energy: -494.662116 where: bonds (distance) C4'-P energy: -93.308 bonds (distance) P-C4' energy: -100.801 flat angles C4'-P-C4' energy: -107.977 flat angles P-C4'-P energy: -69.264 tors. eta vs tors. theta energy: -123.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1405.818866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.818866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.818866 (E_RNA) where: Base-Base interactions energy: -933.793 where: short stacking energy: -388.515 Base-Backbone interact. energy: 0.329 local terms energy: -472.354837 where: bonds (distance) C4'-P energy: -85.052 bonds (distance) P-C4' energy: -106.371 flat angles C4'-P-C4' energy: -100.857 flat angles P-C4'-P energy: -76.699 tors. eta vs tors. theta energy: -103.376 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: 9, replica: 10 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1298.116452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.116452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.116452 (E_RNA) where: Base-Base interactions energy: -862.040 where: short stacking energy: -379.902 Base-Backbone interact. energy: 1.033 local terms energy: -437.109104 where: bonds (distance) C4'-P energy: -75.749 bonds (distance) P-C4' energy: -112.195 flat angles C4'-P-C4' energy: -86.033 flat angles P-C4'-P energy: -71.870 tors. eta vs tors. theta energy: -91.262 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: 10, replica: 7 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -1125.337916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.337916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.337916 (E_RNA) where: Base-Base interactions energy: -727.749 where: short stacking energy: -334.289 Base-Backbone interact. energy: 1.237 local terms energy: -398.826041 where: bonds (distance) C4'-P energy: -92.007 bonds (distance) P-C4' energy: -90.456 flat angles C4'-P-C4' energy: -82.913 flat angles P-C4'-P energy: -60.770 tors. eta vs tors. theta energy: -72.680 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: 1, replica: 4 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1892.808219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.808219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.808219 (E_RNA) where: Base-Base interactions energy: -1324.272 where: short stacking energy: -559.275 Base-Backbone interact. energy: -0.716 local terms energy: -567.819866 where: bonds (distance) C4'-P energy: -94.144 bonds (distance) P-C4' energy: -113.507 flat angles C4'-P-C4' energy: -117.112 flat angles P-C4'-P energy: -78.542 tors. eta vs tors. theta energy: -164.515 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: 2, replica: 3 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1864.666971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.666971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.666971 (E_RNA) where: Base-Base interactions energy: -1303.309 where: short stacking energy: -526.290 Base-Backbone interact. energy: -0.516 local terms energy: -560.841428 where: bonds (distance) C4'-P energy: -103.699 bonds (distance) P-C4' energy: -105.953 flat angles C4'-P-C4' energy: -116.673 flat angles P-C4'-P energy: -85.581 tors. eta vs tors. theta energy: -148.935 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: 8 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1816.453192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.453192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.453192 (E_RNA) where: Base-Base interactions energy: -1246.539 where: short stacking energy: -524.332 Base-Backbone interact. energy: -0.792 local terms energy: -569.121761 where: bonds (distance) C4'-P energy: -100.163 bonds (distance) P-C4' energy: -116.204 flat angles C4'-P-C4' energy: -119.911 flat angles P-C4'-P energy: -80.958 tors. eta vs tors. theta energy: -151.887 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: 4, replica: 1 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1817.360561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.360561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.360561 (E_RNA) where: Base-Base interactions energy: -1257.610 where: short stacking energy: -529.345 Base-Backbone interact. energy: -1.051 local terms energy: -558.699240 where: bonds (distance) C4'-P energy: -89.936 bonds (distance) P-C4' energy: -108.657 flat angles C4'-P-C4' energy: -117.435 flat angles P-C4'-P energy: -87.197 tors. eta vs tors. theta energy: -155.475 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: 5, replica: 6 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1644.955591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.955591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.955591 (E_RNA) where: Base-Base interactions energy: -1162.678 where: short stacking energy: -483.431 Base-Backbone interact. energy: 0.719 local terms energy: -482.996676 where: bonds (distance) C4'-P energy: -90.821 bonds (distance) P-C4' energy: -93.140 flat angles C4'-P-C4' energy: -110.741 flat angles P-C4'-P energy: -69.872 tors. eta vs tors. theta energy: -118.423 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: 6, replica: 2 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1642.788163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.788163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.788163 (E_RNA) where: Base-Base interactions energy: -1140.889 where: short stacking energy: -464.642 Base-Backbone interact. energy: -1.884 local terms energy: -500.015051 where: bonds (distance) C4'-P energy: -90.693 bonds (distance) P-C4' energy: -90.781 flat angles C4'-P-C4' energy: -107.411 flat angles P-C4'-P energy: -70.519 tors. eta vs tors. theta energy: -140.612 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: 7, replica: 5 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1581.771665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.771665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.771665 (E_RNA) where: Base-Base interactions energy: -1109.670 where: short stacking energy: -458.564 Base-Backbone interact. energy: 3.137 local terms energy: -475.238339 where: bonds (distance) C4'-P energy: -72.141 bonds (distance) P-C4' energy: -109.099 flat angles C4'-P-C4' energy: -107.409 flat angles P-C4'-P energy: -64.582 tors. eta vs tors. theta energy: -122.007 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: 8, replica: 9 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1389.176653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.176653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.176653 (E_RNA) where: Base-Base interactions energy: -942.602 where: short stacking energy: -393.545 Base-Backbone interact. energy: 3.389 local terms energy: -449.964495 where: bonds (distance) C4'-P energy: -90.508 bonds (distance) P-C4' energy: -114.869 flat angles C4'-P-C4' energy: -96.677 flat angles P-C4'-P energy: -60.671 tors. eta vs tors. theta energy: -87.239 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: 10 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1257.896305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.896305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.896305 (E_RNA) where: Base-Base interactions energy: -822.177 where: short stacking energy: -351.213 Base-Backbone interact. energy: 2.745 local terms energy: -438.464353 where: bonds (distance) C4'-P energy: -94.265 bonds (distance) P-C4' energy: -93.615 flat angles C4'-P-C4' energy: -94.541 flat angles P-C4'-P energy: -68.880 tors. eta vs tors. theta energy: -87.163 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: 10, replica: 7 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -1126.096439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.096439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.096439 (E_RNA) where: Base-Base interactions energy: -711.806 where: short stacking energy: -310.818 Base-Backbone interact. energy: 3.364 local terms energy: -417.654628 where: bonds (distance) C4'-P energy: -83.709 bonds (distance) P-C4' energy: -104.502 flat angles C4'-P-C4' energy: -103.298 flat angles P-C4'-P energy: -61.771 tors. eta vs tors. theta energy: -64.375 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: 1, replica: 3 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1902.664619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.664619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.664619 (E_RNA) where: Base-Base interactions energy: -1332.996 where: short stacking energy: -555.768 Base-Backbone interact. energy: -1.849 local terms energy: -567.819367 where: bonds (distance) C4'-P energy: -99.333 bonds (distance) P-C4' energy: -113.774 flat angles C4'-P-C4' energy: -122.540 flat angles P-C4'-P energy: -81.244 tors. eta vs tors. theta energy: -150.929 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: 4 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1843.456506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.456506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.456506 (E_RNA) where: Base-Base interactions energy: -1277.366 where: short stacking energy: -545.551 Base-Backbone interact. energy: 1.526 local terms energy: -567.616586 where: bonds (distance) C4'-P energy: -103.621 bonds (distance) P-C4' energy: -103.382 flat angles C4'-P-C4' energy: -122.638 flat angles P-C4'-P energy: -79.579 tors. eta vs tors. theta energy: -158.396 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: 3, replica: 1 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1820.345035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.345035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.345035 (E_RNA) where: Base-Base interactions energy: -1266.734 where: short stacking energy: -527.258 Base-Backbone interact. energy: 0.610 local terms energy: -554.221606 where: bonds (distance) C4'-P energy: -97.260 bonds (distance) P-C4' energy: -109.222 flat angles C4'-P-C4' energy: -120.382 flat angles P-C4'-P energy: -70.256 tors. eta vs tors. theta energy: -157.101 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: 8 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1767.024354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.024354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.024354 (E_RNA) where: Base-Base interactions energy: -1218.710 where: short stacking energy: -531.259 Base-Backbone interact. energy: -1.162 local terms energy: -547.152366 where: bonds (distance) C4'-P energy: -82.680 bonds (distance) P-C4' energy: -117.297 flat angles C4'-P-C4' energy: -114.515 flat angles P-C4'-P energy: -81.210 tors. eta vs tors. theta energy: -151.451 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: 2 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1709.266439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.266439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.266439 (E_RNA) where: Base-Base interactions energy: -1206.881 where: short stacking energy: -497.093 Base-Backbone interact. energy: -0.982 local terms energy: -501.403486 where: bonds (distance) C4'-P energy: -94.801 bonds (distance) P-C4' energy: -90.996 flat angles C4'-P-C4' energy: -106.213 flat angles P-C4'-P energy: -70.539 tors. eta vs tors. theta energy: -138.854 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: 6 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1623.438008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.438008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.438008 (E_RNA) where: Base-Base interactions energy: -1139.651 where: short stacking energy: -469.832 Base-Backbone interact. energy: 0.312 local terms energy: -484.099551 where: bonds (distance) C4'-P energy: -86.096 bonds (distance) P-C4' energy: -99.370 flat angles C4'-P-C4' energy: -111.238 flat angles P-C4'-P energy: -57.484 tors. eta vs tors. theta energy: -129.910 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: 7, replica: 5 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1523.215776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.215776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.215776 (E_RNA) where: Base-Base interactions energy: -1052.564 where: short stacking energy: -442.820 Base-Backbone interact. energy: -0.037 local terms energy: -470.614334 where: bonds (distance) C4'-P energy: -79.263 bonds (distance) P-C4' energy: -106.358 flat angles C4'-P-C4' energy: -109.437 flat angles P-C4'-P energy: -59.317 tors. eta vs tors. theta energy: -116.238 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: 8, replica: 9 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1395.221672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.221672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.221672 (E_RNA) where: Base-Base interactions energy: -944.167 where: short stacking energy: -388.009 Base-Backbone interact. energy: -1.295 local terms energy: -449.759731 where: bonds (distance) C4'-P energy: -91.831 bonds (distance) P-C4' energy: -102.840 flat angles C4'-P-C4' energy: -107.063 flat angles P-C4'-P energy: -67.501 tors. eta vs tors. theta energy: -80.525 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: 10 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1263.817249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.817249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.817249 (E_RNA) where: Base-Base interactions energy: -832.183 where: short stacking energy: -353.535 Base-Backbone interact. energy: -2.234 local terms energy: -429.400006 where: bonds (distance) C4'-P energy: -99.008 bonds (distance) P-C4' energy: -96.817 flat angles C4'-P-C4' energy: -97.867 flat angles P-C4'-P energy: -58.572 tors. eta vs tors. theta energy: -77.136 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: 7 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -1075.841874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.841874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.841874 (E_RNA) where: Base-Base interactions energy: -684.101 where: short stacking energy: -309.375 Base-Backbone interact. energy: 5.008 local terms energy: -396.748467 where: bonds (distance) C4'-P energy: -90.004 bonds (distance) P-C4' energy: -100.175 flat angles C4'-P-C4' energy: -94.320 flat angles P-C4'-P energy: -60.301 tors. eta vs tors. theta energy: -51.948 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: 1, replica: 3 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1899.521384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.521384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.521384 (E_RNA) where: Base-Base interactions energy: -1336.694 where: short stacking energy: -549.149 Base-Backbone interact. energy: -0.283 local terms energy: -562.543813 where: bonds (distance) C4'-P energy: -93.287 bonds (distance) P-C4' energy: -119.510 flat angles C4'-P-C4' energy: -115.403 flat angles P-C4'-P energy: -85.043 tors. eta vs tors. theta energy: -149.301 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: 2, replica: 4 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1835.310049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.310049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.310049 (E_RNA) where: Base-Base interactions energy: -1280.499 where: short stacking energy: -524.326 Base-Backbone interact. energy: 6.031 local terms energy: -560.841535 where: bonds (distance) C4'-P energy: -94.564 bonds (distance) P-C4' energy: -103.523 flat angles C4'-P-C4' energy: -125.424 flat angles P-C4'-P energy: -81.420 tors. eta vs tors. theta energy: -155.910 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: 77 Temperature: 1.000000 Total energy: -1811.996052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.996052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.996052 (E_RNA) where: Base-Base interactions energy: -1260.910 where: short stacking energy: -509.879 Base-Backbone interact. energy: -0.364 local terms energy: -550.721850 where: bonds (distance) C4'-P energy: -96.397 bonds (distance) P-C4' energy: -124.679 flat angles C4'-P-C4' energy: -110.335 flat angles P-C4'-P energy: -79.856 tors. eta vs tors. theta energy: -139.455 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: 4, replica: 8 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1751.798267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.798267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.798267 (E_RNA) where: Base-Base interactions energy: -1213.381 where: short stacking energy: -520.768 Base-Backbone interact. energy: -2.974 local terms energy: -535.443413 where: bonds (distance) C4'-P energy: -83.849 bonds (distance) P-C4' energy: -111.927 flat angles C4'-P-C4' energy: -113.122 flat angles P-C4'-P energy: -85.334 tors. eta vs tors. theta energy: -141.211 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: 2 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1698.894349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.894349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.894349 (E_RNA) where: Base-Base interactions energy: -1179.994 where: short stacking energy: -475.880 Base-Backbone interact. energy: -1.623 local terms energy: -517.277271 where: bonds (distance) C4'-P energy: -77.404 bonds (distance) P-C4' energy: -107.415 flat angles C4'-P-C4' energy: -121.972 flat angles P-C4'-P energy: -78.894 tors. eta vs tors. theta energy: -131.593 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: 6, replica: 5 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1573.521896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.521896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.521896 (E_RNA) where: Base-Base interactions energy: -1084.609 where: short stacking energy: -441.890 Base-Backbone interact. energy: -1.205 local terms energy: -487.708311 where: bonds (distance) C4'-P energy: -77.321 bonds (distance) P-C4' energy: -104.339 flat angles C4'-P-C4' energy: -111.144 flat angles P-C4'-P energy: -71.543 tors. eta vs tors. theta energy: -123.361 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: 7, replica: 6 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1534.397731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.397731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.397731 (E_RNA) where: Base-Base interactions energy: -1070.120 where: short stacking energy: -450.763 Base-Backbone interact. energy: -0.786 local terms energy: -463.491954 where: bonds (distance) C4'-P energy: -79.698 bonds (distance) P-C4' energy: -94.065 flat angles C4'-P-C4' energy: -100.620 flat angles P-C4'-P energy: -69.894 tors. eta vs tors. theta energy: -119.214 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: 8, replica: 9 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1406.215062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.215062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.215062 (E_RNA) where: Base-Base interactions energy: -951.960 where: short stacking energy: -405.100 Base-Backbone interact. energy: 0.173 local terms energy: -454.428802 where: bonds (distance) C4'-P energy: -92.747 bonds (distance) P-C4' energy: -98.955 flat angles C4'-P-C4' energy: -104.082 flat angles P-C4'-P energy: -56.169 tors. eta vs tors. theta energy: -102.476 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: 10 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1220.834899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.834899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.834899 (E_RNA) where: Base-Base interactions energy: -815.318 where: short stacking energy: -344.755 Base-Backbone interact. energy: 1.082 local terms energy: -406.598866 where: bonds (distance) C4'-P energy: -72.887 bonds (distance) P-C4' energy: -95.545 flat angles C4'-P-C4' energy: -100.418 flat angles P-C4'-P energy: -59.636 tors. eta vs tors. theta energy: -78.114 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: 10, replica: 7 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -1087.490315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.490315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.490315 (E_RNA) where: Base-Base interactions energy: -703.196 where: short stacking energy: -322.961 Base-Backbone interact. energy: -1.488 local terms energy: -382.806227 where: bonds (distance) C4'-P energy: -76.210 bonds (distance) P-C4' energy: -94.876 flat angles C4'-P-C4' energy: -91.282 flat angles P-C4'-P energy: -56.413 tors. eta vs tors. theta energy: -64.026 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: 1, replica: 3 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1894.879869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.879869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.879869 (E_RNA) where: Base-Base interactions energy: -1340.845 where: short stacking energy: -556.433 Base-Backbone interact. energy: -0.650 local terms energy: -553.384984 where: bonds (distance) C4'-P energy: -101.008 bonds (distance) P-C4' energy: -100.067 flat angles C4'-P-C4' energy: -120.946 flat angles P-C4'-P energy: -75.926 tors. eta vs tors. theta energy: -155.438 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: 4 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1827.054900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.054900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.054900 (E_RNA) where: Base-Base interactions energy: -1275.777 where: short stacking energy: -535.263 Base-Backbone interact. energy: 0.704 local terms energy: -551.982615 where: bonds (distance) C4'-P energy: -93.449 bonds (distance) P-C4' energy: -112.199 flat angles C4'-P-C4' energy: -114.345 flat angles P-C4'-P energy: -81.577 tors. eta vs tors. theta energy: -150.412 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: 1 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1792.250039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.250039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.250039 (E_RNA) where: Base-Base interactions energy: -1238.455 where: short stacking energy: -509.834 Base-Backbone interact. energy: 2.061 local terms energy: -555.856020 where: bonds (distance) C4'-P energy: -100.538 bonds (distance) P-C4' energy: -112.183 flat angles C4'-P-C4' energy: -113.854 flat angles P-C4'-P energy: -82.761 tors. eta vs tors. theta energy: -146.520 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: 8 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1747.709948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.709948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.709948 (E_RNA) where: Base-Base interactions energy: -1239.755 where: short stacking energy: -500.740 Base-Backbone interact. energy: 2.547 local terms energy: -510.501274 where: bonds (distance) C4'-P energy: -88.432 bonds (distance) P-C4' energy: -113.402 flat angles C4'-P-C4' energy: -104.872 flat angles P-C4'-P energy: -69.349 tors. eta vs tors. theta energy: -134.446 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: 5, replica: 2 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1695.185131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.185131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.185131 (E_RNA) where: Base-Base interactions energy: -1155.229 where: short stacking energy: -477.376 Base-Backbone interact. energy: 1.305 local terms energy: -541.260623 where: bonds (distance) C4'-P energy: -102.284 bonds (distance) P-C4' energy: -115.382 flat angles C4'-P-C4' energy: -108.942 flat angles P-C4'-P energy: -79.858 tors. eta vs tors. theta energy: -134.795 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: 6, replica: 5 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1587.075109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.075109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.075109 (E_RNA) where: Base-Base interactions energy: -1095.637 where: short stacking energy: -459.992 Base-Backbone interact. energy: 1.175 local terms energy: -492.612829 where: bonds (distance) C4'-P energy: -90.935 bonds (distance) P-C4' energy: -103.411 flat angles C4'-P-C4' energy: -102.063 flat angles P-C4'-P energy: -74.142 tors. eta vs tors. theta energy: -122.061 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: 7, replica: 6 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1576.796804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.796804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.796804 (E_RNA) where: Base-Base interactions energy: -1078.685 where: short stacking energy: -453.011 Base-Backbone interact. energy: 0.577 local terms energy: -498.688302 where: bonds (distance) C4'-P energy: -84.801 bonds (distance) P-C4' energy: -110.429 flat angles C4'-P-C4' energy: -105.193 flat angles P-C4'-P energy: -68.434 tors. eta vs tors. theta energy: -129.831 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: 8, replica: 9 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1377.030072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.030072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.030072 (E_RNA) where: Base-Base interactions energy: -923.215 where: short stacking energy: -389.158 Base-Backbone interact. energy: 0.558 local terms energy: -454.373116 where: bonds (distance) C4'-P energy: -81.291 bonds (distance) P-C4' energy: -105.690 flat angles C4'-P-C4' energy: -106.298 flat angles P-C4'-P energy: -58.218 tors. eta vs tors. theta energy: -102.876 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: 10 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -1233.727623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.727623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.727623 (E_RNA) where: Base-Base interactions energy: -813.783 where: short stacking energy: -363.025 Base-Backbone interact. energy: 0.240 local terms energy: -420.185000 where: bonds (distance) C4'-P energy: -95.921 bonds (distance) P-C4' energy: -96.523 flat angles C4'-P-C4' energy: -90.853 flat angles P-C4'-P energy: -58.909 tors. eta vs tors. theta energy: -77.981 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: 10, replica: 7 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -1101.152008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.152008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.152008 (E_RNA) where: Base-Base interactions energy: -696.079 where: short stacking energy: -295.514 Base-Backbone interact. energy: -2.581 local terms energy: -402.491682 where: bonds (distance) C4'-P energy: -92.980 bonds (distance) P-C4' energy: -105.521 flat angles C4'-P-C4' energy: -82.057 flat angles P-C4'-P energy: -68.238 tors. eta vs tors. theta energy: -53.696 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: 3 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1884.319114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.319114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.319114 (E_RNA) where: Base-Base interactions energy: -1319.940 where: short stacking energy: -530.281 Base-Backbone interact. energy: -1.318 local terms energy: -563.060873 where: bonds (distance) C4'-P energy: -99.434 bonds (distance) P-C4' energy: -115.956 flat angles C4'-P-C4' energy: -117.402 flat angles P-C4'-P energy: -81.493 tors. eta vs tors. theta energy: -148.776 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: 2, replica: 4 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1845.732077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.732077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.732077 (E_RNA) where: Base-Base interactions energy: -1280.233 where: short stacking energy: -534.728 Base-Backbone interact. energy: -0.882 local terms energy: -564.617290 where: bonds (distance) C4'-P energy: -103.622 bonds (distance) P-C4' energy: -114.133 flat angles C4'-P-C4' energy: -118.950 flat angles P-C4'-P energy: -80.170 tors. eta vs tors. theta energy: -147.743 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: 1 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1805.595406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.595406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.595406 (E_RNA) where: Base-Base interactions energy: -1258.570 where: short stacking energy: -523.059 Base-Backbone interact. energy: -0.992 local terms energy: -546.033688 where: bonds (distance) C4'-P energy: -97.429 bonds (distance) P-C4' energy: -107.245 flat angles C4'-P-C4' energy: -114.889 flat angles P-C4'-P energy: -75.818 tors. eta vs tors. theta energy: -150.652 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: 4, replica: 8 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1784.071627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.071627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.071627 (E_RNA) where: Base-Base interactions energy: -1246.772 where: short stacking energy: -507.759 Base-Backbone interact. energy: 0.439 local terms energy: -537.738893 where: bonds (distance) C4'-P energy: -91.921 bonds (distance) P-C4' energy: -105.407 flat angles C4'-P-C4' energy: -120.994 flat angles P-C4'-P energy: -69.321 tors. eta vs tors. theta energy: -150.096 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: 2 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1709.320244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.320244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.320244 (E_RNA) where: Base-Base interactions energy: -1177.275 where: short stacking energy: -495.202 Base-Backbone interact. energy: 1.269 local terms energy: -533.314251 where: bonds (distance) C4'-P energy: -93.658 bonds (distance) P-C4' energy: -109.619 flat angles C4'-P-C4' energy: -114.922 flat angles P-C4'-P energy: -81.197 tors. eta vs tors. theta energy: -133.918 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: 5 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1570.063499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.063499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.063499 (E_RNA) where: Base-Base interactions energy: -1088.161 where: short stacking energy: -457.602 Base-Backbone interact. energy: -0.746 local terms energy: -481.156557 where: bonds (distance) C4'-P energy: -80.951 bonds (distance) P-C4' energy: -102.861 flat angles C4'-P-C4' energy: -101.185 flat angles P-C4'-P energy: -72.030 tors. eta vs tors. theta energy: -124.129 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: 6 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1580.761354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.761354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.761354 (E_RNA) where: Base-Base interactions energy: -1086.967 where: short stacking energy: -451.279 Base-Backbone interact. energy: 1.287 local terms energy: -495.080656 where: bonds (distance) C4'-P energy: -71.458 bonds (distance) P-C4' energy: -109.753 flat angles C4'-P-C4' energy: -116.226 flat angles P-C4'-P energy: -82.741 tors. eta vs tors. theta energy: -114.903 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: 8, replica: 9 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1389.955571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.955571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.955571 (E_RNA) where: Base-Base interactions energy: -941.431 where: short stacking energy: -411.841 Base-Backbone interact. energy: -3.520 local terms energy: -445.004995 where: bonds (distance) C4'-P energy: -85.715 bonds (distance) P-C4' energy: -105.813 flat angles C4'-P-C4' energy: -90.365 flat angles P-C4'-P energy: -63.216 tors. eta vs tors. theta energy: -99.896 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: 9, replica: 10 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1273.984550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.984550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.984550 (E_RNA) where: Base-Base interactions energy: -872.133 where: short stacking energy: -359.175 Base-Backbone interact. energy: -0.158 local terms energy: -401.693666 where: bonds (distance) C4'-P energy: -79.424 bonds (distance) P-C4' energy: -87.714 flat angles C4'-P-C4' energy: -95.497 flat angles P-C4'-P energy: -68.682 tors. eta vs tors. theta energy: -70.376 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: 7 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -1101.249259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.249259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.249259 (E_RNA) where: Base-Base interactions energy: -735.576 where: short stacking energy: -327.156 Base-Backbone interact. energy: -0.798 local terms energy: -364.875418 where: bonds (distance) C4'-P energy: -80.259 bonds (distance) P-C4' energy: -87.147 flat angles C4'-P-C4' energy: -92.241 flat angles P-C4'-P energy: -49.206 tors. eta vs tors. theta energy: -56.023 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: 3 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1901.174030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.174030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.174030 (E_RNA) where: Base-Base interactions energy: -1343.870 where: short stacking energy: -551.653 Base-Backbone interact. energy: -2.689 local terms energy: -554.614836 where: bonds (distance) C4'-P energy: -93.626 bonds (distance) P-C4' energy: -107.070 flat angles C4'-P-C4' energy: -115.744 flat angles P-C4'-P energy: -86.434 tors. eta vs tors. theta energy: -151.742 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: 2, replica: 4 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1838.196955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.196955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.196955 (E_RNA) where: Base-Base interactions energy: -1288.406 where: short stacking energy: -532.059 Base-Backbone interact. energy: -1.889 local terms energy: -547.901745 where: bonds (distance) C4'-P energy: -96.911 bonds (distance) P-C4' energy: -102.791 flat angles C4'-P-C4' energy: -113.697 flat angles P-C4'-P energy: -79.847 tors. eta vs tors. theta energy: -154.656 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: 3, replica: 8 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1788.559217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.559217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.559217 (E_RNA) where: Base-Base interactions energy: -1255.799 where: short stacking energy: -508.509 Base-Backbone interact. energy: -0.092 local terms energy: -532.667309 where: bonds (distance) C4'-P energy: -101.147 bonds (distance) P-C4' energy: -111.087 flat angles C4'-P-C4' energy: -102.759 flat angles P-C4'-P energy: -71.406 tors. eta vs tors. theta energy: -146.268 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: 4, replica: 1 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1782.614266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.614266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.614266 (E_RNA) where: Base-Base interactions energy: -1221.837 where: short stacking energy: -509.845 Base-Backbone interact. energy: -1.523 local terms energy: -559.254074 where: bonds (distance) C4'-P energy: -107.175 bonds (distance) P-C4' energy: -117.076 flat angles C4'-P-C4' energy: -108.041 flat angles P-C4'-P energy: -83.414 tors. eta vs tors. theta energy: -143.548 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: 5, replica: 2 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1699.824666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.824666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.824666 (E_RNA) where: Base-Base interactions energy: -1184.511 where: short stacking energy: -472.179 Base-Backbone interact. energy: -1.196 local terms energy: -514.118475 where: bonds (distance) C4'-P energy: -90.338 bonds (distance) P-C4' energy: -104.660 flat angles C4'-P-C4' energy: -118.891 flat angles P-C4'-P energy: -63.293 tors. eta vs tors. theta energy: -136.937 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: 5 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1600.757239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.757239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.757239 (E_RNA) where: Base-Base interactions energy: -1083.862 where: short stacking energy: -476.355 Base-Backbone interact. energy: -0.857 local terms energy: -516.038199 where: bonds (distance) C4'-P energy: -86.904 bonds (distance) P-C4' energy: -117.037 flat angles C4'-P-C4' energy: -106.258 flat angles P-C4'-P energy: -72.530 tors. eta vs tors. theta energy: -133.309 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: 7, replica: 6 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1570.835846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.835846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.835846 (E_RNA) where: Base-Base interactions energy: -1081.670 where: short stacking energy: -430.180 Base-Backbone interact. energy: 2.146 local terms energy: -491.311729 where: bonds (distance) C4'-P energy: -90.376 bonds (distance) P-C4' energy: -106.239 flat angles C4'-P-C4' energy: -103.431 flat angles P-C4'-P energy: -74.778 tors. eta vs tors. theta energy: -116.487 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: 9 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1411.289121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.289121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.289121 (E_RNA) where: Base-Base interactions energy: -957.770 where: short stacking energy: -417.660 Base-Backbone interact. energy: 1.497 local terms energy: -455.016018 where: bonds (distance) C4'-P energy: -80.936 bonds (distance) P-C4' energy: -110.297 flat angles C4'-P-C4' energy: -106.277 flat angles P-C4'-P energy: -61.781 tors. eta vs tors. theta energy: -95.725 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: 10 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -1291.064452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.064452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.064452 (E_RNA) where: Base-Base interactions energy: -882.607 where: short stacking energy: -373.208 Base-Backbone interact. energy: 3.276 local terms energy: -411.732750 where: bonds (distance) C4'-P energy: -82.648 bonds (distance) P-C4' energy: -91.875 flat angles C4'-P-C4' energy: -99.452 flat angles P-C4'-P energy: -64.552 tors. eta vs tors. theta energy: -73.206 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: 10, replica: 7 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -1080.550124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.550124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.550124 (E_RNA) where: Base-Base interactions energy: -711.578 where: short stacking energy: -328.401 Base-Backbone interact. energy: -4.370 local terms energy: -364.602044 where: bonds (distance) C4'-P energy: -81.325 bonds (distance) P-C4' energy: -85.828 flat angles C4'-P-C4' energy: -74.893 flat angles P-C4'-P energy: -62.007 tors. eta vs tors. theta energy: -60.550 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: 1, replica: 3 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1907.103700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.103700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.103700 (E_RNA) where: Base-Base interactions energy: -1329.962 where: short stacking energy: -540.989 Base-Backbone interact. energy: -1.393 local terms energy: -575.748134 where: bonds (distance) C4'-P energy: -106.038 bonds (distance) P-C4' energy: -117.241 flat angles C4'-P-C4' energy: -116.824 flat angles P-C4'-P energy: -80.607 tors. eta vs tors. theta energy: -155.039 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: 2, replica: 8 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1843.088927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.088927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.088927 (E_RNA) where: Base-Base interactions energy: -1276.424 where: short stacking energy: -540.682 Base-Backbone interact. energy: 0.400 local terms energy: -567.065431 where: bonds (distance) C4'-P energy: -93.119 bonds (distance) P-C4' energy: -121.512 flat angles C4'-P-C4' energy: -122.814 flat angles P-C4'-P energy: -73.195 tors. eta vs tors. theta energy: -156.425 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: 3, replica: 4 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1802.651763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.651763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.651763 (E_RNA) where: Base-Base interactions energy: -1260.708 where: short stacking energy: -515.579 Base-Backbone interact. energy: -3.500 local terms energy: -538.443465 where: bonds (distance) C4'-P energy: -93.468 bonds (distance) P-C4' energy: -116.262 flat angles C4'-P-C4' energy: -120.212 flat angles P-C4'-P energy: -72.979 tors. eta vs tors. theta energy: -135.522 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: 1 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1753.061627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.061627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.061627 (E_RNA) where: Base-Base interactions energy: -1216.282 where: short stacking energy: -515.596 Base-Backbone interact. energy: -0.155 local terms energy: -536.624573 where: bonds (distance) C4'-P energy: -98.408 bonds (distance) P-C4' energy: -104.383 flat angles C4'-P-C4' energy: -119.526 flat angles P-C4'-P energy: -78.968 tors. eta vs tors. theta energy: -135.339 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: 2 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1729.426385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.426385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.426385 (E_RNA) where: Base-Base interactions energy: -1215.044 where: short stacking energy: -507.327 Base-Backbone interact. energy: 6.722 local terms energy: -521.104241 where: bonds (distance) C4'-P energy: -104.757 bonds (distance) P-C4' energy: -99.838 flat angles C4'-P-C4' energy: -112.259 flat angles P-C4'-P energy: -69.929 tors. eta vs tors. theta energy: -134.320 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: 6, replica: 5 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1578.220843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.220843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.220843 (E_RNA) where: Base-Base interactions energy: -1083.567 where: short stacking energy: -461.261 Base-Backbone interact. energy: 1.984 local terms energy: -496.637306 where: bonds (distance) C4'-P energy: -98.336 bonds (distance) P-C4' energy: -90.334 flat angles C4'-P-C4' energy: -91.560 flat angles P-C4'-P energy: -83.833 tors. eta vs tors. theta energy: -132.574 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: 7, replica: 6 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1580.283728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.283728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.283728 (E_RNA) where: Base-Base interactions energy: -1112.394 where: short stacking energy: -472.755 Base-Backbone interact. energy: -1.303 local terms energy: -466.586340 where: bonds (distance) C4'-P energy: -93.510 bonds (distance) P-C4' energy: -92.089 flat angles C4'-P-C4' energy: -101.394 flat angles P-C4'-P energy: -59.133 tors. eta vs tors. theta energy: -120.461 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: 8, replica: 9 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1405.771254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.771254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.771254 (E_RNA) where: Base-Base interactions energy: -948.296 where: short stacking energy: -394.133 Base-Backbone interact. energy: -2.477 local terms energy: -454.997959 where: bonds (distance) C4'-P energy: -72.690 bonds (distance) P-C4' energy: -99.008 flat angles C4'-P-C4' energy: -114.215 flat angles P-C4'-P energy: -73.083 tors. eta vs tors. theta energy: -96.002 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: 9, replica: 10 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -1258.394205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.394205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.394205 (E_RNA) where: Base-Base interactions energy: -850.535 where: short stacking energy: -360.321 Base-Backbone interact. energy: 1.094 local terms energy: -408.953626 where: bonds (distance) C4'-P energy: -90.945 bonds (distance) P-C4' energy: -103.247 flat angles C4'-P-C4' energy: -95.568 flat angles P-C4'-P energy: -44.117 tors. eta vs tors. theta energy: -75.077 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: 7 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -1099.448103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.448103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.448103 (E_RNA) where: Base-Base interactions energy: -720.083 where: short stacking energy: -311.451 Base-Backbone interact. energy: 7.969 local terms energy: -387.333416 where: bonds (distance) C4'-P energy: -86.006 bonds (distance) P-C4' energy: -101.028 flat angles C4'-P-C4' energy: -91.765 flat angles P-C4'-P energy: -39.363 tors. eta vs tors. theta energy: -69.170 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: 1, replica: 3 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1895.257410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.257410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.257410 (E_RNA) where: Base-Base interactions energy: -1319.251 where: short stacking energy: -536.791 Base-Backbone interact. energy: 3.986 local terms energy: -579.992268 where: bonds (distance) C4'-P energy: -97.135 bonds (distance) P-C4' energy: -117.205 flat angles C4'-P-C4' energy: -127.424 flat angles P-C4'-P energy: -86.189 tors. eta vs tors. theta energy: -152.039 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: 2, replica: 8 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1835.724365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.724365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.724365 (E_RNA) where: Base-Base interactions energy: -1270.728 where: short stacking energy: -541.685 Base-Backbone interact. energy: 0.937 local terms energy: -565.933258 where: bonds (distance) C4'-P energy: -98.073 bonds (distance) P-C4' energy: -112.098 flat angles C4'-P-C4' energy: -115.329 flat angles P-C4'-P energy: -83.199 tors. eta vs tors. theta energy: -157.235 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: 3, replica: 4 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1786.528244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.528244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.528244 (E_RNA) where: Base-Base interactions energy: -1249.006 where: short stacking energy: -520.396 Base-Backbone interact. energy: 5.054 local terms energy: -542.576230 where: bonds (distance) C4'-P energy: -96.421 bonds (distance) P-C4' energy: -118.043 flat angles C4'-P-C4' energy: -106.164 flat angles P-C4'-P energy: -80.365 tors. eta vs tors. theta energy: -141.584 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: 82 Temperature: 1.050000 Total energy: -1758.155110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.155110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.155110 (E_RNA) where: Base-Base interactions energy: -1222.297 where: short stacking energy: -513.948 Base-Backbone interact. energy: 1.605 local terms energy: -537.462922 where: bonds (distance) C4'-P energy: -101.227 bonds (distance) P-C4' energy: -113.769 flat angles C4'-P-C4' energy: -111.132 flat angles P-C4'-P energy: -74.752 tors. eta vs tors. theta energy: -136.583 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: 2 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1703.649018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.649018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.649018 (E_RNA) where: Base-Base interactions energy: -1186.540 where: short stacking energy: -497.621 Base-Backbone interact. energy: 1.287 local terms energy: -518.395929 where: bonds (distance) C4'-P energy: -90.073 bonds (distance) P-C4' energy: -102.698 flat angles C4'-P-C4' energy: -114.786 flat angles P-C4'-P energy: -69.847 tors. eta vs tors. theta energy: -140.992 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: 5 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1555.004375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.004375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.004375 (E_RNA) where: Base-Base interactions energy: -1072.033 where: short stacking energy: -463.621 Base-Backbone interact. energy: 0.128 local terms energy: -483.099579 where: bonds (distance) C4'-P energy: -85.865 bonds (distance) P-C4' energy: -105.891 flat angles C4'-P-C4' energy: -102.252 flat angles P-C4'-P energy: -62.511 tors. eta vs tors. theta energy: -126.581 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: 6 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1542.378820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.378820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.378820 (E_RNA) where: Base-Base interactions energy: -1065.956 where: short stacking energy: -457.332 Base-Backbone interact. energy: -0.243 local terms energy: -476.179575 where: bonds (distance) C4'-P energy: -82.340 bonds (distance) P-C4' energy: -105.825 flat angles C4'-P-C4' energy: -99.665 flat angles P-C4'-P energy: -68.846 tors. eta vs tors. theta energy: -119.504 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: 9 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1397.471534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.471534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.471534 (E_RNA) where: Base-Base interactions energy: -919.636 where: short stacking energy: -395.607 Base-Backbone interact. energy: -0.775 local terms energy: -477.059773 where: bonds (distance) C4'-P energy: -83.109 bonds (distance) P-C4' energy: -107.259 flat angles C4'-P-C4' energy: -105.811 flat angles P-C4'-P energy: -79.175 tors. eta vs tors. theta energy: -101.706 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: 9, replica: 10 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -1257.137887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.137887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.137887 (E_RNA) where: Base-Base interactions energy: -849.760 where: short stacking energy: -373.019 Base-Backbone interact. energy: -0.637 local terms energy: -406.740653 where: bonds (distance) C4'-P energy: -83.900 bonds (distance) P-C4' energy: -94.931 flat angles C4'-P-C4' energy: -100.581 flat angles P-C4'-P energy: -47.886 tors. eta vs tors. theta energy: -79.443 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: 10, replica: 7 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -1092.759595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.759595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.759595 (E_RNA) where: Base-Base interactions energy: -724.179 where: short stacking energy: -331.188 Base-Backbone interact. energy: 1.668 local terms energy: -370.248581 where: bonds (distance) C4'-P energy: -86.629 bonds (distance) P-C4' energy: -89.081 flat angles C4'-P-C4' energy: -73.120 flat angles P-C4'-P energy: -50.554 tors. eta vs tors. theta energy: -70.865 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: 3 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1890.954875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.954875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.954875 (E_RNA) where: Base-Base interactions energy: -1313.242 where: short stacking energy: -549.082 Base-Backbone interact. energy: -1.477 local terms energy: -576.235439 where: bonds (distance) C4'-P energy: -103.781 bonds (distance) P-C4' energy: -113.604 flat angles C4'-P-C4' energy: -114.330 flat angles P-C4'-P energy: -87.057 tors. eta vs tors. theta energy: -157.464 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: 2, replica: 8 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1830.598862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.598862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.598862 (E_RNA) where: Base-Base interactions energy: -1265.797 where: short stacking energy: -532.544 Base-Backbone interact. energy: -1.505 local terms energy: -563.296386 where: bonds (distance) C4'-P energy: -100.801 bonds (distance) P-C4' energy: -107.847 flat angles C4'-P-C4' energy: -127.369 flat angles P-C4'-P energy: -75.614 tors. eta vs tors. theta energy: -151.665 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: 3, replica: 4 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1814.161022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.161022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.161022 (E_RNA) where: Base-Base interactions energy: -1279.329 where: short stacking energy: -514.091 Base-Backbone interact. energy: -1.460 local terms energy: -533.372595 where: bonds (distance) C4'-P energy: -88.206 bonds (distance) P-C4' energy: -111.558 flat angles C4'-P-C4' energy: -106.845 flat angles P-C4'-P energy: -83.883 tors. eta vs tors. theta energy: -142.881 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: 4, replica: 1 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1754.007543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.007543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.007543 (E_RNA) where: Base-Base interactions energy: -1246.241 where: short stacking energy: -507.782 Base-Backbone interact. energy: 5.586 local terms energy: -513.351899 where: bonds (distance) C4'-P energy: -91.312 bonds (distance) P-C4' energy: -100.997 flat angles C4'-P-C4' energy: -102.813 flat angles P-C4'-P energy: -74.282 tors. eta vs tors. theta energy: -143.948 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: 2 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1734.505502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.505502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.505502 (E_RNA) where: Base-Base interactions energy: -1189.183 where: short stacking energy: -501.383 Base-Backbone interact. energy: -0.815 local terms energy: -544.507215 where: bonds (distance) C4'-P energy: -102.908 bonds (distance) P-C4' energy: -104.769 flat angles C4'-P-C4' energy: -114.470 flat angles P-C4'-P energy: -74.061 tors. eta vs tors. theta energy: -148.299 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: 6, replica: 6 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1637.242061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.242061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.242061 (E_RNA) where: Base-Base interactions energy: -1132.340 where: short stacking energy: -469.572 Base-Backbone interact. energy: 3.978 local terms energy: -508.880343 where: bonds (distance) C4'-P energy: -87.652 bonds (distance) P-C4' energy: -97.785 flat angles C4'-P-C4' energy: -116.846 flat angles P-C4'-P energy: -79.354 tors. eta vs tors. theta energy: -127.243 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: 7, replica: 5 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1552.530085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.530085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.530085 (E_RNA) where: Base-Base interactions energy: -1065.249 where: short stacking energy: -447.509 Base-Backbone interact. energy: 3.609 local terms energy: -490.890580 where: bonds (distance) C4'-P energy: -84.612 bonds (distance) P-C4' energy: -108.153 flat angles C4'-P-C4' energy: -107.904 flat angles P-C4'-P energy: -75.793 tors. eta vs tors. theta energy: -114.430 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: 9 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1376.215506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.215506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.215506 (E_RNA) where: Base-Base interactions energy: -918.318 where: short stacking energy: -393.278 Base-Backbone interact. energy: 0.632 local terms energy: -458.530103 where: bonds (distance) C4'-P energy: -101.662 bonds (distance) P-C4' energy: -111.101 flat angles C4'-P-C4' energy: -98.728 flat angles P-C4'-P energy: -54.887 tors. eta vs tors. theta energy: -92.152 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: 9, replica: 10 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -1284.177529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.177529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.177529 (E_RNA) where: Base-Base interactions energy: -835.989 where: short stacking energy: -362.361 Base-Backbone interact. energy: -0.886 local terms energy: -447.302346 where: bonds (distance) C4'-P energy: -89.580 bonds (distance) P-C4' energy: -104.457 flat angles C4'-P-C4' energy: -99.546 flat angles P-C4'-P energy: -77.710 tors. eta vs tors. theta energy: -76.010 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: 10, replica: 7 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -1089.592979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.592979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.592979 (E_RNA) where: Base-Base interactions energy: -712.386 where: short stacking energy: -317.288 Base-Backbone interact. energy: -3.745 local terms energy: -373.461563 where: bonds (distance) C4'-P energy: -73.357 bonds (distance) P-C4' energy: -86.388 flat angles C4'-P-C4' energy: -90.144 flat angles P-C4'-P energy: -64.785 tors. eta vs tors. theta energy: -58.788 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: 3 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1889.784545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.784545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.784545 (E_RNA) where: Base-Base interactions energy: -1328.398 where: short stacking energy: -551.863 Base-Backbone interact. energy: 3.161 local terms energy: -564.546936 where: bonds (distance) C4'-P energy: -106.252 bonds (distance) P-C4' energy: -111.202 flat angles C4'-P-C4' energy: -111.938 flat angles P-C4'-P energy: -79.190 tors. eta vs tors. theta energy: -155.964 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: 8 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1849.214019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.214019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.214019 (E_RNA) where: Base-Base interactions energy: -1276.365 where: short stacking energy: -552.283 Base-Backbone interact. energy: -0.578 local terms energy: -572.271811 where: bonds (distance) C4'-P energy: -97.309 bonds (distance) P-C4' energy: -114.989 flat angles C4'-P-C4' energy: -121.996 flat angles P-C4'-P energy: -82.386 tors. eta vs tors. theta energy: -155.593 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: 4 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1794.742928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.742928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.742928 (E_RNA) where: Base-Base interactions energy: -1264.048 where: short stacking energy: -522.906 Base-Backbone interact. energy: 0.038 local terms energy: -530.732519 where: bonds (distance) C4'-P energy: -87.283 bonds (distance) P-C4' energy: -117.019 flat angles C4'-P-C4' energy: -105.976 flat angles P-C4'-P energy: -82.716 tors. eta vs tors. theta energy: -137.739 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: 1 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1767.769738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.769738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.769738 (E_RNA) where: Base-Base interactions energy: -1240.429 where: short stacking energy: -499.958 Base-Backbone interact. energy: 0.767 local terms energy: -528.108491 where: bonds (distance) C4'-P energy: -100.479 bonds (distance) P-C4' energy: -104.770 flat angles C4'-P-C4' energy: -109.198 flat angles P-C4'-P energy: -77.939 tors. eta vs tors. theta energy: -135.723 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: 5, replica: 2 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1710.359209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.359209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.359209 (E_RNA) where: Base-Base interactions energy: -1169.558 where: short stacking energy: -496.936 Base-Backbone interact. energy: 0.582 local terms energy: -541.382600 where: bonds (distance) C4'-P energy: -95.632 bonds (distance) P-C4' energy: -112.462 flat angles C4'-P-C4' energy: -118.948 flat angles P-C4'-P energy: -79.921 tors. eta vs tors. theta energy: -134.419 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: 6, replica: 6 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1592.729000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.729000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.729000 (E_RNA) where: Base-Base interactions energy: -1135.246 where: short stacking energy: -446.125 Base-Backbone interact. energy: 0.154 local terms energy: -457.636778 where: bonds (distance) C4'-P energy: -85.150 bonds (distance) P-C4' energy: -99.762 flat angles C4'-P-C4' energy: -101.864 flat angles P-C4'-P energy: -58.180 tors. eta vs tors. theta energy: -112.681 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: 5 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1528.299683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.299683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.299683 (E_RNA) where: Base-Base interactions energy: -1058.873 where: short stacking energy: -445.081 Base-Backbone interact. energy: 1.860 local terms energy: -471.286390 where: bonds (distance) C4'-P energy: -74.102 bonds (distance) P-C4' energy: -95.858 flat angles C4'-P-C4' energy: -107.833 flat angles P-C4'-P energy: -66.874 tors. eta vs tors. theta energy: -126.620 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: 8, replica: 9 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1376.921811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.921811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.921811 (E_RNA) where: Base-Base interactions energy: -934.535 where: short stacking energy: -383.164 Base-Backbone interact. energy: 6.409 local terms energy: -448.795657 where: bonds (distance) C4'-P energy: -94.025 bonds (distance) P-C4' energy: -100.459 flat angles C4'-P-C4' energy: -112.467 flat angles P-C4'-P energy: -65.176 tors. eta vs tors. theta energy: -76.669 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: 10 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -1260.408107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.408107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.408107 (E_RNA) where: Base-Base interactions energy: -834.354 where: short stacking energy: -342.868 Base-Backbone interact. energy: -1.847 local terms energy: -424.207390 where: bonds (distance) C4'-P energy: -88.646 bonds (distance) P-C4' energy: -103.934 flat angles C4'-P-C4' energy: -89.732 flat angles P-C4'-P energy: -54.091 tors. eta vs tors. theta energy: -87.804 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: 10, replica: 7 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -1116.034423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.034423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.034423 (E_RNA) where: Base-Base interactions energy: -727.404 where: short stacking energy: -322.732 Base-Backbone interact. energy: 0.505 local terms energy: -389.135416 where: bonds (distance) C4'-P energy: -77.301 bonds (distance) P-C4' energy: -95.908 flat angles C4'-P-C4' energy: -85.550 flat angles P-C4'-P energy: -58.577 tors. eta vs tors. theta energy: -71.799 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: 3 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1885.256598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.256598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.256598 (E_RNA) where: Base-Base interactions energy: -1318.200 where: short stacking energy: -553.213 Base-Backbone interact. energy: -0.637 local terms energy: -566.419675 where: bonds (distance) C4'-P energy: -98.386 bonds (distance) P-C4' energy: -110.678 flat angles C4'-P-C4' energy: -111.987 flat angles P-C4'-P energy: -91.907 tors. eta vs tors. theta energy: -153.462 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: 2, replica: 8 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1867.229336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.229336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.229336 (E_RNA) where: Base-Base interactions energy: -1295.057 where: short stacking energy: -549.149 Base-Backbone interact. energy: 1.441 local terms energy: -573.613358 where: bonds (distance) C4'-P energy: -97.894 bonds (distance) P-C4' energy: -112.030 flat angles C4'-P-C4' energy: -123.830 flat angles P-C4'-P energy: -80.839 tors. eta vs tors. theta energy: -159.021 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: 3, replica: 4 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1778.862040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.862040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.862040 (E_RNA) where: Base-Base interactions energy: -1239.391 where: short stacking energy: -522.483 Base-Backbone interact. energy: -1.896 local terms energy: -537.574894 where: bonds (distance) C4'-P energy: -103.725 bonds (distance) P-C4' energy: -102.944 flat angles C4'-P-C4' energy: -108.134 flat angles P-C4'-P energy: -75.587 tors. eta vs tors. theta energy: -147.185 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: 1 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1798.631417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.631417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.631417 (E_RNA) where: Base-Base interactions energy: -1262.383 where: short stacking energy: -532.007 Base-Backbone interact. energy: 1.630 local terms energy: -537.878663 where: bonds (distance) C4'-P energy: -103.739 bonds (distance) P-C4' energy: -107.996 flat angles C4'-P-C4' energy: -108.261 flat angles P-C4'-P energy: -76.809 tors. eta vs tors. theta energy: -141.075 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: 5, replica: 2 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1741.142392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.142392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.142392 (E_RNA) where: Base-Base interactions energy: -1229.600 where: short stacking energy: -503.701 Base-Backbone interact. energy: 2.698 local terms energy: -514.240741 where: bonds (distance) C4'-P energy: -96.380 bonds (distance) P-C4' energy: -89.525 flat angles C4'-P-C4' energy: -99.914 flat angles P-C4'-P energy: -84.448 tors. eta vs tors. theta energy: -143.973 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: 6 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1611.213645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.213645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.213645 (E_RNA) where: Base-Base interactions energy: -1098.699 where: short stacking energy: -455.865 Base-Backbone interact. energy: 0.536 local terms energy: -513.051119 where: bonds (distance) C4'-P energy: -85.504 bonds (distance) P-C4' energy: -114.415 flat angles C4'-P-C4' energy: -103.344 flat angles P-C4'-P energy: -75.945 tors. eta vs tors. theta energy: -133.844 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: 5 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1512.042914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.042914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.042914 (E_RNA) where: Base-Base interactions energy: -1025.877 where: short stacking energy: -433.080 Base-Backbone interact. energy: 1.498 local terms energy: -487.664327 where: bonds (distance) C4'-P energy: -102.040 bonds (distance) P-C4' energy: -105.685 flat angles C4'-P-C4' energy: -96.819 flat angles P-C4'-P energy: -62.075 tors. eta vs tors. theta energy: -121.045 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: 9 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1415.602991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.602991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.602991 (E_RNA) where: Base-Base interactions energy: -965.155 where: short stacking energy: -390.176 Base-Backbone interact. energy: -0.410 local terms energy: -450.038182 where: bonds (distance) C4'-P energy: -87.714 bonds (distance) P-C4' energy: -96.640 flat angles C4'-P-C4' energy: -107.227 flat angles P-C4'-P energy: -64.041 tors. eta vs tors. theta energy: -94.417 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: 10 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1218.307100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.307100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.307100 (E_RNA) where: Base-Base interactions energy: -797.856 where: short stacking energy: -335.373 Base-Backbone interact. energy: 1.653 local terms energy: -422.103423 where: bonds (distance) C4'-P energy: -94.052 bonds (distance) P-C4' energy: -97.782 flat angles C4'-P-C4' energy: -94.600 flat angles P-C4'-P energy: -70.815 tors. eta vs tors. theta energy: -64.854 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: 7 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -1163.798200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.798200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.798200 (E_RNA) where: Base-Base interactions energy: -748.627 where: short stacking energy: -327.082 Base-Backbone interact. energy: -2.383 local terms energy: -412.788216 where: bonds (distance) C4'-P energy: -82.346 bonds (distance) P-C4' energy: -105.988 flat angles C4'-P-C4' energy: -93.129 flat angles P-C4'-P energy: -68.976 tors. eta vs tors. theta energy: -62.349 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: 1, replica: 8 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1904.874810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.874810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.874810 (E_RNA) where: Base-Base interactions energy: -1326.161 where: short stacking energy: -557.137 Base-Backbone interact. energy: -2.213 local terms energy: -576.500166 where: bonds (distance) C4'-P energy: -87.591 bonds (distance) P-C4' energy: -123.891 flat angles C4'-P-C4' energy: -119.632 flat angles P-C4'-P energy: -85.599 tors. eta vs tors. theta energy: -159.788 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: 2, replica: 3 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1863.998604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.998604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.998604 (E_RNA) where: Base-Base interactions energy: -1301.755 where: short stacking energy: -542.771 Base-Backbone interact. energy: -1.596 local terms energy: -560.647523 where: bonds (distance) C4'-P energy: -90.354 bonds (distance) P-C4' energy: -106.604 flat angles C4'-P-C4' energy: -125.712 flat angles P-C4'-P energy: -83.178 tors. eta vs tors. theta energy: -154.799 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: 3, replica: 1 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1817.891212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.891212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.891212 (E_RNA) where: Base-Base interactions energy: -1277.718 where: short stacking energy: -526.337 Base-Backbone interact. energy: -0.926 local terms energy: -539.247621 where: bonds (distance) C4'-P energy: -93.931 bonds (distance) P-C4' energy: -103.722 flat angles C4'-P-C4' energy: -109.995 flat angles P-C4'-P energy: -79.382 tors. eta vs tors. theta energy: -152.218 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: 86 Temperature: 1.050000 Total energy: -1798.138875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.138875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.138875 (E_RNA) where: Base-Base interactions energy: -1254.882 where: short stacking energy: -514.192 Base-Backbone interact. energy: -0.485 local terms energy: -542.771837 where: bonds (distance) C4'-P energy: -92.541 bonds (distance) P-C4' energy: -107.024 flat angles C4'-P-C4' energy: -110.601 flat angles P-C4'-P energy: -85.171 tors. eta vs tors. theta energy: -147.435 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: 5, replica: 2 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1738.907973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.907973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.907973 (E_RNA) where: Base-Base interactions energy: -1222.784 where: short stacking energy: -527.643 Base-Backbone interact. energy: -1.011 local terms energy: -515.113159 where: bonds (distance) C4'-P energy: -88.870 bonds (distance) P-C4' energy: -98.094 flat angles C4'-P-C4' energy: -107.590 flat angles P-C4'-P energy: -73.572 tors. eta vs tors. theta energy: -146.988 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: 6 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1646.143895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.143895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.143895 (E_RNA) where: Base-Base interactions energy: -1135.872 where: short stacking energy: -471.740 Base-Backbone interact. energy: -1.155 local terms energy: -509.117040 where: bonds (distance) C4'-P energy: -103.894 bonds (distance) P-C4' energy: -95.831 flat angles C4'-P-C4' energy: -102.872 flat angles P-C4'-P energy: -73.982 tors. eta vs tors. theta energy: -132.538 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: 7, replica: 9 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1435.372800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.372800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.372800 (E_RNA) where: Base-Base interactions energy: -964.209 where: short stacking energy: -416.644 Base-Backbone interact. energy: 3.573 local terms energy: -474.736651 where: bonds (distance) C4'-P energy: -84.294 bonds (distance) P-C4' energy: -94.760 flat angles C4'-P-C4' energy: -112.013 flat angles P-C4'-P energy: -74.016 tors. eta vs tors. theta energy: -109.653 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: 8, replica: 5 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1485.252896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.252896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.252896 (E_RNA) where: Base-Base interactions energy: -1025.952 where: short stacking energy: -434.204 Base-Backbone interact. energy: -0.044 local terms energy: -459.256917 where: bonds (distance) C4'-P energy: -89.422 bonds (distance) P-C4' energy: -103.356 flat angles C4'-P-C4' energy: -91.523 flat angles P-C4'-P energy: -69.201 tors. eta vs tors. theta energy: -105.755 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: 9, replica: 10 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -1231.626263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.626263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.626263 (E_RNA) where: Base-Base interactions energy: -821.630 where: short stacking energy: -362.334 Base-Backbone interact. energy: 4.946 local terms energy: -414.942944 where: bonds (distance) C4'-P energy: -93.104 bonds (distance) P-C4' energy: -87.650 flat angles C4'-P-C4' energy: -95.894 flat angles P-C4'-P energy: -57.738 tors. eta vs tors. theta energy: -80.557 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: 10, replica: 7 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -1115.666599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.666599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.666599 (E_RNA) where: Base-Base interactions energy: -726.138 where: short stacking energy: -324.988 Base-Backbone interact. energy: 3.372 local terms energy: -392.900434 where: bonds (distance) C4'-P energy: -86.573 bonds (distance) P-C4' energy: -104.977 flat angles C4'-P-C4' energy: -81.392 flat angles P-C4'-P energy: -62.062 tors. eta vs tors. theta energy: -57.895 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: 1, replica: 8 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1891.648666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.648666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.648666 (E_RNA) where: Base-Base interactions energy: -1336.363 where: short stacking energy: -553.927 Base-Backbone interact. energy: -2.282 local terms energy: -553.003897 where: bonds (distance) C4'-P energy: -89.727 bonds (distance) P-C4' energy: -112.111 flat angles C4'-P-C4' energy: -115.658 flat angles P-C4'-P energy: -81.693 tors. eta vs tors. theta energy: -153.815 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: 3 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1888.389054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.389054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.389054 (E_RNA) where: Base-Base interactions energy: -1319.092 where: short stacking energy: -549.468 Base-Backbone interact. energy: -2.016 local terms energy: -567.280638 where: bonds (distance) C4'-P energy: -94.164 bonds (distance) P-C4' energy: -116.482 flat angles C4'-P-C4' energy: -116.530 flat angles P-C4'-P energy: -85.187 tors. eta vs tors. theta energy: -154.916 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: 3, replica: 1 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1819.942276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.942276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.942276 (E_RNA) where: Base-Base interactions energy: -1280.715 where: short stacking energy: -527.653 Base-Backbone interact. energy: -1.087 local terms energy: -538.140467 where: bonds (distance) C4'-P energy: -76.670 bonds (distance) P-C4' energy: -109.052 flat angles C4'-P-C4' energy: -117.980 flat angles P-C4'-P energy: -86.241 tors. eta vs tors. theta energy: -148.198 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: 4 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1779.712351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.712351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.712351 (E_RNA) where: Base-Base interactions energy: -1262.559 where: short stacking energy: -504.340 Base-Backbone interact. energy: 1.411 local terms energy: -518.563683 where: bonds (distance) C4'-P energy: -92.827 bonds (distance) P-C4' energy: -99.106 flat angles C4'-P-C4' energy: -114.757 flat angles P-C4'-P energy: -75.365 tors. eta vs tors. theta energy: -136.508 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: 5, replica: 2 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1747.002333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.002333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.002333 (E_RNA) where: Base-Base interactions energy: -1215.947 where: short stacking energy: -500.116 Base-Backbone interact. energy: -2.362 local terms energy: -528.693382 where: bonds (distance) C4'-P energy: -89.453 bonds (distance) P-C4' energy: -112.738 flat angles C4'-P-C4' energy: -107.200 flat angles P-C4'-P energy: -84.642 tors. eta vs tors. theta energy: -134.659 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: 6 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1674.991569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.991569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.991569 (E_RNA) where: Base-Base interactions energy: -1168.100 where: short stacking energy: -481.169 Base-Backbone interact. energy: -0.337 local terms energy: -506.554308 where: bonds (distance) C4'-P energy: -89.583 bonds (distance) P-C4' energy: -110.603 flat angles C4'-P-C4' energy: -98.771 flat angles P-C4'-P energy: -77.443 tors. eta vs tors. theta energy: -130.153 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: 7, replica: 9 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1448.686391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.686391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.686391 (E_RNA) where: Base-Base interactions energy: -968.173 where: short stacking energy: -410.354 Base-Backbone interact. energy: 2.500 local terms energy: -483.013537 where: bonds (distance) C4'-P energy: -94.426 bonds (distance) P-C4' energy: -105.853 flat angles C4'-P-C4' energy: -107.096 flat angles P-C4'-P energy: -74.373 tors. eta vs tors. theta energy: -101.266 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: 5 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1470.475359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.475359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.475359 (E_RNA) where: Base-Base interactions energy: -1012.343 where: short stacking energy: -413.549 Base-Backbone interact. energy: 0.859 local terms energy: -458.991730 where: bonds (distance) C4'-P energy: -86.493 bonds (distance) P-C4' energy: -96.263 flat angles C4'-P-C4' energy: -102.645 flat angles P-C4'-P energy: -69.827 tors. eta vs tors. theta energy: -103.765 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: 9, replica: 10 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -1260.675223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.675223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.675223 (E_RNA) where: Base-Base interactions energy: -846.272 where: short stacking energy: -358.616 Base-Backbone interact. energy: 1.874 local terms energy: -416.277516 where: bonds (distance) C4'-P energy: -86.794 bonds (distance) P-C4' energy: -98.663 flat angles C4'-P-C4' energy: -86.485 flat angles P-C4'-P energy: -61.700 tors. eta vs tors. theta energy: -82.636 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: 10, replica: 7 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -1095.374221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.374221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.374221 (E_RNA) where: Base-Base interactions energy: -689.948 where: short stacking energy: -318.471 Base-Backbone interact. energy: -3.594 local terms energy: -401.832812 where: bonds (distance) C4'-P energy: -86.810 bonds (distance) P-C4' energy: -99.204 flat angles C4'-P-C4' energy: -93.212 flat angles P-C4'-P energy: -53.352 tors. eta vs tors. theta energy: -69.255 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: 8 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1889.174344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.174344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.174344 (E_RNA) where: Base-Base interactions energy: -1326.782 where: short stacking energy: -537.938 Base-Backbone interact. energy: -0.300 local terms energy: -562.091688 where: bonds (distance) C4'-P energy: -101.701 bonds (distance) P-C4' energy: -112.692 flat angles C4'-P-C4' energy: -118.626 flat angles P-C4'-P energy: -76.464 tors. eta vs tors. theta energy: -152.609 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: 3 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1877.733814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.733814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.733814 (E_RNA) where: Base-Base interactions energy: -1308.574 where: short stacking energy: -545.784 Base-Backbone interact. energy: -1.705 local terms energy: -567.454246 where: bonds (distance) C4'-P energy: -90.773 bonds (distance) P-C4' energy: -120.227 flat angles C4'-P-C4' energy: -119.851 flat angles P-C4'-P energy: -83.167 tors. eta vs tors. theta energy: -153.437 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: 4 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1829.250962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.250962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.250962 (E_RNA) where: Base-Base interactions energy: -1294.112 where: short stacking energy: -549.271 Base-Backbone interact. energy: 1.002 local terms energy: -536.141076 where: bonds (distance) C4'-P energy: -96.606 bonds (distance) P-C4' energy: -104.740 flat angles C4'-P-C4' energy: -107.454 flat angles P-C4'-P energy: -77.087 tors. eta vs tors. theta energy: -150.254 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: 1 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1759.274582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.274582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.274582 (E_RNA) where: Base-Base interactions energy: -1225.238 where: short stacking energy: -505.855 Base-Backbone interact. energy: 6.573 local terms energy: -540.609477 where: bonds (distance) C4'-P energy: -94.193 bonds (distance) P-C4' energy: -111.735 flat angles C4'-P-C4' energy: -120.656 flat angles P-C4'-P energy: -72.689 tors. eta vs tors. theta energy: -141.337 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: 2 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1744.395845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.395845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.395845 (E_RNA) where: Base-Base interactions energy: -1207.107 where: short stacking energy: -507.631 Base-Backbone interact. energy: 0.544 local terms energy: -537.832168 where: bonds (distance) C4'-P energy: -93.821 bonds (distance) P-C4' energy: -98.618 flat angles C4'-P-C4' energy: -115.704 flat angles P-C4'-P energy: -76.809 tors. eta vs tors. theta energy: -152.879 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: 6, replica: 6 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1685.958232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.958232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.958232 (E_RNA) where: Base-Base interactions energy: -1166.619 where: short stacking energy: -474.456 Base-Backbone interact. energy: 5.274 local terms energy: -524.613414 where: bonds (distance) C4'-P energy: -94.020 bonds (distance) P-C4' energy: -102.125 flat angles C4'-P-C4' energy: -118.238 flat angles P-C4'-P energy: -75.455 tors. eta vs tors. theta energy: -134.775 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: 7, replica: 5 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1490.497195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.497195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.497195 (E_RNA) where: Base-Base interactions energy: -1015.324 where: short stacking energy: -410.511 Base-Backbone interact. energy: -0.444 local terms energy: -474.729358 where: bonds (distance) C4'-P energy: -86.288 bonds (distance) P-C4' energy: -106.959 flat angles C4'-P-C4' energy: -116.107 flat angles P-C4'-P energy: -62.210 tors. eta vs tors. theta energy: -103.166 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: 8, replica: 9 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1388.314948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.314948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.314948 (E_RNA) where: Base-Base interactions energy: -950.653 where: short stacking energy: -408.117 Base-Backbone interact. energy: 2.002 local terms energy: -439.663084 where: bonds (distance) C4'-P energy: -79.712 bonds (distance) P-C4' energy: -99.640 flat angles C4'-P-C4' energy: -90.945 flat angles P-C4'-P energy: -71.992 tors. eta vs tors. theta energy: -97.375 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: 9, replica: 10 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -1225.705830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.705830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.705830 (E_RNA) where: Base-Base interactions energy: -786.070 where: short stacking energy: -368.450 Base-Backbone interact. energy: -0.749 local terms energy: -438.886518 where: bonds (distance) C4'-P energy: -80.102 bonds (distance) P-C4' energy: -108.786 flat angles C4'-P-C4' energy: -97.455 flat angles P-C4'-P energy: -69.255 tors. eta vs tors. theta energy: -83.288 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: 10, replica: 7 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -1137.129864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.129864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.129864 (E_RNA) where: Base-Base interactions energy: -723.420 where: short stacking energy: -327.161 Base-Backbone interact. energy: 2.441 local terms energy: -416.151436 where: bonds (distance) C4'-P energy: -95.347 bonds (distance) P-C4' energy: -85.820 flat angles C4'-P-C4' energy: -97.277 flat angles P-C4'-P energy: -66.399 tors. eta vs tors. theta energy: -71.309 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: 1, replica: 8 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1893.157219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.157219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.157219 (E_RNA) where: Base-Base interactions energy: -1323.544 where: short stacking energy: -535.610 Base-Backbone interact. energy: -0.936 local terms energy: -568.676616 where: bonds (distance) C4'-P energy: -102.701 bonds (distance) P-C4' energy: -109.552 flat angles C4'-P-C4' energy: -121.537 flat angles P-C4'-P energy: -84.528 tors. eta vs tors. theta energy: -150.359 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: 4 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1825.870843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.870843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.870843 (E_RNA) where: Base-Base interactions energy: -1276.535 where: short stacking energy: -536.014 Base-Backbone interact. energy: 0.774 local terms energy: -550.109897 where: bonds (distance) C4'-P energy: -96.468 bonds (distance) P-C4' energy: -104.742 flat angles C4'-P-C4' energy: -120.204 flat angles P-C4'-P energy: -74.228 tors. eta vs tors. theta energy: -154.468 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: 3, replica: 3 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1851.192101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.192101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.192101 (E_RNA) where: Base-Base interactions energy: -1291.820 where: short stacking energy: -537.256 Base-Backbone interact. energy: 0.373 local terms energy: -559.745415 where: bonds (distance) C4'-P energy: -102.459 bonds (distance) P-C4' energy: -109.786 flat angles C4'-P-C4' energy: -112.933 flat angles P-C4'-P energy: -80.576 tors. eta vs tors. theta energy: -153.991 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: 1 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1766.616309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.616309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.616309 (E_RNA) where: Base-Base interactions energy: -1272.160 where: short stacking energy: -512.074 Base-Backbone interact. energy: 1.439 local terms energy: -495.895622 where: bonds (distance) C4'-P energy: -88.335 bonds (distance) P-C4' energy: -92.176 flat angles C4'-P-C4' energy: -107.502 flat angles P-C4'-P energy: -65.531 tors. eta vs tors. theta energy: -142.352 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: 2 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1715.157805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.157805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.157805 (E_RNA) where: Base-Base interactions energy: -1196.208 where: short stacking energy: -483.675 Base-Backbone interact. energy: -1.969 local terms energy: -516.980769 where: bonds (distance) C4'-P energy: -89.966 bonds (distance) P-C4' energy: -105.211 flat angles C4'-P-C4' energy: -117.795 flat angles P-C4'-P energy: -72.038 tors. eta vs tors. theta energy: -131.972 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: 6 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1643.411591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.411591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.411591 (E_RNA) where: Base-Base interactions energy: -1148.665 where: short stacking energy: -461.940 Base-Backbone interact. energy: -0.198 local terms energy: -494.548112 where: bonds (distance) C4'-P energy: -83.055 bonds (distance) P-C4' energy: -107.243 flat angles C4'-P-C4' energy: -107.280 flat angles P-C4'-P energy: -75.647 tors. eta vs tors. theta energy: -121.323 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: 5 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1556.268115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.268115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.268115 (E_RNA) where: Base-Base interactions energy: -1081.425 where: short stacking energy: -454.627 Base-Backbone interact. energy: -0.307 local terms energy: -474.535385 where: bonds (distance) C4'-P energy: -91.173 bonds (distance) P-C4' energy: -104.928 flat angles C4'-P-C4' energy: -95.899 flat angles P-C4'-P energy: -69.565 tors. eta vs tors. theta energy: -112.971 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: 8, replica: 9 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1361.127408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.127408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.127408 (E_RNA) where: Base-Base interactions energy: -901.273 where: short stacking energy: -384.882 Base-Backbone interact. energy: -1.054 local terms energy: -458.800572 where: bonds (distance) C4'-P energy: -82.291 bonds (distance) P-C4' energy: -109.233 flat angles C4'-P-C4' energy: -102.051 flat angles P-C4'-P energy: -65.882 tors. eta vs tors. theta energy: -99.344 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: 9, replica: 10 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1245.379450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.379450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.379450 (E_RNA) where: Base-Base interactions energy: -841.145 where: short stacking energy: -371.848 Base-Backbone interact. energy: 4.254 local terms energy: -408.488199 where: bonds (distance) C4'-P energy: -86.045 bonds (distance) P-C4' energy: -98.824 flat angles C4'-P-C4' energy: -87.214 flat angles P-C4'-P energy: -56.229 tors. eta vs tors. theta energy: -80.176 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: 10, replica: 7 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -1120.399162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.399162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.399162 (E_RNA) where: Base-Base interactions energy: -733.072 where: short stacking energy: -327.195 Base-Backbone interact. energy: -1.380 local terms energy: -385.947502 where: bonds (distance) C4'-P energy: -88.726 bonds (distance) P-C4' energy: -90.063 flat angles C4'-P-C4' energy: -75.843 flat angles P-C4'-P energy: -59.832 tors. eta vs tors. theta energy: -71.484 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: 1, replica: 8 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1904.099537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.099537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.099537 (E_RNA) where: Base-Base interactions energy: -1320.219 where: short stacking energy: -571.568 Base-Backbone interact. energy: -1.635 local terms energy: -582.244811 where: bonds (distance) C4'-P energy: -102.934 bonds (distance) P-C4' energy: -115.846 flat angles C4'-P-C4' energy: -122.223 flat angles P-C4'-P energy: -79.360 tors. eta vs tors. theta energy: -161.881 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: 4 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1823.782771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.782771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.782771 (E_RNA) where: Base-Base interactions energy: -1269.572 where: short stacking energy: -524.364 Base-Backbone interact. energy: 0.741 local terms energy: -554.952032 where: bonds (distance) C4'-P energy: -99.322 bonds (distance) P-C4' energy: -117.077 flat angles C4'-P-C4' energy: -113.179 flat angles P-C4'-P energy: -77.756 tors. eta vs tors. theta energy: -147.619 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: 3, replica: 3 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1833.843578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.843578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.843578 (E_RNA) where: Base-Base interactions energy: -1278.707 where: short stacking energy: -523.454 Base-Backbone interact. energy: -0.326 local terms energy: -554.810512 where: bonds (distance) C4'-P energy: -95.732 bonds (distance) P-C4' energy: -109.702 flat angles C4'-P-C4' energy: -115.378 flat angles P-C4'-P energy: -80.324 tors. eta vs tors. theta energy: -153.675 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: 4, replica: 1 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1768.122772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.122772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.122772 (E_RNA) where: Base-Base interactions energy: -1245.324 where: short stacking energy: -515.338 Base-Backbone interact. energy: -1.010 local terms energy: -521.788234 where: bonds (distance) C4'-P energy: -83.908 bonds (distance) P-C4' energy: -116.211 flat angles C4'-P-C4' energy: -105.784 flat angles P-C4'-P energy: -73.101 tors. eta vs tors. theta energy: -142.783 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: 2 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1747.863538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.863538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.863538 (E_RNA) where: Base-Base interactions energy: -1242.228 where: short stacking energy: -530.727 Base-Backbone interact. energy: 1.208 local terms energy: -506.842623 where: bonds (distance) C4'-P energy: -92.220 bonds (distance) P-C4' energy: -101.736 flat angles C4'-P-C4' energy: -104.565 flat angles P-C4'-P energy: -66.538 tors. eta vs tors. theta energy: -141.784 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: 6 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1673.487145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.487145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.487145 (E_RNA) where: Base-Base interactions energy: -1156.652 where: short stacking energy: -459.691 Base-Backbone interact. energy: 1.028 local terms energy: -517.863548 where: bonds (distance) C4'-P energy: -102.847 bonds (distance) P-C4' energy: -105.032 flat angles C4'-P-C4' energy: -110.478 flat angles P-C4'-P energy: -79.424 tors. eta vs tors. theta energy: -120.083 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: 5 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1538.480233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.480233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.480233 (E_RNA) where: Base-Base interactions energy: -1051.406 where: short stacking energy: -439.929 Base-Backbone interact. energy: 4.449 local terms energy: -491.523898 where: bonds (distance) C4'-P energy: -89.628 bonds (distance) P-C4' energy: -93.714 flat angles C4'-P-C4' energy: -111.960 flat angles P-C4'-P energy: -79.521 tors. eta vs tors. theta energy: -116.700 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: 9 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1402.577190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.577190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.577190 (E_RNA) where: Base-Base interactions energy: -939.532 where: short stacking energy: -407.029 Base-Backbone interact. energy: 5.179 local terms energy: -468.223937 where: bonds (distance) C4'-P energy: -90.666 bonds (distance) P-C4' energy: -112.698 flat angles C4'-P-C4' energy: -100.896 flat angles P-C4'-P energy: -61.906 tors. eta vs tors. theta energy: -102.058 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: 9, replica: 10 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -1215.901065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.901065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.901065 (E_RNA) where: Base-Base interactions energy: -812.719 where: short stacking energy: -361.578 Base-Backbone interact. energy: 1.439 local terms energy: -404.620435 where: bonds (distance) C4'-P energy: -75.304 bonds (distance) P-C4' energy: -83.271 flat angles C4'-P-C4' energy: -103.415 flat angles P-C4'-P energy: -62.272 tors. eta vs tors. theta energy: -80.358 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: 7 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -1098.873675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.873675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.873675 (E_RNA) where: Base-Base interactions energy: -711.090 where: short stacking energy: -299.480 Base-Backbone interact. energy: 5.444 local terms energy: -393.228306 where: bonds (distance) C4'-P energy: -86.287 bonds (distance) P-C4' energy: -94.682 flat angles C4'-P-C4' energy: -75.214 flat angles P-C4'-P energy: -68.368 tors. eta vs tors. theta energy: -68.678 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: 8 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1901.178166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.178166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.178166 (E_RNA) where: Base-Base interactions energy: -1318.459 where: short stacking energy: -548.699 Base-Backbone interact. energy: -0.914 local terms energy: -581.805530 where: bonds (distance) C4'-P energy: -106.252 bonds (distance) P-C4' energy: -119.312 flat angles C4'-P-C4' energy: -120.813 flat angles P-C4'-P energy: -78.941 tors. eta vs tors. theta energy: -156.488 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: 2, replica: 3 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1875.092282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.092282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.092282 (E_RNA) where: Base-Base interactions energy: -1313.685 where: short stacking energy: -560.040 Base-Backbone interact. energy: -0.765 local terms energy: -560.642374 where: bonds (distance) C4'-P energy: -101.855 bonds (distance) P-C4' energy: -113.951 flat angles C4'-P-C4' energy: -110.205 flat angles P-C4'-P energy: -77.903 tors. eta vs tors. theta energy: -156.728 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: 3, replica: 4 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1789.757966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.757966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.757966 (E_RNA) where: Base-Base interactions energy: -1259.150 where: short stacking energy: -533.582 Base-Backbone interact. energy: 0.473 local terms energy: -531.080319 where: bonds (distance) C4'-P energy: -94.277 bonds (distance) P-C4' energy: -113.767 flat angles C4'-P-C4' energy: -104.689 flat angles P-C4'-P energy: -78.300 tors. eta vs tors. theta energy: -140.048 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: 4, replica: 2 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1746.838016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.838016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.838016 (E_RNA) where: Base-Base interactions energy: -1206.977 where: short stacking energy: -506.531 Base-Backbone interact. energy: 0.673 local terms energy: -540.534286 where: bonds (distance) C4'-P energy: -89.444 bonds (distance) P-C4' energy: -124.431 flat angles C4'-P-C4' energy: -105.909 flat angles P-C4'-P energy: -79.994 tors. eta vs tors. theta energy: -140.756 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: 5, replica: 1 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1720.731265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.731265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.731265 (E_RNA) where: Base-Base interactions energy: -1203.249 where: short stacking energy: -492.837 Base-Backbone interact. energy: -2.164 local terms energy: -515.318199 where: bonds (distance) C4'-P energy: -91.964 bonds (distance) P-C4' energy: -107.515 flat angles C4'-P-C4' energy: -101.748 flat angles P-C4'-P energy: -76.001 tors. eta vs tors. theta energy: -138.090 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: 6, replica: 6 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1686.540353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.540353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.540353 (E_RNA) where: Base-Base interactions energy: -1174.216 where: short stacking energy: -479.462 Base-Backbone interact. energy: -0.019 local terms energy: -512.305734 where: bonds (distance) C4'-P energy: -92.180 bonds (distance) P-C4' energy: -98.164 flat angles C4'-P-C4' energy: -110.883 flat angles P-C4'-P energy: -81.105 tors. eta vs tors. theta energy: -129.974 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: 7, replica: 5 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1512.218699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.218699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.218699 (E_RNA) where: Base-Base interactions energy: -1039.029 where: short stacking energy: -439.119 Base-Backbone interact. energy: 1.876 local terms energy: -475.066114 where: bonds (distance) C4'-P energy: -88.863 bonds (distance) P-C4' energy: -106.510 flat angles C4'-P-C4' energy: -105.365 flat angles P-C4'-P energy: -62.508 tors. eta vs tors. theta energy: -111.820 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: 9 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1402.582408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.582408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.582408 (E_RNA) where: Base-Base interactions energy: -951.773 where: short stacking energy: -401.201 Base-Backbone interact. energy: 3.020 local terms energy: -453.829491 where: bonds (distance) C4'-P energy: -84.380 bonds (distance) P-C4' energy: -98.041 flat angles C4'-P-C4' energy: -100.704 flat angles P-C4'-P energy: -78.493 tors. eta vs tors. theta energy: -92.211 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: 9, replica: 10 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -1193.938378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.938378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.938378 (E_RNA) where: Base-Base interactions energy: -785.849 where: short stacking energy: -350.079 Base-Backbone interact. energy: -0.790 local terms energy: -407.299331 where: bonds (distance) C4'-P energy: -74.651 bonds (distance) P-C4' energy: -102.781 flat angles C4'-P-C4' energy: -103.908 flat angles P-C4'-P energy: -52.783 tors. eta vs tors. theta energy: -73.176 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: 10, replica: 7 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -1099.043475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.043475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.043475 (E_RNA) where: Base-Base interactions energy: -705.544 where: short stacking energy: -314.887 Base-Backbone interact. energy: 0.544 local terms energy: -394.043422 where: bonds (distance) C4'-P energy: -90.293 bonds (distance) P-C4' energy: -110.271 flat angles C4'-P-C4' energy: -87.406 flat angles P-C4'-P energy: -40.191 tors. eta vs tors. theta energy: -65.882 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: 1, replica: 8 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1900.129477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.129477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.129477 (E_RNA) where: Base-Base interactions energy: -1330.583 where: short stacking energy: -553.945 Base-Backbone interact. energy: 2.399 local terms energy: -571.945861 where: bonds (distance) C4'-P energy: -106.734 bonds (distance) P-C4' energy: -101.058 flat angles C4'-P-C4' energy: -123.786 flat angles P-C4'-P energy: -78.946 tors. eta vs tors. theta energy: -161.421 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: 3 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1857.834467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.834467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.834467 (E_RNA) where: Base-Base interactions energy: -1288.516 where: short stacking energy: -541.960 Base-Backbone interact. energy: 1.709 local terms energy: -571.026996 where: bonds (distance) C4'-P energy: -102.062 bonds (distance) P-C4' energy: -117.361 flat angles C4'-P-C4' energy: -113.252 flat angles P-C4'-P energy: -82.245 tors. eta vs tors. theta energy: -156.107 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: 3, replica: 4 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1808.401802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.401802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.401802 (E_RNA) where: Base-Base interactions energy: -1267.188 where: short stacking energy: -516.856 Base-Backbone interact. energy: -2.088 local terms energy: -539.125377 where: bonds (distance) C4'-P energy: -90.276 bonds (distance) P-C4' energy: -119.910 flat angles C4'-P-C4' energy: -109.969 flat angles P-C4'-P energy: -73.535 tors. eta vs tors. theta energy: -145.436 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: 4, replica: 2 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1790.768287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.768287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.768287 (E_RNA) where: Base-Base interactions energy: -1278.396 where: short stacking energy: -544.552 Base-Backbone interact. energy: 1.754 local terms energy: -514.126290 where: bonds (distance) C4'-P energy: -89.766 bonds (distance) P-C4' energy: -94.617 flat angles C4'-P-C4' energy: -110.900 flat angles P-C4'-P energy: -70.473 tors. eta vs tors. theta energy: -148.370 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: 5, replica: 1 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1734.294888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.294888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.294888 (E_RNA) where: Base-Base interactions energy: -1214.007 where: short stacking energy: -499.760 Base-Backbone interact. energy: 3.737 local terms energy: -524.025387 where: bonds (distance) C4'-P energy: -94.617 bonds (distance) P-C4' energy: -102.478 flat angles C4'-P-C4' energy: -112.105 flat angles P-C4'-P energy: -81.323 tors. eta vs tors. theta energy: -133.503 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: 6, replica: 6 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1645.633430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.633430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.633430 (E_RNA) where: Base-Base interactions energy: -1160.008 where: short stacking energy: -497.463 Base-Backbone interact. energy: 2.448 local terms energy: -488.073554 where: bonds (distance) C4'-P energy: -94.093 bonds (distance) P-C4' energy: -91.003 flat angles C4'-P-C4' energy: -101.249 flat angles P-C4'-P energy: -67.258 tors. eta vs tors. theta energy: -134.470 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: 5 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1519.165136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.165136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.165136 (E_RNA) where: Base-Base interactions energy: -1050.059 where: short stacking energy: -433.785 Base-Backbone interact. energy: 3.235 local terms energy: -472.341650 where: bonds (distance) C4'-P energy: -92.065 bonds (distance) P-C4' energy: -101.022 flat angles C4'-P-C4' energy: -101.424 flat angles P-C4'-P energy: -55.903 tors. eta vs tors. theta energy: -121.928 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: 8, replica: 9 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1404.896399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.896399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.896399 (E_RNA) where: Base-Base interactions energy: -946.326 where: short stacking energy: -402.537 Base-Backbone interact. energy: -0.346 local terms energy: -458.223851 where: bonds (distance) C4'-P energy: -92.463 bonds (distance) P-C4' energy: -106.120 flat angles C4'-P-C4' energy: -96.210 flat angles P-C4'-P energy: -62.552 tors. eta vs tors. theta energy: -100.880 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: 92 Temperature: 1.300000 Total energy: -1204.637322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.637322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.637322 (E_RNA) where: Base-Base interactions energy: -811.567 where: short stacking energy: -350.467 Base-Backbone interact. energy: 0.581 local terms energy: -393.651345 where: bonds (distance) C4'-P energy: -78.259 bonds (distance) P-C4' energy: -104.383 flat angles C4'-P-C4' energy: -97.006 flat angles P-C4'-P energy: -47.856 tors. eta vs tors. theta energy: -66.146 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: 10, replica: 7 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -1105.611615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.611615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.611615 (E_RNA) where: Base-Base interactions energy: -729.961 where: short stacking energy: -309.897 Base-Backbone interact. energy: 1.158 local terms energy: -376.808926 where: bonds (distance) C4'-P energy: -78.542 bonds (distance) P-C4' energy: -103.537 flat angles C4'-P-C4' energy: -90.762 flat angles P-C4'-P energy: -47.964 tors. eta vs tors. theta energy: -56.004 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: 8 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1900.286662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.286662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.286662 (E_RNA) where: Base-Base interactions energy: -1323.105 where: short stacking energy: -554.157 Base-Backbone interact. energy: 0.974 local terms energy: -578.155430 where: bonds (distance) C4'-P energy: -106.258 bonds (distance) P-C4' energy: -106.747 flat angles C4'-P-C4' energy: -117.151 flat angles P-C4'-P energy: -86.769 tors. eta vs tors. theta energy: -161.230 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: 3 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1836.377179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.377179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.377179 (E_RNA) where: Base-Base interactions energy: -1279.086 where: short stacking energy: -530.075 Base-Backbone interact. energy: -0.952 local terms energy: -556.338918 where: bonds (distance) C4'-P energy: -97.206 bonds (distance) P-C4' energy: -110.673 flat angles C4'-P-C4' energy: -111.791 flat angles P-C4'-P energy: -88.601 tors. eta vs tors. theta energy: -148.068 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: 3, replica: 4 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1803.700421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.700421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.700421 (E_RNA) where: Base-Base interactions energy: -1263.917 where: short stacking energy: -526.955 Base-Backbone interact. energy: 1.893 local terms energy: -541.676485 where: bonds (distance) C4'-P energy: -96.661 bonds (distance) P-C4' energy: -101.976 flat angles C4'-P-C4' energy: -120.338 flat angles P-C4'-P energy: -78.527 tors. eta vs tors. theta energy: -144.175 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: 4, replica: 1 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1770.604570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.604570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.604570 (E_RNA) where: Base-Base interactions energy: -1234.707 where: short stacking energy: -509.233 Base-Backbone interact. energy: -0.212 local terms energy: -535.685030 where: bonds (distance) C4'-P energy: -92.197 bonds (distance) P-C4' energy: -108.780 flat angles C4'-P-C4' energy: -112.499 flat angles P-C4'-P energy: -82.292 tors. eta vs tors. theta energy: -139.917 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: 5, replica: 2 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1738.883133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.883133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.883133 (E_RNA) where: Base-Base interactions energy: -1208.083 where: short stacking energy: -490.123 Base-Backbone interact. energy: 3.227 local terms energy: -534.027309 where: bonds (distance) C4'-P energy: -95.901 bonds (distance) P-C4' energy: -105.403 flat angles C4'-P-C4' energy: -120.828 flat angles P-C4'-P energy: -78.509 tors. eta vs tors. theta energy: -133.385 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: 6, replica: 6 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1622.773893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.773893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.773893 (E_RNA) where: Base-Base interactions energy: -1148.708 where: short stacking energy: -473.842 Base-Backbone interact. energy: 4.756 local terms energy: -478.821916 where: bonds (distance) C4'-P energy: -88.413 bonds (distance) P-C4' energy: -89.358 flat angles C4'-P-C4' energy: -107.900 flat angles P-C4'-P energy: -66.093 tors. eta vs tors. theta energy: -127.057 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: 5 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1561.438171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.438171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.438171 (E_RNA) where: Base-Base interactions energy: -1069.699 where: short stacking energy: -445.573 Base-Backbone interact. energy: -0.984 local terms energy: -490.755625 where: bonds (distance) C4'-P energy: -98.780 bonds (distance) P-C4' energy: -111.893 flat angles C4'-P-C4' energy: -100.991 flat angles P-C4'-P energy: -62.526 tors. eta vs tors. theta energy: -116.565 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: 8, replica: 9 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1401.908809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.908809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.908809 (E_RNA) where: Base-Base interactions energy: -958.441 where: short stacking energy: -390.010 Base-Backbone interact. energy: 8.766 local terms energy: -452.234166 where: bonds (distance) C4'-P energy: -95.761 bonds (distance) P-C4' energy: -100.323 flat angles C4'-P-C4' energy: -99.004 flat angles P-C4'-P energy: -64.291 tors. eta vs tors. theta energy: -92.855 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: 93 Temperature: 1.300000 Total energy: -1224.025929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.025929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.025929 (E_RNA) where: Base-Base interactions energy: -814.729 where: short stacking energy: -354.181 Base-Backbone interact. energy: 14.001 local terms energy: -423.298061 where: bonds (distance) C4'-P energy: -78.626 bonds (distance) P-C4' energy: -100.032 flat angles C4'-P-C4' energy: -96.937 flat angles P-C4'-P energy: -66.293 tors. eta vs tors. theta energy: -81.411 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: 7 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -1103.352351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.352351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.352351 (E_RNA) where: Base-Base interactions energy: -733.738 where: short stacking energy: -316.103 Base-Backbone interact. energy: 1.984 local terms energy: -371.597770 where: bonds (distance) C4'-P energy: -88.127 bonds (distance) P-C4' energy: -89.114 flat angles C4'-P-C4' energy: -77.696 flat angles P-C4'-P energy: -56.244 tors. eta vs tors. theta energy: -60.416 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: 1, replica: 8 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1886.465541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.465541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.465541 (E_RNA) where: Base-Base interactions energy: -1324.936 where: short stacking energy: -563.488 Base-Backbone interact. energy: 1.872 local terms energy: -563.401675 where: bonds (distance) C4'-P energy: -89.657 bonds (distance) P-C4' energy: -112.253 flat angles C4'-P-C4' energy: -119.968 flat angles P-C4'-P energy: -84.795 tors. eta vs tors. theta energy: -156.728 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: 2, replica: 3 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1828.695431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.695431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.695431 (E_RNA) where: Base-Base interactions energy: -1272.343 where: short stacking energy: -523.578 Base-Backbone interact. energy: -1.727 local terms energy: -554.625476 where: bonds (distance) C4'-P energy: -99.781 bonds (distance) P-C4' energy: -116.607 flat angles C4'-P-C4' energy: -116.371 flat angles P-C4'-P energy: -79.602 tors. eta vs tors. theta energy: -142.265 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: 4 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1814.880291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.880291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.880291 (E_RNA) where: Base-Base interactions energy: -1262.251 where: short stacking energy: -538.368 Base-Backbone interact. energy: 1.783 local terms energy: -554.411895 where: bonds (distance) C4'-P energy: -98.368 bonds (distance) P-C4' energy: -112.827 flat angles C4'-P-C4' energy: -116.929 flat angles P-C4'-P energy: -76.818 tors. eta vs tors. theta energy: -149.470 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: 1 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1734.929307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.929307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.929307 (E_RNA) where: Base-Base interactions energy: -1229.610 where: short stacking energy: -497.155 Base-Backbone interact. energy: 4.216 local terms energy: -509.535160 where: bonds (distance) C4'-P energy: -95.672 bonds (distance) P-C4' energy: -105.681 flat angles C4'-P-C4' energy: -106.350 flat angles P-C4'-P energy: -71.757 tors. eta vs tors. theta energy: -130.076 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: 2 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1727.296195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.296195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.296195 (E_RNA) where: Base-Base interactions energy: -1209.058 where: short stacking energy: -499.443 Base-Backbone interact. energy: -1.890 local terms energy: -516.348923 where: bonds (distance) C4'-P energy: -88.118 bonds (distance) P-C4' energy: -105.766 flat angles C4'-P-C4' energy: -103.271 flat angles P-C4'-P energy: -74.393 tors. eta vs tors. theta energy: -144.800 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: 6 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1600.947103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.947103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.947103 (E_RNA) where: Base-Base interactions energy: -1116.227 where: short stacking energy: -485.340 Base-Backbone interact. energy: 7.888 local terms energy: -492.607587 where: bonds (distance) C4'-P energy: -91.616 bonds (distance) P-C4' energy: -108.214 flat angles C4'-P-C4' energy: -110.022 flat angles P-C4'-P energy: -54.160 tors. eta vs tors. theta energy: -128.596 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: 7, replica: 5 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1517.852067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.852067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.852067 (E_RNA) where: Base-Base interactions energy: -1036.271 where: short stacking energy: -428.367 Base-Backbone interact. energy: 1.839 local terms energy: -483.420004 where: bonds (distance) C4'-P energy: -93.384 bonds (distance) P-C4' energy: -107.087 flat angles C4'-P-C4' energy: -95.979 flat angles P-C4'-P energy: -73.842 tors. eta vs tors. theta energy: -113.128 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: 8, replica: 9 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1421.576368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.576368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.576368 (E_RNA) where: Base-Base interactions energy: -956.046 where: short stacking energy: -416.031 Base-Backbone interact. energy: -0.114 local terms energy: -465.416380 where: bonds (distance) C4'-P energy: -95.579 bonds (distance) P-C4' energy: -100.246 flat angles C4'-P-C4' energy: -95.250 flat angles P-C4'-P energy: -74.710 tors. eta vs tors. theta energy: -99.632 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: 10 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1225.914429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.914429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.914429 (E_RNA) where: Base-Base interactions energy: -818.741 where: short stacking energy: -336.617 Base-Backbone interact. energy: -0.205 local terms energy: -406.968272 where: bonds (distance) C4'-P energy: -87.748 bonds (distance) P-C4' energy: -94.882 flat angles C4'-P-C4' energy: -88.613 flat angles P-C4'-P energy: -66.807 tors. eta vs tors. theta energy: -68.918 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: 7 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -1104.368296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.368296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.368296 (E_RNA) where: Base-Base interactions energy: -701.358 where: short stacking energy: -321.156 Base-Backbone interact. energy: 1.047 local terms energy: -404.057574 where: bonds (distance) C4'-P energy: -91.247 bonds (distance) P-C4' energy: -105.504 flat angles C4'-P-C4' energy: -88.855 flat angles P-C4'-P energy: -59.687 tors. eta vs tors. theta energy: -58.765 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: 8 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1898.828148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.828148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.828148 (E_RNA) where: Base-Base interactions energy: -1320.344 where: short stacking energy: -550.338 Base-Backbone interact. energy: 0.082 local terms energy: -578.566099 where: bonds (distance) C4'-P energy: -105.290 bonds (distance) P-C4' energy: -117.687 flat angles C4'-P-C4' energy: -120.001 flat angles P-C4'-P energy: -78.359 tors. eta vs tors. theta energy: -157.229 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: 2, replica: 3 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1826.121970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.121970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.121970 (E_RNA) where: Base-Base interactions energy: -1294.465 where: short stacking energy: -538.703 Base-Backbone interact. energy: -1.816 local terms energy: -529.841691 where: bonds (distance) C4'-P energy: -84.464 bonds (distance) P-C4' energy: -112.803 flat angles C4'-P-C4' energy: -111.586 flat angles P-C4'-P energy: -80.050 tors. eta vs tors. theta energy: -140.939 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: 3, replica: 4 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1788.679296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.679296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.679296 (E_RNA) where: Base-Base interactions energy: -1258.893 where: short stacking energy: -518.225 Base-Backbone interact. energy: 0.236 local terms energy: -530.021922 where: bonds (distance) C4'-P energy: -93.625 bonds (distance) P-C4' energy: -114.360 flat angles C4'-P-C4' energy: -109.284 flat angles P-C4'-P energy: -69.001 tors. eta vs tors. theta energy: -143.752 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: 4, replica: 2 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1745.533287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.533287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.533287 (E_RNA) where: Base-Base interactions energy: -1215.404 where: short stacking energy: -522.794 Base-Backbone interact. energy: 3.335 local terms energy: -533.463615 where: bonds (distance) C4'-P energy: -95.240 bonds (distance) P-C4' energy: -103.689 flat angles C4'-P-C4' energy: -112.346 flat angles P-C4'-P energy: -71.934 tors. eta vs tors. theta energy: -150.255 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: 5, replica: 1 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1711.985734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.985734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.985734 (E_RNA) where: Base-Base interactions energy: -1204.253 where: short stacking energy: -476.943 Base-Backbone interact. energy: 6.333 local terms energy: -514.065841 where: bonds (distance) C4'-P energy: -93.105 bonds (distance) P-C4' energy: -105.555 flat angles C4'-P-C4' energy: -114.883 flat angles P-C4'-P energy: -65.616 tors. eta vs tors. theta energy: -134.906 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: 6, replica: 6 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1623.755618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.755618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.755618 (E_RNA) where: Base-Base interactions energy: -1117.652 where: short stacking energy: -468.837 Base-Backbone interact. energy: -0.977 local terms energy: -505.126382 where: bonds (distance) C4'-P energy: -90.419 bonds (distance) P-C4' energy: -102.516 flat angles C4'-P-C4' energy: -98.336 flat angles P-C4'-P energy: -77.308 tors. eta vs tors. theta energy: -136.548 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: 5 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1531.548337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.548337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.548337 (E_RNA) where: Base-Base interactions energy: -1055.176 where: short stacking energy: -443.913 Base-Backbone interact. energy: 2.999 local terms energy: -479.371851 where: bonds (distance) C4'-P energy: -89.413 bonds (distance) P-C4' energy: -109.099 flat angles C4'-P-C4' energy: -98.135 flat angles P-C4'-P energy: -63.610 tors. eta vs tors. theta energy: -119.115 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: 8, replica: 9 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1391.220621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.220621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.220621 (E_RNA) where: Base-Base interactions energy: -947.536 where: short stacking energy: -393.801 Base-Backbone interact. energy: -1.554 local terms energy: -442.130543 where: bonds (distance) C4'-P energy: -88.966 bonds (distance) P-C4' energy: -99.979 flat angles C4'-P-C4' energy: -103.506 flat angles P-C4'-P energy: -54.061 tors. eta vs tors. theta energy: -95.619 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: 9, replica: 10 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -1164.445329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.445329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.445329 (E_RNA) where: Base-Base interactions energy: -777.562 where: short stacking energy: -344.212 Base-Backbone interact. energy: 2.395 local terms energy: -389.277721 where: bonds (distance) C4'-P energy: -78.800 bonds (distance) P-C4' energy: -79.573 flat angles C4'-P-C4' energy: -95.994 flat angles P-C4'-P energy: -57.197 tors. eta vs tors. theta energy: -77.714 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: 10, replica: 7 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -1120.008073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.008073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.008073 (E_RNA) where: Base-Base interactions energy: -720.765 where: short stacking energy: -330.417 Base-Backbone interact. energy: 1.923 local terms energy: -401.165591 where: bonds (distance) C4'-P energy: -87.279 bonds (distance) P-C4' energy: -91.800 flat angles C4'-P-C4' energy: -89.830 flat angles P-C4'-P energy: -60.415 tors. eta vs tors. theta energy: -71.842 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: 8 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1896.255458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.255458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.255458 (E_RNA) where: Base-Base interactions energy: -1325.716 where: short stacking energy: -552.332 Base-Backbone interact. energy: -1.670 local terms energy: -568.869487 where: bonds (distance) C4'-P energy: -99.733 bonds (distance) P-C4' energy: -106.379 flat angles C4'-P-C4' energy: -121.480 flat angles P-C4'-P energy: -82.152 tors. eta vs tors. theta energy: -159.126 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: 2, replica: 3 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1834.946364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.946364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.946364 (E_RNA) where: Base-Base interactions energy: -1279.353 where: short stacking energy: -534.272 Base-Backbone interact. energy: 0.870 local terms energy: -556.463328 where: bonds (distance) C4'-P energy: -98.467 bonds (distance) P-C4' energy: -113.626 flat angles C4'-P-C4' energy: -111.202 flat angles P-C4'-P energy: -77.498 tors. eta vs tors. theta energy: -155.670 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: 3, replica: 4 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1796.169627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.169627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.169627 (E_RNA) where: Base-Base interactions energy: -1272.804 where: short stacking energy: -517.441 Base-Backbone interact. energy: 3.054 local terms energy: -526.419615 where: bonds (distance) C4'-P energy: -82.443 bonds (distance) P-C4' energy: -114.463 flat angles C4'-P-C4' energy: -120.804 flat angles P-C4'-P energy: -67.635 tors. eta vs tors. theta energy: -141.074 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: 2 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1797.650222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.650222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.650222 (E_RNA) where: Base-Base interactions energy: -1248.709 where: short stacking energy: -520.089 Base-Backbone interact. energy: -2.068 local terms energy: -546.872444 where: bonds (distance) C4'-P energy: -90.120 bonds (distance) P-C4' energy: -105.037 flat angles C4'-P-C4' energy: -113.547 flat angles P-C4'-P energy: -83.376 tors. eta vs tors. theta energy: -154.792 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: 5, replica: 1 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1706.929087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.929087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.929087 (E_RNA) where: Base-Base interactions energy: -1187.385 where: short stacking energy: -478.622 Base-Backbone interact. energy: -0.404 local terms energy: -519.139800 where: bonds (distance) C4'-P energy: -84.482 bonds (distance) P-C4' energy: -107.902 flat angles C4'-P-C4' energy: -118.332 flat angles P-C4'-P energy: -79.436 tors. eta vs tors. theta energy: -128.988 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: 6 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1581.961547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.961547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.961547 (E_RNA) where: Base-Base interactions energy: -1109.765 where: short stacking energy: -457.769 Base-Backbone interact. energy: 0.094 local terms energy: -472.291210 where: bonds (distance) C4'-P energy: -71.154 bonds (distance) P-C4' energy: -108.123 flat angles C4'-P-C4' energy: -104.257 flat angles P-C4'-P energy: -71.763 tors. eta vs tors. theta energy: -116.993 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: 7, replica: 5 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1519.164900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.164900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.164900 (E_RNA) where: Base-Base interactions energy: -1032.695 where: short stacking energy: -417.381 Base-Backbone interact. energy: 1.979 local terms energy: -488.449282 where: bonds (distance) C4'-P energy: -91.683 bonds (distance) P-C4' energy: -103.703 flat angles C4'-P-C4' energy: -110.769 flat angles P-C4'-P energy: -74.317 tors. eta vs tors. theta energy: -107.978 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: 9 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1411.887474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.887474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.887474 (E_RNA) where: Base-Base interactions energy: -962.786 where: short stacking energy: -403.215 Base-Backbone interact. energy: -1.650 local terms energy: -447.452148 where: bonds (distance) C4'-P energy: -94.208 bonds (distance) P-C4' energy: -99.017 flat angles C4'-P-C4' energy: -100.152 flat angles P-C4'-P energy: -49.115 tors. eta vs tors. theta energy: -104.961 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: 9, replica: 10 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -1177.048929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.048929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.048929 (E_RNA) where: Base-Base interactions energy: -738.104 where: short stacking energy: -327.981 Base-Backbone interact. energy: -1.124 local terms energy: -437.820784 where: bonds (distance) C4'-P energy: -81.607 bonds (distance) P-C4' energy: -104.109 flat angles C4'-P-C4' energy: -92.291 flat angles P-C4'-P energy: -74.806 tors. eta vs tors. theta energy: -85.007 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: 10, replica: 7 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -1091.392720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.392720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.392720 (E_RNA) where: Base-Base interactions energy: -699.338 where: short stacking energy: -324.776 Base-Backbone interact. energy: 4.900 local terms energy: -396.954684 where: bonds (distance) C4'-P energy: -96.258 bonds (distance) P-C4' energy: -86.576 flat angles C4'-P-C4' energy: -89.618 flat angles P-C4'-P energy: -56.954 tors. eta vs tors. theta energy: -67.549 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: 1, replica: 8 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1888.399945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.399945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.399945 (E_RNA) where: Base-Base interactions energy: -1311.832 where: short stacking energy: -542.801 Base-Backbone interact. energy: -0.890 local terms energy: -575.678181 where: bonds (distance) C4'-P energy: -100.669 bonds (distance) P-C4' energy: -114.682 flat angles C4'-P-C4' energy: -120.050 flat angles P-C4'-P energy: -83.438 tors. eta vs tors. theta energy: -156.839 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: 2, replica: 4 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1846.475992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.475992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.475992 (E_RNA) where: Base-Base interactions energy: -1294.541 where: short stacking energy: -521.522 Base-Backbone interact. energy: 0.919 local terms energy: -552.853904 where: bonds (distance) C4'-P energy: -94.407 bonds (distance) P-C4' energy: -107.699 flat angles C4'-P-C4' energy: -116.803 flat angles P-C4'-P energy: -81.702 tors. eta vs tors. theta energy: -152.243 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: 3 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1816.447043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.447043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.447043 (E_RNA) where: Base-Base interactions energy: -1283.022 where: short stacking energy: -524.109 Base-Backbone interact. energy: -0.095 local terms energy: -533.330380 where: bonds (distance) C4'-P energy: -93.832 bonds (distance) P-C4' energy: -106.375 flat angles C4'-P-C4' energy: -108.649 flat angles P-C4'-P energy: -79.775 tors. eta vs tors. theta energy: -144.700 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: 4, replica: 1 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1742.297686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.297686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.297686 (E_RNA) where: Base-Base interactions energy: -1202.002 where: short stacking energy: -503.425 Base-Backbone interact. energy: -0.384 local terms energy: -539.911637 where: bonds (distance) C4'-P energy: -100.849 bonds (distance) P-C4' energy: -112.875 flat angles C4'-P-C4' energy: -109.208 flat angles P-C4'-P energy: -74.575 tors. eta vs tors. theta energy: -142.405 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: 2 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1771.866587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.866587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.866587 (E_RNA) where: Base-Base interactions energy: -1225.142 where: short stacking energy: -512.055 Base-Backbone interact. energy: -1.388 local terms energy: -545.336708 where: bonds (distance) C4'-P energy: -97.719 bonds (distance) P-C4' energy: -103.814 flat angles C4'-P-C4' energy: -118.875 flat angles P-C4'-P energy: -75.191 tors. eta vs tors. theta energy: -149.737 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: 6 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1590.539409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.539409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.539409 (E_RNA) where: Base-Base interactions energy: -1090.718 where: short stacking energy: -480.152 Base-Backbone interact. energy: 1.182 local terms energy: -501.004324 where: bonds (distance) C4'-P energy: -81.405 bonds (distance) P-C4' energy: -99.545 flat angles C4'-P-C4' energy: -109.682 flat angles P-C4'-P energy: -71.139 tors. eta vs tors. theta energy: -139.233 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: 7, replica: 5 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1476.519933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.519933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.519933 (E_RNA) where: Base-Base interactions energy: -1009.323 where: short stacking energy: -424.240 Base-Backbone interact. energy: -1.123 local terms energy: -466.074440 where: bonds (distance) C4'-P energy: -91.289 bonds (distance) P-C4' energy: -104.971 flat angles C4'-P-C4' energy: -102.051 flat angles P-C4'-P energy: -61.526 tors. eta vs tors. theta energy: -106.237 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: 8, replica: 9 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1418.342211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.342211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.342211 (E_RNA) where: Base-Base interactions energy: -961.527 where: short stacking energy: -402.991 Base-Backbone interact. energy: 2.062 local terms energy: -458.877317 where: bonds (distance) C4'-P energy: -82.985 bonds (distance) P-C4' energy: -98.232 flat angles C4'-P-C4' energy: -110.447 flat angles P-C4'-P energy: -65.814 tors. eta vs tors. theta energy: -101.398 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: 9, replica: 10 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1127.225365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.225365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.225365 (E_RNA) where: Base-Base interactions energy: -722.447 where: short stacking energy: -303.701 Base-Backbone interact. energy: 1.333 local terms energy: -406.111082 where: bonds (distance) C4'-P energy: -94.704 bonds (distance) P-C4' energy: -96.279 flat angles C4'-P-C4' energy: -84.432 flat angles P-C4'-P energy: -65.269 tors. eta vs tors. theta energy: -65.427 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: 7 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -1100.445873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.445873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.445873 (E_RNA) where: Base-Base interactions energy: -715.589 where: short stacking energy: -298.230 Base-Backbone interact. energy: -0.228 local terms energy: -384.628935 where: bonds (distance) C4'-P energy: -86.500 bonds (distance) P-C4' energy: -98.041 flat angles C4'-P-C4' energy: -97.040 flat angles P-C4'-P energy: -52.998 tors. eta vs tors. theta energy: -50.050 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: 1, replica: 8 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1910.487768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.487768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.487768 (E_RNA) where: Base-Base interactions energy: -1321.935 where: short stacking energy: -572.858 Base-Backbone interact. energy: -1.791 local terms energy: -586.761826 where: bonds (distance) C4'-P energy: -99.630 bonds (distance) P-C4' energy: -116.000 flat angles C4'-P-C4' energy: -125.218 flat angles P-C4'-P energy: -86.227 tors. eta vs tors. theta energy: -159.688 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: 2, replica: 4 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1851.091676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.091676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.091676 (E_RNA) where: Base-Base interactions energy: -1302.143 where: short stacking energy: -542.287 Base-Backbone interact. energy: -0.772 local terms energy: -548.176403 where: bonds (distance) C4'-P energy: -89.467 bonds (distance) P-C4' energy: -105.090 flat angles C4'-P-C4' energy: -113.237 flat angles P-C4'-P energy: -87.030 tors. eta vs tors. theta energy: -153.352 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: 3, replica: 3 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1809.671033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.671033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.671033 (E_RNA) where: Base-Base interactions energy: -1269.714 where: short stacking energy: -517.583 Base-Backbone interact. energy: 2.510 local terms energy: -542.466710 where: bonds (distance) C4'-P energy: -95.263 bonds (distance) P-C4' energy: -113.591 flat angles C4'-P-C4' energy: -110.810 flat angles P-C4'-P energy: -79.489 tors. eta vs tors. theta energy: -143.313 Dist. restrs. and SS energy: 0.000 (S_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: 98 Temperature: 1.050000 Total energy: -1766.719029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.719029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.719029 (E_RNA) where: Base-Base interactions energy: -1232.568 where: short stacking energy: -518.956 Base-Backbone interact. energy: 5.284 local terms energy: -539.434269 where: bonds (distance) C4'-P energy: -89.645 bonds (distance) P-C4' energy: -109.074 flat angles C4'-P-C4' energy: -115.694 flat angles P-C4'-P energy: -71.007 tors. eta vs tors. theta energy: -154.015 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: 5, replica: 2 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1773.197611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.197611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.197611 (E_RNA) where: Base-Base interactions energy: -1247.817 where: short stacking energy: -515.401 Base-Backbone interact. energy: -1.518 local terms energy: -523.863007 where: bonds (distance) C4'-P energy: -92.901 bonds (distance) P-C4' energy: -99.789 flat angles C4'-P-C4' energy: -105.649 flat angles P-C4'-P energy: -82.680 tors. eta vs tors. theta energy: -142.844 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: 6, replica: 6 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1581.214081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.214081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.214081 (E_RNA) where: Base-Base interactions energy: -1095.315 where: short stacking energy: -453.566 Base-Backbone interact. energy: 0.205 local terms energy: -486.104926 where: bonds (distance) C4'-P energy: -80.110 bonds (distance) P-C4' energy: -116.127 flat angles C4'-P-C4' energy: -108.234 flat angles P-C4'-P energy: -57.379 tors. eta vs tors. theta energy: -124.256 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: 9 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1428.654321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.654321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.654321 (E_RNA) where: Base-Base interactions energy: -997.029 where: short stacking energy: -426.425 Base-Backbone interact. energy: 1.106 local terms energy: -432.731319 where: bonds (distance) C4'-P energy: -86.454 bonds (distance) P-C4' energy: -93.343 flat angles C4'-P-C4' energy: -98.063 flat angles P-C4'-P energy: -57.686 tors. eta vs tors. theta energy: -97.184 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: 8, replica: 5 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1477.565300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.565300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.565300 (E_RNA) where: Base-Base interactions energy: -1032.570 where: short stacking energy: -409.568 Base-Backbone interact. energy: 0.167 local terms energy: -445.161557 where: bonds (distance) C4'-P energy: -86.200 bonds (distance) P-C4' energy: -92.465 flat angles C4'-P-C4' energy: -101.374 flat angles P-C4'-P energy: -58.092 tors. eta vs tors. theta energy: -107.031 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: 7 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -1143.392973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.392973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.392973 (E_RNA) where: Base-Base interactions energy: -726.689 where: short stacking energy: -323.395 Base-Backbone interact. energy: 0.736 local terms energy: -417.439480 where: bonds (distance) C4'-P energy: -93.041 bonds (distance) P-C4' energy: -99.065 flat angles C4'-P-C4' energy: -97.935 flat angles P-C4'-P energy: -70.157 tors. eta vs tors. theta energy: -57.241 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: 10, replica: 10 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -1088.600247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.600247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.600247 (E_RNA) where: Base-Base interactions energy: -697.196 where: short stacking energy: -316.742 Base-Backbone interact. energy: 6.969 local terms energy: -398.373157 where: bonds (distance) C4'-P energy: -87.682 bonds (distance) P-C4' energy: -104.390 flat angles C4'-P-C4' energy: -90.253 flat angles P-C4'-P energy: -61.145 tors. eta vs tors. theta energy: -54.903 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: 1, replica: 8 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1894.091081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.091081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.091081 (E_RNA) where: Base-Base interactions energy: -1339.792 where: short stacking energy: -559.278 Base-Backbone interact. energy: 1.749 local terms energy: -556.048222 where: bonds (distance) C4'-P energy: -91.113 bonds (distance) P-C4' energy: -100.493 flat angles C4'-P-C4' energy: -123.721 flat angles P-C4'-P energy: -85.709 tors. eta vs tors. theta energy: -155.012 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: 2, replica: 4 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1848.723092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.723092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.723092 (E_RNA) where: Base-Base interactions energy: -1297.240 where: short stacking energy: -538.338 Base-Backbone interact. energy: -0.077 local terms energy: -551.405762 where: bonds (distance) C4'-P energy: -92.390 bonds (distance) P-C4' energy: -115.038 flat angles C4'-P-C4' energy: -115.791 flat angles P-C4'-P energy: -77.615 tors. eta vs tors. theta energy: -150.570 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: 3, replica: 3 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1828.827240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.827240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.827240 (E_RNA) where: Base-Base interactions energy: -1275.241 where: short stacking energy: -518.115 Base-Backbone interact. energy: 2.746 local terms energy: -556.331964 where: bonds (distance) C4'-P energy: -95.484 bonds (distance) P-C4' energy: -107.304 flat angles C4'-P-C4' energy: -120.104 flat angles P-C4'-P energy: -85.182 tors. eta vs tors. theta energy: -148.258 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: 2 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1748.146262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.146262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.146262 (E_RNA) where: Base-Base interactions energy: -1204.501 where: short stacking energy: -511.519 Base-Backbone interact. energy: -0.259 local terms energy: -543.385485 where: bonds (distance) C4'-P energy: -94.554 bonds (distance) P-C4' energy: -109.699 flat angles C4'-P-C4' energy: -119.895 flat angles P-C4'-P energy: -77.800 tors. eta vs tors. theta energy: -141.437 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: 1 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1730.190226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.190226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.190226 (E_RNA) where: Base-Base interactions energy: -1198.528 where: short stacking energy: -489.537 Base-Backbone interact. energy: -1.931 local terms energy: -529.731727 where: bonds (distance) C4'-P energy: -95.779 bonds (distance) P-C4' energy: -106.888 flat angles C4'-P-C4' energy: -116.660 flat angles P-C4'-P energy: -69.862 tors. eta vs tors. theta energy: -140.543 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: 6 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1570.637131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.637131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.637131 (E_RNA) where: Base-Base interactions energy: -1078.287 where: short stacking energy: -451.453 Base-Backbone interact. energy: -1.653 local terms energy: -490.696681 where: bonds (distance) C4'-P energy: -101.085 bonds (distance) P-C4' energy: -107.707 flat angles C4'-P-C4' energy: -99.118 flat angles P-C4'-P energy: -70.699 tors. eta vs tors. theta energy: -112.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1430.755097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.755097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.755097 (E_RNA) where: Base-Base interactions energy: -960.435 where: short stacking energy: -410.873 Base-Backbone interact. energy: 0.067 local terms energy: -470.387315 where: bonds (distance) C4'-P energy: -90.712 bonds (distance) P-C4' energy: -113.382 flat angles C4'-P-C4' energy: -97.154 flat angles P-C4'-P energy: -66.074 tors. eta vs tors. theta energy: -103.064 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: 5 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1451.416430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.416430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.416430 (E_RNA) where: Base-Base interactions energy: -1005.065 where: short stacking energy: -416.427 Base-Backbone interact. energy: -1.615 local terms energy: -444.736045 where: bonds (distance) C4'-P energy: -87.612 bonds (distance) P-C4' energy: -93.072 flat angles C4'-P-C4' energy: -93.339 flat angles P-C4'-P energy: -65.230 tors. eta vs tors. theta energy: -105.484 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: 7 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1115.568016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.568016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.568016 (E_RNA) where: Base-Base interactions energy: -727.229 where: short stacking energy: -335.505 Base-Backbone interact. energy: -0.404 local terms energy: -387.935046 where: bonds (distance) C4'-P energy: -93.752 bonds (distance) P-C4' energy: -100.030 flat angles C4'-P-C4' energy: -82.395 flat angles P-C4'-P energy: -54.260 tors. eta vs tors. theta energy: -57.497 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: 10 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -1101.112346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.112346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.112346 (E_RNA) where: Base-Base interactions energy: -694.160 where: short stacking energy: -307.663 Base-Backbone interact. energy: 0.214 local terms energy: -407.166109 where: bonds (distance) C4'-P energy: -98.833 bonds (distance) P-C4' energy: -106.227 flat angles C4'-P-C4' energy: -92.498 flat angles P-C4'-P energy: -58.858 tors. eta vs tors. theta energy: -50.751 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: 1, replica: 8 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1894.975497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.975497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.975497 (E_RNA) where: Base-Base interactions energy: -1330.565 where: short stacking energy: -552.467 Base-Backbone interact. energy: -1.014 local terms energy: -563.396724 where: bonds (distance) C4'-P energy: -112.975 bonds (distance) P-C4' energy: -109.926 flat angles C4'-P-C4' energy: -108.491 flat angles P-C4'-P energy: -78.084 tors. eta vs tors. theta energy: -153.921 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: 4 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1833.629250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.629250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.629250 (E_RNA) where: Base-Base interactions energy: -1268.847 where: short stacking energy: -524.828 Base-Backbone interact. energy: 0.957 local terms energy: -565.739316 where: bonds (distance) C4'-P energy: -100.940 bonds (distance) P-C4' energy: -114.671 flat angles C4'-P-C4' energy: -120.997 flat angles P-C4'-P energy: -77.145 tors. eta vs tors. theta energy: -151.987 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: 3 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1799.532549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.532549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.532549 (E_RNA) where: Base-Base interactions energy: -1259.873 where: short stacking energy: -505.195 Base-Backbone interact. energy: 3.742 local terms energy: -543.401906 where: bonds (distance) C4'-P energy: -93.729 bonds (distance) P-C4' energy: -107.880 flat angles C4'-P-C4' energy: -113.456 flat angles P-C4'-P energy: -84.067 tors. eta vs tors. theta energy: -144.270 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: 4, replica: 2 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1771.133432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.133432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.133432 (E_RNA) where: Base-Base interactions energy: -1240.787 where: short stacking energy: -532.792 Base-Backbone interact. energy: 0.177 local terms energy: -530.523556 where: bonds (distance) C4'-P energy: -90.694 bonds (distance) P-C4' energy: -107.380 flat angles C4'-P-C4' energy: -110.680 flat angles P-C4'-P energy: -70.913 tors. eta vs tors. theta energy: -150.857 Dist. restrs. and SS energy: 0.000 (S_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: 100 Temperature: 1.100000 Total energy: -1712.530265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.530265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.530265 (E_RNA) where: Base-Base interactions energy: -1195.372 where: short stacking energy: -488.811 Base-Backbone interact. energy: -1.002 local terms energy: -516.156326 where: bonds (distance) C4'-P energy: -97.199 bonds (distance) P-C4' energy: -100.923 flat angles C4'-P-C4' energy: -112.380 flat angles P-C4'-P energy: -76.446 tors. eta vs tors. theta energy: -129.209 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: 6 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1618.090283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.090283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.090283 (E_RNA) where: Base-Base interactions energy: -1131.403 where: short stacking energy: -492.489 Base-Backbone interact. energy: -2.128 local terms energy: -484.559561 where: bonds (distance) C4'-P energy: -78.941 bonds (distance) P-C4' energy: -100.566 flat angles C4'-P-C4' energy: -96.360 flat angles P-C4'-P energy: -68.757 tors. eta vs tors. theta energy: -139.935 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: 5 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1485.158563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.158563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.158563 (E_RNA) where: Base-Base interactions energy: -1009.643 where: short stacking energy: -438.361 Base-Backbone interact. energy: 0.872 local terms energy: -476.387424 where: bonds (distance) C4'-P energy: -76.684 bonds (distance) P-C4' energy: -104.959 flat angles C4'-P-C4' energy: -107.624 flat angles P-C4'-P energy: -69.126 tors. eta vs tors. theta energy: -117.995 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: 8, replica: 9 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1411.304035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.304035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.304035 (E_RNA) where: Base-Base interactions energy: -967.220 where: short stacking energy: -429.046 Base-Backbone interact. energy: -0.145 local terms energy: -443.938435 where: bonds (distance) C4'-P energy: -65.444 bonds (distance) P-C4' energy: -116.152 flat angles C4'-P-C4' energy: -94.457 flat angles P-C4'-P energy: -65.404 tors. eta vs tors. theta energy: -102.481 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: 9, replica: 10 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1078.285337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.285337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.285337 (E_RNA) where: Base-Base interactions energy: -697.080 where: short stacking energy: -325.145 Base-Backbone interact. energy: 3.593 local terms energy: -384.798399 where: bonds (distance) C4'-P energy: -83.079 bonds (distance) P-C4' energy: -99.609 flat angles C4'-P-C4' energy: -92.712 flat angles P-C4'-P energy: -60.136 tors. eta vs tors. theta energy: -49.261 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: 7 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -1111.790021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.790021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.790021 (E_RNA) where: Base-Base interactions energy: -718.966 where: short stacking energy: -323.971 Base-Backbone interact. energy: -0.906 local terms energy: -391.918665 where: bonds (distance) C4'-P energy: -84.865 bonds (distance) P-C4' energy: -110.126 flat angles C4'-P-C4' energy: -84.694 flat angles P-C4'-P energy: -52.919 tors. eta vs tors. theta energy: -59.314 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: 8 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1905.617444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.617444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.617444 (E_RNA) where: Base-Base interactions energy: -1345.893 where: short stacking energy: -558.574 Base-Backbone interact. energy: 1.996 local terms energy: -561.720331 where: bonds (distance) C4'-P energy: -90.825 bonds (distance) P-C4' energy: -110.537 flat angles C4'-P-C4' energy: -120.428 flat angles P-C4'-P energy: -79.172 tors. eta vs tors. theta energy: -160.758 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: 4 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1864.516162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.516162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.516162 (E_RNA) where: Base-Base interactions energy: -1301.560 where: short stacking energy: -541.720 Base-Backbone interact. energy: -0.948 local terms energy: -562.007297 where: bonds (distance) C4'-P energy: -95.446 bonds (distance) P-C4' energy: -115.521 flat angles C4'-P-C4' energy: -116.038 flat angles P-C4'-P energy: -75.850 tors. eta vs tors. theta energy: -159.152 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: 3, replica: 3 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1814.704011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.704011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.704011 (E_RNA) where: Base-Base interactions energy: -1259.134 where: short stacking energy: -521.571 Base-Backbone interact. energy: -0.880 local terms energy: -554.690186 where: bonds (distance) C4'-P energy: -104.840 bonds (distance) P-C4' energy: -107.789 flat angles C4'-P-C4' energy: -113.697 flat angles P-C4'-P energy: -80.435 tors. eta vs tors. theta energy: -147.929 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: 4, replica: 1 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1774.905605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.905605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.905605 (E_RNA) where: Base-Base interactions energy: -1214.961 where: short stacking energy: -510.052 Base-Backbone interact. energy: 1.260 local terms energy: -561.204739 where: bonds (distance) C4'-P energy: -107.367 bonds (distance) P-C4' energy: -111.881 flat angles C4'-P-C4' energy: -121.639 flat angles P-C4'-P energy: -70.823 tors. eta vs tors. theta energy: -149.494 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: 5, replica: 2 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1673.465438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.465438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.465438 (E_RNA) where: Base-Base interactions energy: -1160.887 where: short stacking energy: -489.817 Base-Backbone interact. energy: 1.794 local terms energy: -514.372943 where: bonds (distance) C4'-P energy: -96.337 bonds (distance) P-C4' energy: -100.350 flat angles C4'-P-C4' energy: -111.758 flat angles P-C4'-P energy: -71.312 tors. eta vs tors. theta energy: -134.616 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: 6 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1625.952643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.952643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.952643 (E_RNA) where: Base-Base interactions energy: -1142.107 where: short stacking energy: -463.206 Base-Backbone interact. energy: 1.628 local terms energy: -485.473522 where: bonds (distance) C4'-P energy: -91.754 bonds (distance) P-C4' energy: -95.801 flat angles C4'-P-C4' energy: -106.673 flat angles P-C4'-P energy: -67.479 tors. eta vs tors. theta energy: -123.766 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: 7, replica: 5 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1427.512942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.512942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.512942 (E_RNA) where: Base-Base interactions energy: -962.476 where: short stacking energy: -415.403 Base-Backbone interact. energy: -2.248 local terms energy: -462.788790 where: bonds (distance) C4'-P energy: -85.423 bonds (distance) P-C4' energy: -97.746 flat angles C4'-P-C4' energy: -104.480 flat angles P-C4'-P energy: -74.679 tors. eta vs tors. theta energy: -100.461 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: 8, replica: 9 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1473.624892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.624892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.624892 (E_RNA) where: Base-Base interactions energy: -999.268 where: short stacking energy: -438.863 Base-Backbone interact. energy: 1.097 local terms energy: -475.453142 where: bonds (distance) C4'-P energy: -82.640 bonds (distance) P-C4' energy: -99.077 flat angles C4'-P-C4' energy: -101.759 flat angles P-C4'-P energy: -67.674 tors. eta vs tors. theta energy: -124.303 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: 9, replica: 10 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1128.734173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.734173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.734173 (E_RNA) where: Base-Base interactions energy: -734.011 where: short stacking energy: -345.392 Base-Backbone interact. energy: 3.904 local terms energy: -398.627367 where: bonds (distance) C4'-P energy: -80.853 bonds (distance) P-C4' energy: -105.815 flat angles C4'-P-C4' energy: -97.440 flat angles P-C4'-P energy: -42.547 tors. eta vs tors. theta energy: -71.973 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: 10, replica: 7 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -1112.432208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.432208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.432208 (E_RNA) where: Base-Base interactions energy: -733.562 where: short stacking energy: -340.809 Base-Backbone interact. energy: -2.799 local terms energy: -376.070964 where: bonds (distance) C4'-P energy: -74.393 bonds (distance) P-C4' energy: -85.385 flat angles C4'-P-C4' energy: -81.173 flat angles P-C4'-P energy: -62.248 tors. eta vs tors. theta energy: -72.872 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: 1, replica: 8 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1931.449797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.449797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.449797 (E_RNA) where: Base-Base interactions energy: -1348.803 where: short stacking energy: -570.882 Base-Backbone interact. energy: -0.625 local terms energy: -582.021677 where: bonds (distance) C4'-P energy: -102.444 bonds (distance) P-C4' energy: -112.460 flat angles C4'-P-C4' energy: -119.291 flat angles P-C4'-P energy: -86.687 tors. eta vs tors. theta energy: -161.139 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: 4 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1847.879485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.879485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.879485 (E_RNA) where: Base-Base interactions energy: -1299.486 where: short stacking energy: -550.580 Base-Backbone interact. energy: 0.212 local terms energy: -548.605817 where: bonds (distance) C4'-P energy: -95.529 bonds (distance) P-C4' energy: -106.866 flat angles C4'-P-C4' energy: -117.495 flat angles P-C4'-P energy: -71.463 tors. eta vs tors. theta energy: -157.252 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: 3, replica: 3 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1834.631459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.631459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.631459 (E_RNA) where: Base-Base interactions energy: -1273.986 where: short stacking energy: -526.776 Base-Backbone interact. energy: 0.838 local terms energy: -561.483496 where: bonds (distance) C4'-P energy: -104.773 bonds (distance) P-C4' energy: -105.748 flat angles C4'-P-C4' energy: -123.804 flat angles P-C4'-P energy: -78.288 tors. eta vs tors. theta energy: -148.871 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: 4, replica: 1 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1757.521256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.521256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.521256 (E_RNA) where: Base-Base interactions energy: -1229.196 where: short stacking energy: -497.278 Base-Backbone interact. energy: -1.742 local terms energy: -526.583277 where: bonds (distance) C4'-P energy: -101.216 bonds (distance) P-C4' energy: -101.129 flat angles C4'-P-C4' energy: -107.866 flat angles P-C4'-P energy: -70.877 tors. eta vs tors. theta energy: -145.495 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: 5, replica: 6 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1676.263717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.263717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.263717 (E_RNA) where: Base-Base interactions energy: -1162.667 where: short stacking energy: -498.460 Base-Backbone interact. energy: 0.832 local terms energy: -514.428775 where: bonds (distance) C4'-P energy: -89.794 bonds (distance) P-C4' energy: -105.789 flat angles C4'-P-C4' energy: -112.538 flat angles P-C4'-P energy: -71.746 tors. eta vs tors. theta energy: -134.562 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: 6, replica: 2 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1669.674110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.674110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.674110 (E_RNA) where: Base-Base interactions energy: -1173.602 where: short stacking energy: -486.274 Base-Backbone interact. energy: -0.013 local terms energy: -496.059732 where: bonds (distance) C4'-P energy: -84.044 bonds (distance) P-C4' energy: -110.290 flat angles C4'-P-C4' energy: -105.324 flat angles P-C4'-P energy: -64.492 tors. eta vs tors. theta energy: -131.910 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: 7, replica: 9 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1452.880114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.880114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.880114 (E_RNA) where: Base-Base interactions energy: -973.736 where: short stacking energy: -411.916 Base-Backbone interact. energy: -1.726 local terms energy: -477.418191 where: bonds (distance) C4'-P energy: -105.152 bonds (distance) P-C4' energy: -98.308 flat angles C4'-P-C4' energy: -96.018 flat angles P-C4'-P energy: -63.475 tors. eta vs tors. theta energy: -114.465 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: 8, replica: 5 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1410.457761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.457761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.457761 (E_RNA) where: Base-Base interactions energy: -958.575 where: short stacking energy: -406.077 Base-Backbone interact. energy: -0.697 local terms energy: -451.185931 where: bonds (distance) C4'-P energy: -90.757 bonds (distance) P-C4' energy: -109.454 flat angles C4'-P-C4' energy: -103.070 flat angles P-C4'-P energy: -48.167 tors. eta vs tors. theta energy: -99.738 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: 10 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1108.677839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.677839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.677839 (E_RNA) where: Base-Base interactions energy: -730.928 where: short stacking energy: -331.374 Base-Backbone interact. energy: 1.797 local terms energy: -379.546919 where: bonds (distance) C4'-P energy: -77.353 bonds (distance) P-C4' energy: -97.613 flat angles C4'-P-C4' energy: -91.190 flat angles P-C4'-P energy: -50.294 tors. eta vs tors. theta energy: -63.096 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: 10, replica: 7 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -1156.625277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.625277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.625277 (E_RNA) where: Base-Base interactions energy: -728.113 where: short stacking energy: -335.318 Base-Backbone interact. energy: -0.191 local terms energy: -428.321428 where: bonds (distance) C4'-P energy: -95.385 bonds (distance) P-C4' energy: -98.219 flat angles C4'-P-C4' energy: -93.020 flat angles P-C4'-P energy: -68.207 tors. eta vs tors. theta energy: -73.491 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: 8 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1908.389594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.389594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.389594 (E_RNA) where: Base-Base interactions energy: -1339.088 where: short stacking energy: -557.719 Base-Backbone interact. energy: 0.683 local terms energy: -569.984350 where: bonds (distance) C4'-P energy: -98.885 bonds (distance) P-C4' energy: -107.524 flat angles C4'-P-C4' energy: -118.473 flat angles P-C4'-P energy: -87.223 tors. eta vs tors. theta energy: -157.880 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: 3 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1842.991719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.991719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.991719 (E_RNA) where: Base-Base interactions energy: -1261.171 where: short stacking energy: -522.066 Base-Backbone interact. energy: -1.650 local terms energy: -580.170872 where: bonds (distance) C4'-P energy: -107.039 bonds (distance) P-C4' energy: -116.203 flat angles C4'-P-C4' energy: -116.467 flat angles P-C4'-P energy: -86.654 tors. eta vs tors. theta energy: -153.808 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: 4 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1794.793324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.793324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.793324 (E_RNA) where: Base-Base interactions energy: -1251.965 where: short stacking energy: -522.622 Base-Backbone interact. energy: -0.028 local terms energy: -542.800239 where: bonds (distance) C4'-P energy: -92.834 bonds (distance) P-C4' energy: -117.239 flat angles C4'-P-C4' energy: -110.826 flat angles P-C4'-P energy: -73.143 tors. eta vs tors. theta energy: -148.757 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: 1 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1775.731874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.731874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.731874 (E_RNA) where: Base-Base interactions energy: -1247.872 where: short stacking energy: -515.294 Base-Backbone interact. energy: 3.110 local terms energy: -530.969696 where: bonds (distance) C4'-P energy: -88.990 bonds (distance) P-C4' energy: -113.271 flat angles C4'-P-C4' energy: -111.910 flat angles P-C4'-P energy: -75.390 tors. eta vs tors. theta energy: -141.407 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: 6 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1672.328117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.328117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.328117 (E_RNA) where: Base-Base interactions energy: -1144.749 where: short stacking energy: -496.687 Base-Backbone interact. energy: -1.482 local terms energy: -526.096488 where: bonds (distance) C4'-P energy: -99.533 bonds (distance) P-C4' energy: -104.937 flat angles C4'-P-C4' energy: -107.619 flat angles P-C4'-P energy: -79.048 tors. eta vs tors. theta energy: -134.958 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: 6, replica: 2 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1687.122328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.122328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.122328 (E_RNA) where: Base-Base interactions energy: -1161.552 where: short stacking energy: -502.564 Base-Backbone interact. energy: -0.111 local terms energy: -525.459088 where: bonds (distance) C4'-P energy: -96.589 bonds (distance) P-C4' energy: -103.920 flat angles C4'-P-C4' energy: -110.845 flat angles P-C4'-P energy: -66.334 tors. eta vs tors. theta energy: -147.771 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: 7, replica: 9 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1493.197568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.197568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.197568 (E_RNA) where: Base-Base interactions energy: -1019.701 where: short stacking energy: -433.458 Base-Backbone interact. energy: 2.713 local terms energy: -476.209511 where: bonds (distance) C4'-P energy: -82.508 bonds (distance) P-C4' energy: -117.359 flat angles C4'-P-C4' energy: -102.851 flat angles P-C4'-P energy: -61.961 tors. eta vs tors. theta energy: -111.531 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: 5 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1399.758573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.758573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.758573 (E_RNA) where: Base-Base interactions energy: -965.857 where: short stacking energy: -396.060 Base-Backbone interact. energy: 1.436 local terms energy: -435.337962 where: bonds (distance) C4'-P energy: -86.622 bonds (distance) P-C4' energy: -94.529 flat angles C4'-P-C4' energy: -103.021 flat angles P-C4'-P energy: -61.418 tors. eta vs tors. theta energy: -89.748 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: 103 Temperature: 1.300000 Total energy: -1132.098066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.098066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.098066 (E_RNA) where: Base-Base interactions energy: -745.976 where: short stacking energy: -315.619 Base-Backbone interact. energy: 5.518 local terms energy: -391.639541 where: bonds (distance) C4'-P energy: -83.834 bonds (distance) P-C4' energy: -93.095 flat angles C4'-P-C4' energy: -89.835 flat angles P-C4'-P energy: -62.520 tors. eta vs tors. theta energy: -62.356 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: 7 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -1131.358377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.358377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.358377 (E_RNA) where: Base-Base interactions energy: -718.517 where: short stacking energy: -335.331 Base-Backbone interact. energy: 2.052 local terms energy: -414.893033 where: bonds (distance) C4'-P energy: -91.314 bonds (distance) P-C4' energy: -113.306 flat angles C4'-P-C4' energy: -79.442 flat angles P-C4'-P energy: -61.572 tors. eta vs tors. theta energy: -69.260 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: 1, replica: 8 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1893.323045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.323045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.323045 (E_RNA) where: Base-Base interactions energy: -1310.169 where: short stacking energy: -547.678 Base-Backbone interact. energy: 5.555 local terms energy: -588.708618 where: bonds (distance) C4'-P energy: -105.182 bonds (distance) P-C4' energy: -116.185 flat angles C4'-P-C4' energy: -119.595 flat angles P-C4'-P energy: -85.901 tors. eta vs tors. theta energy: -161.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1850.231025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.231025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.231025 (E_RNA) where: Base-Base interactions energy: -1297.611 where: short stacking energy: -525.995 Base-Backbone interact. energy: -1.767 local terms energy: -550.853671 where: bonds (distance) C4'-P energy: -95.818 bonds (distance) P-C4' energy: -105.071 flat angles C4'-P-C4' energy: -119.090 flat angles P-C4'-P energy: -77.894 tors. eta vs tors. theta energy: -152.980 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: 104 Temperature: 1.000000 Total energy: -1779.790998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.790998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.790998 (E_RNA) where: Base-Base interactions energy: -1248.074 where: short stacking energy: -500.847 Base-Backbone interact. energy: -2.181 local terms energy: -529.535270 where: bonds (distance) C4'-P energy: -101.128 bonds (distance) P-C4' energy: -103.491 flat angles C4'-P-C4' energy: -116.483 flat angles P-C4'-P energy: -70.234 tors. eta vs tors. theta energy: -138.199 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: 4, replica: 1 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1758.383572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.383572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.383572 (E_RNA) where: Base-Base interactions energy: -1219.946 where: short stacking energy: -508.607 Base-Backbone interact. energy: -1.174 local terms energy: -537.263556 where: bonds (distance) C4'-P energy: -89.430 bonds (distance) P-C4' energy: -109.393 flat angles C4'-P-C4' energy: -114.102 flat angles P-C4'-P energy: -78.351 tors. eta vs tors. theta energy: -145.988 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: 5, replica: 2 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1711.177695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.177695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.177695 (E_RNA) where: Base-Base interactions energy: -1182.684 where: short stacking energy: -496.742 Base-Backbone interact. energy: 4.139 local terms energy: -532.632845 where: bonds (distance) C4'-P energy: -96.645 bonds (distance) P-C4' energy: -107.694 flat angles C4'-P-C4' energy: -112.479 flat angles P-C4'-P energy: -76.507 tors. eta vs tors. theta energy: -139.308 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: 6, replica: 6 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1621.366315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.366315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.366315 (E_RNA) where: Base-Base interactions energy: -1122.353 where: short stacking energy: -462.350 Base-Backbone interact. energy: 0.585 local terms energy: -499.598235 where: bonds (distance) C4'-P energy: -92.916 bonds (distance) P-C4' energy: -111.083 flat angles C4'-P-C4' energy: -102.444 flat angles P-C4'-P energy: -69.686 tors. eta vs tors. theta energy: -123.470 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: 9 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1526.342943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.342943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.342943 (E_RNA) where: Base-Base interactions energy: -1041.768 where: short stacking energy: -442.508 Base-Backbone interact. energy: 2.025 local terms energy: -486.600297 where: bonds (distance) C4'-P energy: -91.607 bonds (distance) P-C4' energy: -108.780 flat angles C4'-P-C4' energy: -107.368 flat angles P-C4'-P energy: -64.623 tors. eta vs tors. theta energy: -114.222 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: 8, replica: 5 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1445.765401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.765401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.765401 (E_RNA) where: Base-Base interactions energy: -994.389 where: short stacking energy: -424.629 Base-Backbone interact. energy: -0.305 local terms energy: -451.071398 where: bonds (distance) C4'-P energy: -77.228 bonds (distance) P-C4' energy: -99.610 flat angles C4'-P-C4' energy: -101.693 flat angles P-C4'-P energy: -69.587 tors. eta vs tors. theta energy: -102.953 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: 7 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1151.540738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.540738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.540738 (E_RNA) where: Base-Base interactions energy: -728.896 where: short stacking energy: -336.005 Base-Backbone interact. energy: -0.316 local terms energy: -422.329096 where: bonds (distance) C4'-P energy: -95.661 bonds (distance) P-C4' energy: -83.066 flat angles C4'-P-C4' energy: -95.785 flat angles P-C4'-P energy: -68.816 tors. eta vs tors. theta energy: -79.001 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: 10, replica: 10 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -1084.377656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.377656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.377656 (E_RNA) where: Base-Base interactions energy: -697.969 where: short stacking energy: -310.602 Base-Backbone interact. energy: -1.569 local terms energy: -384.839706 where: bonds (distance) C4'-P energy: -94.111 bonds (distance) P-C4' energy: -104.414 flat angles C4'-P-C4' energy: -86.386 flat angles P-C4'-P energy: -42.837 tors. eta vs tors. theta energy: -57.092 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: 8 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1910.491583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.491583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.491583 (E_RNA) where: Base-Base interactions energy: -1335.663 where: short stacking energy: -549.090 Base-Backbone interact. energy: 0.341 local terms energy: -575.168979 where: bonds (distance) C4'-P energy: -105.627 bonds (distance) P-C4' energy: -115.179 flat angles C4'-P-C4' energy: -115.669 flat angles P-C4'-P energy: -78.983 tors. eta vs tors. theta energy: -159.710 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: 3 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1843.211570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.211570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.211570 (E_RNA) where: Base-Base interactions energy: -1307.303 where: short stacking energy: -542.498 Base-Backbone interact. energy: 1.699 local terms energy: -537.607314 where: bonds (distance) C4'-P energy: -72.720 bonds (distance) P-C4' energy: -111.190 flat angles C4'-P-C4' energy: -116.368 flat angles P-C4'-P energy: -81.586 tors. eta vs tors. theta energy: -155.744 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: 3, replica: 4 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1797.205989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.205989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.205989 (E_RNA) where: Base-Base interactions energy: -1265.507 where: short stacking energy: -525.677 Base-Backbone interact. energy: 1.276 local terms energy: -532.974663 where: bonds (distance) C4'-P energy: -88.342 bonds (distance) P-C4' energy: -113.058 flat angles C4'-P-C4' energy: -110.900 flat angles P-C4'-P energy: -73.857 tors. eta vs tors. theta energy: -146.817 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: 4, replica: 2 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1771.712186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.712186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.712186 (E_RNA) where: Base-Base interactions energy: -1226.145 where: short stacking energy: -504.481 Base-Backbone interact. energy: -2.351 local terms energy: -543.216542 where: bonds (distance) C4'-P energy: -100.483 bonds (distance) P-C4' energy: -101.569 flat angles C4'-P-C4' energy: -119.246 flat angles P-C4'-P energy: -76.736 tors. eta vs tors. theta energy: -145.184 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: 1 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1731.265461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.265461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.265461 (E_RNA) where: Base-Base interactions energy: -1227.823 where: short stacking energy: -509.746 Base-Backbone interact. energy: 0.090 local terms energy: -503.533127 where: bonds (distance) C4'-P energy: -85.574 bonds (distance) P-C4' energy: -88.540 flat angles C4'-P-C4' energy: -113.279 flat angles P-C4'-P energy: -72.755 tors. eta vs tors. theta energy: -143.385 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: 6, replica: 6 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1612.639275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.639275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.639275 (E_RNA) where: Base-Base interactions energy: -1110.947 where: short stacking energy: -470.881 Base-Backbone interact. energy: 0.226 local terms energy: -501.918633 where: bonds (distance) C4'-P energy: -90.022 bonds (distance) P-C4' energy: -101.478 flat angles C4'-P-C4' energy: -108.926 flat angles P-C4'-P energy: -73.185 tors. eta vs tors. theta energy: -128.307 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: 7, replica: 9 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1496.521986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.521986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.521986 (E_RNA) where: Base-Base interactions energy: -1036.902 where: short stacking energy: -426.468 Base-Backbone interact. energy: -0.269 local terms energy: -459.350587 where: bonds (distance) C4'-P energy: -89.154 bonds (distance) P-C4' energy: -100.651 flat angles C4'-P-C4' energy: -95.701 flat angles P-C4'-P energy: -75.680 tors. eta vs tors. theta energy: -98.165 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: 5 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1435.057051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.057051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.057051 (E_RNA) where: Base-Base interactions energy: -969.078 where: short stacking energy: -389.383 Base-Backbone interact. energy: 0.760 local terms energy: -466.738455 where: bonds (distance) C4'-P energy: -92.465 bonds (distance) P-C4' energy: -108.856 flat angles C4'-P-C4' energy: -108.346 flat angles P-C4'-P energy: -62.792 tors. eta vs tors. theta energy: -94.279 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: 9, replica: 7 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1157.780116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.780116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.780116 (E_RNA) where: Base-Base interactions energy: -748.246 where: short stacking energy: -345.534 Base-Backbone interact. energy: -0.803 local terms energy: -408.730877 where: bonds (distance) C4'-P energy: -87.971 bonds (distance) P-C4' energy: -95.546 flat angles C4'-P-C4' energy: -92.873 flat angles P-C4'-P energy: -50.237 tors. eta vs tors. theta energy: -82.104 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: 10, replica: 10 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -1095.028616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.028616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.028616 (E_RNA) where: Base-Base interactions energy: -694.546 where: short stacking energy: -309.022 Base-Backbone interact. energy: -2.344 local terms energy: -398.138771 where: bonds (distance) C4'-P energy: -88.168 bonds (distance) P-C4' energy: -97.419 flat angles C4'-P-C4' energy: -100.955 flat angles P-C4'-P energy: -56.172 tors. eta vs tors. theta energy: -55.425 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: 1, replica: 8 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1900.468836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.468836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.468836 (E_RNA) where: Base-Base interactions energy: -1345.078 where: short stacking energy: -562.914 Base-Backbone interact. energy: 2.643 local terms energy: -558.033981 where: bonds (distance) C4'-P energy: -90.432 bonds (distance) P-C4' energy: -110.178 flat angles C4'-P-C4' energy: -115.020 flat angles P-C4'-P energy: -83.333 tors. eta vs tors. theta energy: -159.071 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: 2, replica: 3 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1840.810115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.810115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.810115 (E_RNA) where: Base-Base interactions energy: -1287.777 where: short stacking energy: -530.951 Base-Backbone interact. energy: -1.734 local terms energy: -551.298817 where: bonds (distance) C4'-P energy: -93.698 bonds (distance) P-C4' energy: -111.687 flat angles C4'-P-C4' energy: -105.940 flat angles P-C4'-P energy: -85.447 tors. eta vs tors. theta energy: -154.527 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: 3, replica: 2 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1751.574674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.574674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.574674 (E_RNA) where: Base-Base interactions energy: -1221.462 where: short stacking energy: -520.767 Base-Backbone interact. energy: 4.716 local terms energy: -534.828081 where: bonds (distance) C4'-P energy: -93.881 bonds (distance) P-C4' energy: -111.284 flat angles C4'-P-C4' energy: -109.487 flat angles P-C4'-P energy: -77.247 tors. eta vs tors. theta energy: -142.930 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: 4, replica: 4 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1756.969882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.969882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.969882 (E_RNA) where: Base-Base interactions energy: -1225.769 where: short stacking energy: -494.346 Base-Backbone interact. energy: -0.844 local terms energy: -530.356713 where: bonds (distance) C4'-P energy: -100.056 bonds (distance) P-C4' energy: -110.844 flat angles C4'-P-C4' energy: -109.545 flat angles P-C4'-P energy: -74.055 tors. eta vs tors. theta energy: -135.857 Dist. restrs. and SS energy: 0.000 (S_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: 106 Temperature: 1.100000 Total energy: -1727.075648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.075648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.075648 (E_RNA) where: Base-Base interactions energy: -1192.220 where: short stacking energy: -497.530 Base-Backbone interact. energy: -3.100 local terms energy: -531.755934 where: bonds (distance) C4'-P energy: -94.431 bonds (distance) P-C4' energy: -104.441 flat angles C4'-P-C4' energy: -110.223 flat angles P-C4'-P energy: -78.746 tors. eta vs tors. theta energy: -143.916 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: 6, replica: 6 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1654.380155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.380155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.380155 (E_RNA) where: Base-Base interactions energy: -1155.546 where: short stacking energy: -489.232 Base-Backbone interact. energy: 2.327 local terms energy: -501.160315 where: bonds (distance) C4'-P energy: -95.590 bonds (distance) P-C4' energy: -104.208 flat angles C4'-P-C4' energy: -100.769 flat angles P-C4'-P energy: -71.932 tors. eta vs tors. theta energy: -128.660 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: 9 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1499.114160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.114160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.114160 (E_RNA) where: Base-Base interactions energy: -1031.193 where: short stacking energy: -435.419 Base-Backbone interact. energy: 3.894 local terms energy: -471.814999 where: bonds (distance) C4'-P energy: -76.753 bonds (distance) P-C4' energy: -107.317 flat angles C4'-P-C4' energy: -110.132 flat angles P-C4'-P energy: -67.126 tors. eta vs tors. theta energy: -110.487 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: 5 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1382.629456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.629456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.629456 (E_RNA) where: Base-Base interactions energy: -936.995 where: short stacking energy: -375.971 Base-Backbone interact. energy: 3.908 local terms energy: -449.542450 where: bonds (distance) C4'-P energy: -91.476 bonds (distance) P-C4' energy: -101.719 flat angles C4'-P-C4' energy: -91.429 flat angles P-C4'-P energy: -72.791 tors. eta vs tors. theta energy: -92.127 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: 9, replica: 7 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1152.318248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.318248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.318248 (E_RNA) where: Base-Base interactions energy: -721.437 where: short stacking energy: -324.418 Base-Backbone interact. energy: 5.774 local terms energy: -436.655767 where: bonds (distance) C4'-P energy: -107.968 bonds (distance) P-C4' energy: -94.403 flat angles C4'-P-C4' energy: -98.228 flat angles P-C4'-P energy: -64.054 tors. eta vs tors. theta energy: -72.004 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: 10 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -1108.013203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.013203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.013203 (E_RNA) where: Base-Base interactions energy: -714.621 where: short stacking energy: -318.592 Base-Backbone interact. energy: 2.146 local terms energy: -395.538390 where: bonds (distance) C4'-P energy: -70.391 bonds (distance) P-C4' energy: -109.893 flat angles C4'-P-C4' energy: -89.981 flat angles P-C4'-P energy: -59.376 tors. eta vs tors. theta energy: -65.897 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: 8 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1902.434148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.434148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.434148 (E_RNA) where: Base-Base interactions energy: -1325.074 where: short stacking energy: -544.701 Base-Backbone interact. energy: 0.123 local terms energy: -577.483145 where: bonds (distance) C4'-P energy: -92.626 bonds (distance) P-C4' energy: -120.520 flat angles C4'-P-C4' energy: -119.230 flat angles P-C4'-P energy: -82.177 tors. eta vs tors. theta energy: -162.930 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: 3 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1840.624851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.624851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.624851 (E_RNA) where: Base-Base interactions energy: -1291.689 where: short stacking energy: -549.634 Base-Backbone interact. energy: 2.835 local terms energy: -551.770317 where: bonds (distance) C4'-P energy: -97.774 bonds (distance) P-C4' energy: -103.097 flat angles C4'-P-C4' energy: -116.774 flat angles P-C4'-P energy: -78.421 tors. eta vs tors. theta energy: -155.704 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: 3, replica: 2 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1772.091915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.091915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.091915 (E_RNA) where: Base-Base interactions energy: -1227.288 where: short stacking energy: -526.032 Base-Backbone interact. energy: -0.073 local terms energy: -544.731222 where: bonds (distance) C4'-P energy: -101.070 bonds (distance) P-C4' energy: -112.739 flat angles C4'-P-C4' energy: -110.433 flat angles P-C4'-P energy: -79.346 tors. eta vs tors. theta energy: -141.143 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: 4, replica: 4 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1779.926153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.926153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.926153 (E_RNA) where: Base-Base interactions energy: -1255.244 where: short stacking energy: -515.061 Base-Backbone interact. energy: 0.853 local terms energy: -525.535868 where: bonds (distance) C4'-P energy: -83.253 bonds (distance) P-C4' energy: -101.826 flat angles C4'-P-C4' energy: -117.713 flat angles P-C4'-P energy: -74.254 tors. eta vs tors. theta energy: -148.490 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: 107 Temperature: 1.100000 Total energy: -1732.583045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.583045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.583045 (E_RNA) where: Base-Base interactions energy: -1197.318 where: short stacking energy: -505.019 Base-Backbone interact. energy: 0.976 local terms energy: -536.240900 where: bonds (distance) C4'-P energy: -88.523 bonds (distance) P-C4' energy: -111.648 flat angles C4'-P-C4' energy: -111.817 flat angles P-C4'-P energy: -83.530 tors. eta vs tors. theta energy: -140.723 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: 6, replica: 6 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1621.614442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.614442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.614442 (E_RNA) where: Base-Base interactions energy: -1110.913 where: short stacking energy: -465.068 Base-Backbone interact. energy: -2.814 local terms energy: -507.887039 where: bonds (distance) C4'-P energy: -90.377 bonds (distance) P-C4' energy: -95.813 flat angles C4'-P-C4' energy: -119.295 flat angles P-C4'-P energy: -70.729 tors. eta vs tors. theta energy: -131.672 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: 7, replica: 9 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1504.239566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.239566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.239566 (E_RNA) where: Base-Base interactions energy: -1037.890 where: short stacking energy: -448.948 Base-Backbone interact. energy: 3.330 local terms energy: -469.679588 where: bonds (distance) C4'-P energy: -88.892 bonds (distance) P-C4' energy: -94.122 flat angles C4'-P-C4' energy: -115.536 flat angles P-C4'-P energy: -60.349 tors. eta vs tors. theta energy: -110.780 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: 5 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1441.724711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.724711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.724711 (E_RNA) where: Base-Base interactions energy: -961.492 where: short stacking energy: -424.390 Base-Backbone interact. energy: 0.340 local terms energy: -480.572616 where: bonds (distance) C4'-P energy: -94.317 bonds (distance) P-C4' energy: -97.325 flat angles C4'-P-C4' energy: -100.938 flat angles P-C4'-P energy: -74.626 tors. eta vs tors. theta energy: -113.366 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: 9, replica: 7 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1139.446982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.446982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.446982 (E_RNA) where: Base-Base interactions energy: -725.745 where: short stacking energy: -333.472 Base-Backbone interact. energy: 3.689 local terms energy: -417.390909 where: bonds (distance) C4'-P energy: -84.524 bonds (distance) P-C4' energy: -93.335 flat angles C4'-P-C4' energy: -105.629 flat angles P-C4'-P energy: -72.430 tors. eta vs tors. theta energy: -61.473 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: 10, replica: 10 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -1103.467909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.467909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.467909 (E_RNA) where: Base-Base interactions energy: -733.885 where: short stacking energy: -330.269 Base-Backbone interact. energy: 4.447 local terms energy: -374.029301 where: bonds (distance) C4'-P energy: -64.697 bonds (distance) P-C4' energy: -102.418 flat angles C4'-P-C4' energy: -78.698 flat angles P-C4'-P energy: -61.859 tors. eta vs tors. theta energy: -66.357 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: 1, replica: 8 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1911.649017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.649017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.649017 (E_RNA) where: Base-Base interactions energy: -1340.444 where: short stacking energy: -562.259 Base-Backbone interact. energy: -0.300 local terms energy: -570.905008 where: bonds (distance) C4'-P energy: -100.535 bonds (distance) P-C4' energy: -117.163 flat angles C4'-P-C4' energy: -122.364 flat angles P-C4'-P energy: -77.037 tors. eta vs tors. theta energy: -153.806 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: 3 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1858.590568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.590568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.590568 (E_RNA) where: Base-Base interactions energy: -1300.567 where: short stacking energy: -547.576 Base-Backbone interact. energy: -0.118 local terms energy: -557.905473 where: bonds (distance) C4'-P energy: -91.874 bonds (distance) P-C4' energy: -118.070 flat angles C4'-P-C4' energy: -115.900 flat angles P-C4'-P energy: -78.257 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: 3, replica: 4 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1816.943097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.943097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.943097 (E_RNA) where: Base-Base interactions energy: -1267.807 where: short stacking energy: -532.521 Base-Backbone interact. energy: 2.480 local terms energy: -551.615656 where: bonds (distance) C4'-P energy: -98.238 bonds (distance) P-C4' energy: -108.887 flat angles C4'-P-C4' energy: -120.184 flat angles P-C4'-P energy: -68.096 tors. eta vs tors. theta energy: -156.210 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: 4, replica: 2 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1756.912390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.912390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.912390 (E_RNA) where: Base-Base interactions energy: -1230.117 where: short stacking energy: -509.553 Base-Backbone interact. energy: -0.309 local terms energy: -526.486537 where: bonds (distance) C4'-P energy: -91.131 bonds (distance) P-C4' energy: -110.316 flat angles C4'-P-C4' energy: -103.647 flat angles P-C4'-P energy: -73.127 tors. eta vs tors. theta energy: -148.266 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: 5, replica: 1 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1762.562812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.562812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.562812 (E_RNA) where: Base-Base interactions energy: -1230.751 where: short stacking energy: -517.219 Base-Backbone interact. energy: -2.385 local terms energy: -529.426197 where: bonds (distance) C4'-P energy: -90.084 bonds (distance) P-C4' energy: -108.220 flat angles C4'-P-C4' energy: -102.562 flat angles P-C4'-P energy: -78.716 tors. eta vs tors. theta energy: -149.843 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: 6 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1618.066821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.066821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.066821 (E_RNA) where: Base-Base interactions energy: -1118.346 where: short stacking energy: -465.351 Base-Backbone interact. energy: -3.057 local terms energy: -496.664149 where: bonds (distance) C4'-P energy: -86.345 bonds (distance) P-C4' energy: -102.642 flat angles C4'-P-C4' energy: -114.613 flat angles P-C4'-P energy: -70.483 tors. eta vs tors. theta energy: -122.581 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: 9 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1485.842118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.842118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.842118 (E_RNA) where: Base-Base interactions energy: -1003.938 where: short stacking energy: -429.337 Base-Backbone interact. energy: 0.074 local terms energy: -481.977480 where: bonds (distance) C4'-P energy: -92.257 bonds (distance) P-C4' energy: -104.221 flat angles C4'-P-C4' energy: -106.134 flat angles P-C4'-P energy: -81.045 tors. eta vs tors. theta energy: -98.320 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: 8, replica: 5 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1373.391152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.391152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.391152 (E_RNA) where: Base-Base interactions energy: -944.673 where: short stacking energy: -388.069 Base-Backbone interact. energy: 1.032 local terms energy: -429.749649 where: bonds (distance) C4'-P energy: -86.219 bonds (distance) P-C4' energy: -107.573 flat angles C4'-P-C4' energy: -69.457 flat angles P-C4'-P energy: -66.539 tors. eta vs tors. theta energy: -99.960 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: 7 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1120.891390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.891390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.891390 (E_RNA) where: Base-Base interactions energy: -716.372 where: short stacking energy: -315.671 Base-Backbone interact. energy: -0.370 local terms energy: -404.149916 where: bonds (distance) C4'-P energy: -90.458 bonds (distance) P-C4' energy: -93.473 flat angles C4'-P-C4' energy: -87.907 flat angles P-C4'-P energy: -63.507 tors. eta vs tors. theta energy: -68.805 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: 10 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -1095.370283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.370283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.370283 (E_RNA) where: Base-Base interactions energy: -704.056 where: short stacking energy: -308.087 Base-Backbone interact. energy: -1.639 local terms energy: -389.675408 where: bonds (distance) C4'-P energy: -77.976 bonds (distance) P-C4' energy: -101.938 flat angles C4'-P-C4' energy: -86.372 flat angles P-C4'-P energy: -61.245 tors. eta vs tors. theta energy: -62.144 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: 8 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1911.200138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.200138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.200138 (E_RNA) where: Base-Base interactions energy: -1347.555 where: short stacking energy: -560.266 Base-Backbone interact. energy: -0.341 local terms energy: -563.304663 where: bonds (distance) C4'-P energy: -96.689 bonds (distance) P-C4' energy: -111.223 flat angles C4'-P-C4' energy: -116.415 flat angles P-C4'-P energy: -80.165 tors. eta vs tors. theta energy: -158.812 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: 2, replica: 4 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1862.214389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.214389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.214389 (E_RNA) where: Base-Base interactions energy: -1302.147 where: short stacking energy: -531.660 Base-Backbone interact. energy: 4.682 local terms energy: -564.749320 where: bonds (distance) C4'-P energy: -102.696 bonds (distance) P-C4' energy: -113.605 flat angles C4'-P-C4' energy: -114.810 flat angles P-C4'-P energy: -84.954 tors. eta vs tors. theta energy: -148.684 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: 3, replica: 3 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1804.376131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.376131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.376131 (E_RNA) where: Base-Base interactions energy: -1272.831 where: short stacking energy: -536.346 Base-Backbone interact. energy: -0.710 local terms energy: -530.835844 where: bonds (distance) C4'-P energy: -85.312 bonds (distance) P-C4' energy: -113.600 flat angles C4'-P-C4' energy: -117.173 flat angles P-C4'-P energy: -73.074 tors. eta vs tors. theta energy: -141.677 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: 2 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1763.633125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.633125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.633125 (E_RNA) where: Base-Base interactions energy: -1208.044 where: short stacking energy: -516.113 Base-Backbone interact. energy: 1.230 local terms energy: -556.818517 where: bonds (distance) C4'-P energy: -103.466 bonds (distance) P-C4' energy: -120.338 flat angles C4'-P-C4' energy: -111.734 flat angles P-C4'-P energy: -69.110 tors. eta vs tors. theta energy: -152.171 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: 1 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1738.310104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.310104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.310104 (E_RNA) where: Base-Base interactions energy: -1216.291 where: short stacking energy: -490.132 Base-Backbone interact. energy: -0.095 local terms energy: -521.923542 where: bonds (distance) C4'-P energy: -97.232 bonds (distance) P-C4' energy: -105.415 flat angles C4'-P-C4' energy: -108.516 flat angles P-C4'-P energy: -76.333 tors. eta vs tors. theta energy: -134.428 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: 6, replica: 6 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1597.196673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.196673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.196673 (E_RNA) where: Base-Base interactions energy: -1094.625 where: short stacking energy: -467.182 Base-Backbone interact. energy: 0.774 local terms energy: -503.345733 where: bonds (distance) C4'-P energy: -91.958 bonds (distance) P-C4' energy: -110.856 flat angles C4'-P-C4' energy: -107.974 flat angles P-C4'-P energy: -66.186 tors. eta vs tors. theta energy: -126.371 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: 7, replica: 9 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1463.275441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.275441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.275441 (E_RNA) where: Base-Base interactions energy: -1010.456 where: short stacking energy: -428.070 Base-Backbone interact. energy: 0.801 local terms energy: -453.620502 where: bonds (distance) C4'-P energy: -81.732 bonds (distance) P-C4' energy: -110.051 flat angles C4'-P-C4' energy: -94.790 flat angles P-C4'-P energy: -61.567 tors. eta vs tors. theta energy: -105.481 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: 8, replica: 5 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1399.162228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.162228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.162228 (E_RNA) where: Base-Base interactions energy: -922.508 where: short stacking energy: -391.129 Base-Backbone interact. energy: 0.001 local terms energy: -476.654385 where: bonds (distance) C4'-P energy: -96.089 bonds (distance) P-C4' energy: -93.937 flat angles C4'-P-C4' energy: -108.442 flat angles P-C4'-P energy: -71.701 tors. eta vs tors. theta energy: -106.485 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: 7 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1123.220860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.220860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.220860 (E_RNA) where: Base-Base interactions energy: -702.972 where: short stacking energy: -319.644 Base-Backbone interact. energy: 2.155 local terms energy: -422.404700 where: bonds (distance) C4'-P energy: -97.607 bonds (distance) P-C4' energy: -103.588 flat angles C4'-P-C4' energy: -92.873 flat angles P-C4'-P energy: -60.068 tors. eta vs tors. theta energy: -68.268 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: 10, replica: 10 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -1109.812049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.812049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.812049 (E_RNA) where: Base-Base interactions energy: -724.340 where: short stacking energy: -332.831 Base-Backbone interact. energy: -0.341 local terms energy: -385.131922 where: bonds (distance) C4'-P energy: -86.455 bonds (distance) P-C4' energy: -92.476 flat angles C4'-P-C4' energy: -80.533 flat angles P-C4'-P energy: -51.254 tors. eta vs tors. theta energy: -74.414 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: 8 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1907.213673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.213673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.213673 (E_RNA) where: Base-Base interactions energy: -1332.365 where: short stacking energy: -557.176 Base-Backbone interact. energy: 2.388 local terms energy: -577.236796 where: bonds (distance) C4'-P energy: -110.409 bonds (distance) P-C4' energy: -114.933 flat angles C4'-P-C4' energy: -108.533 flat angles P-C4'-P energy: -89.775 tors. eta vs tors. theta energy: -153.588 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: 2, replica: 4 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1869.246731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.246731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.246731 (E_RNA) where: Base-Base interactions energy: -1332.522 where: short stacking energy: -538.223 Base-Backbone interact. energy: -1.438 local terms energy: -535.286517 where: bonds (distance) C4'-P energy: -98.084 bonds (distance) P-C4' energy: -105.203 flat angles C4'-P-C4' energy: -123.366 flat angles P-C4'-P energy: -64.284 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: 3, replica: 3 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1834.559996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.559996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.559996 (E_RNA) where: Base-Base interactions energy: -1288.378 where: short stacking energy: -516.675 Base-Backbone interact. energy: 3.463 local terms energy: -549.645032 where: bonds (distance) C4'-P energy: -94.539 bonds (distance) P-C4' energy: -110.332 flat angles C4'-P-C4' energy: -115.444 flat angles P-C4'-P energy: -83.011 tors. eta vs tors. theta energy: -146.318 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: 4, replica: 2 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1773.482001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.482001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.482001 (E_RNA) where: Base-Base interactions energy: -1213.617 where: short stacking energy: -523.907 Base-Backbone interact. energy: -1.397 local terms energy: -558.468191 where: bonds (distance) C4'-P energy: -93.223 bonds (distance) P-C4' energy: -111.384 flat angles C4'-P-C4' energy: -119.892 flat angles P-C4'-P energy: -77.589 tors. eta vs tors. theta energy: -156.380 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: 1 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1738.388461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.388461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.388461 (E_RNA) where: Base-Base interactions energy: -1216.162 where: short stacking energy: -511.297 Base-Backbone interact. energy: -1.436 local terms energy: -520.790749 where: bonds (distance) C4'-P energy: -92.215 bonds (distance) P-C4' energy: -100.158 flat angles C4'-P-C4' energy: -116.973 flat angles P-C4'-P energy: -79.298 tors. eta vs tors. theta energy: -132.147 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: 6 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1647.985100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.985100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.985100 (E_RNA) where: Base-Base interactions energy: -1142.439 where: short stacking energy: -492.143 Base-Backbone interact. energy: -1.190 local terms energy: -504.356556 where: bonds (distance) C4'-P energy: -92.375 bonds (distance) P-C4' energy: -100.318 flat angles C4'-P-C4' energy: -113.170 flat angles P-C4'-P energy: -65.656 tors. eta vs tors. theta energy: -132.838 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: 5 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1536.333262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.333262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.333262 (E_RNA) where: Base-Base interactions energy: -1066.621 where: short stacking energy: -444.632 Base-Backbone interact. energy: 3.455 local terms energy: -473.167535 where: bonds (distance) C4'-P energy: -91.655 bonds (distance) P-C4' energy: -100.478 flat angles C4'-P-C4' energy: -104.321 flat angles P-C4'-P energy: -61.807 tors. eta vs tors. theta energy: -114.907 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: 8, replica: 9 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1416.808493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.808493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.808493 (E_RNA) where: Base-Base interactions energy: -953.779 where: short stacking energy: -385.494 Base-Backbone interact. energy: -1.797 local terms energy: -461.232396 where: bonds (distance) C4'-P energy: -101.361 bonds (distance) P-C4' energy: -101.365 flat angles C4'-P-C4' energy: -93.057 flat angles P-C4'-P energy: -70.076 tors. eta vs tors. theta energy: -95.374 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: 9, replica: 7 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1118.688121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.688121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.688121 (E_RNA) where: Base-Base interactions energy: -733.395 where: short stacking energy: -308.192 Base-Backbone interact. energy: -0.686 local terms energy: -384.607281 where: bonds (distance) C4'-P energy: -87.922 bonds (distance) P-C4' energy: -94.871 flat angles C4'-P-C4' energy: -89.518 flat angles P-C4'-P energy: -52.809 tors. eta vs tors. theta energy: -59.486 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: 10, replica: 10 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -1126.495282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.495282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.495282 (E_RNA) where: Base-Base interactions energy: -737.473 where: short stacking energy: -320.661 Base-Backbone interact. energy: 0.531 local terms energy: -389.552752 where: bonds (distance) C4'-P energy: -81.346 bonds (distance) P-C4' energy: -100.365 flat angles C4'-P-C4' energy: -94.170 flat angles P-C4'-P energy: -47.362 tors. eta vs tors. theta energy: -66.310 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: 1, replica: 8 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1912.963553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.963553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.963553 (E_RNA) where: Base-Base interactions energy: -1340.092 where: short stacking energy: -541.662 Base-Backbone interact. energy: 1.263 local terms energy: -574.133785 where: bonds (distance) C4'-P energy: -100.617 bonds (distance) P-C4' energy: -114.539 flat angles C4'-P-C4' energy: -114.783 flat angles P-C4'-P energy: -87.275 tors. eta vs tors. theta energy: -156.920 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: 2, replica: 3 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1838.097493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.097493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.097493 (E_RNA) where: Base-Base interactions energy: -1268.741 where: short stacking energy: -552.996 Base-Backbone interact. energy: -3.005 local terms energy: -566.351196 where: bonds (distance) C4'-P energy: -96.704 bonds (distance) P-C4' energy: -115.765 flat angles C4'-P-C4' energy: -118.528 flat angles P-C4'-P energy: -84.008 tors. eta vs tors. theta energy: -151.346 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: 3, replica: 4 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1799.637391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.637391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.637391 (E_RNA) where: Base-Base interactions energy: -1261.566 where: short stacking energy: -529.892 Base-Backbone interact. energy: -1.641 local terms energy: -536.430240 where: bonds (distance) C4'-P energy: -84.810 bonds (distance) P-C4' energy: -109.399 flat angles C4'-P-C4' energy: -115.264 flat angles P-C4'-P energy: -82.390 tors. eta vs tors. theta energy: -144.566 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: 2 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1757.682898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.682898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.682898 (E_RNA) where: Base-Base interactions energy: -1208.386 where: short stacking energy: -501.164 Base-Backbone interact. energy: 0.062 local terms energy: -549.359526 where: bonds (distance) C4'-P energy: -102.058 bonds (distance) P-C4' energy: -114.434 flat angles C4'-P-C4' energy: -107.841 flat angles P-C4'-P energy: -74.908 tors. eta vs tors. theta energy: -150.118 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: 5, replica: 1 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1704.510245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.510245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.510245 (E_RNA) where: Base-Base interactions energy: -1185.977 where: short stacking energy: -473.073 Base-Backbone interact. energy: -1.370 local terms energy: -517.163534 where: bonds (distance) C4'-P energy: -96.030 bonds (distance) P-C4' energy: -107.291 flat angles C4'-P-C4' energy: -111.615 flat angles P-C4'-P energy: -77.887 tors. eta vs tors. theta energy: -124.341 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: 6 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1636.320426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.320426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.320426 (E_RNA) where: Base-Base interactions energy: -1141.667 where: short stacking energy: -474.606 Base-Backbone interact. energy: -1.337 local terms energy: -493.315974 where: bonds (distance) C4'-P energy: -80.885 bonds (distance) P-C4' energy: -97.557 flat angles C4'-P-C4' energy: -109.265 flat angles P-C4'-P energy: -63.913 tors. eta vs tors. theta energy: -141.695 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: 5 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1523.884095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.884095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.884095 (E_RNA) where: Base-Base interactions energy: -1039.753 where: short stacking energy: -433.777 Base-Backbone interact. energy: -0.744 local terms energy: -483.387167 where: bonds (distance) C4'-P energy: -80.918 bonds (distance) P-C4' energy: -99.863 flat angles C4'-P-C4' energy: -111.463 flat angles P-C4'-P energy: -72.884 tors. eta vs tors. theta energy: -118.260 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: 9 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1398.253622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.253622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.253622 (E_RNA) where: Base-Base interactions energy: -943.351 where: short stacking energy: -407.031 Base-Backbone interact. energy: 1.263 local terms energy: -456.165776 where: bonds (distance) C4'-P energy: -84.155 bonds (distance) P-C4' energy: -107.543 flat angles C4'-P-C4' energy: -98.535 flat angles P-C4'-P energy: -65.894 tors. eta vs tors. theta energy: -100.039 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: 7 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1127.636273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.636273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.636273 (E_RNA) where: Base-Base interactions energy: -720.883 where: short stacking energy: -327.270 Base-Backbone interact. energy: 1.294 local terms energy: -408.046998 where: bonds (distance) C4'-P energy: -80.325 bonds (distance) P-C4' energy: -110.610 flat angles C4'-P-C4' energy: -98.879 flat angles P-C4'-P energy: -65.739 tors. eta vs tors. theta energy: -52.494 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: 10, replica: 10 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -1105.918089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.918089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.918089 (E_RNA) where: Base-Base interactions energy: -723.631 where: short stacking energy: -305.287 Base-Backbone interact. energy: 5.581 local terms energy: -387.868000 where: bonds (distance) C4'-P energy: -84.553 bonds (distance) P-C4' energy: -100.369 flat angles C4'-P-C4' energy: -86.762 flat angles P-C4'-P energy: -60.854 tors. eta vs tors. theta energy: -55.331 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: 1, replica: 8 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1923.394964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.394964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.394964 (E_RNA) where: Base-Base interactions energy: -1337.618 where: short stacking energy: -550.902 Base-Backbone interact. energy: -0.918 local terms energy: -584.858408 where: bonds (distance) C4'-P energy: -100.806 bonds (distance) P-C4' energy: -119.784 flat angles C4'-P-C4' energy: -123.525 flat angles P-C4'-P energy: -80.797 tors. eta vs tors. theta energy: -159.945 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: 3 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1851.288364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.288364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.288364 (E_RNA) where: Base-Base interactions energy: -1286.093 where: short stacking energy: -520.222 Base-Backbone interact. energy: 0.118 local terms energy: -565.313163 where: bonds (distance) C4'-P energy: -99.679 bonds (distance) P-C4' energy: -118.742 flat angles C4'-P-C4' energy: -119.316 flat angles P-C4'-P energy: -80.475 tors. eta vs tors. theta energy: -147.101 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: 3, replica: 4 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1776.226011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.226011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.226011 (E_RNA) where: Base-Base interactions energy: -1255.872 where: short stacking energy: -511.751 Base-Backbone interact. energy: 9.957 local terms energy: -530.311346 where: bonds (distance) C4'-P energy: -82.160 bonds (distance) P-C4' energy: -110.142 flat angles C4'-P-C4' energy: -117.255 flat angles P-C4'-P energy: -78.457 tors. eta vs tors. theta energy: -142.297 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: 4, replica: 2 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1742.312026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.312026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.312026 (E_RNA) where: Base-Base interactions energy: -1205.548 where: short stacking energy: -518.103 Base-Backbone interact. energy: -0.677 local terms energy: -536.086638 where: bonds (distance) C4'-P energy: -83.813 bonds (distance) P-C4' energy: -117.584 flat angles C4'-P-C4' energy: -106.390 flat angles P-C4'-P energy: -81.722 tors. eta vs tors. theta energy: -146.577 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: 5, replica: 1 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1743.357747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.357747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.357747 (E_RNA) where: Base-Base interactions energy: -1223.092 where: short stacking energy: -509.255 Base-Backbone interact. energy: 1.909 local terms energy: -522.175091 where: bonds (distance) C4'-P energy: -92.695 bonds (distance) P-C4' energy: -103.388 flat angles C4'-P-C4' energy: -106.990 flat angles P-C4'-P energy: -71.632 tors. eta vs tors. theta energy: -147.471 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: 6, replica: 6 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1615.526179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.526179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.526179 (E_RNA) where: Base-Base interactions energy: -1120.581 where: short stacking energy: -458.757 Base-Backbone interact. energy: -2.419 local terms energy: -492.526644 where: bonds (distance) C4'-P energy: -93.072 bonds (distance) P-C4' energy: -106.002 flat angles C4'-P-C4' energy: -101.127 flat angles P-C4'-P energy: -60.937 tors. eta vs tors. theta energy: -131.388 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: 7, replica: 5 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1505.781349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.781349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.781349 (E_RNA) where: Base-Base interactions energy: -1040.435 where: short stacking energy: -425.850 Base-Backbone interact. energy: 0.388 local terms energy: -465.734740 where: bonds (distance) C4'-P energy: -75.399 bonds (distance) P-C4' energy: -95.880 flat angles C4'-P-C4' energy: -111.486 flat angles P-C4'-P energy: -68.825 tors. eta vs tors. theta energy: -114.145 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: 8, replica: 9 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1387.220843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.220843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.220843 (E_RNA) where: Base-Base interactions energy: -930.616 where: short stacking energy: -396.810 Base-Backbone interact. energy: 0.863 local terms energy: -457.467282 where: bonds (distance) C4'-P energy: -83.364 bonds (distance) P-C4' energy: -114.092 flat angles C4'-P-C4' energy: -93.070 flat angles P-C4'-P energy: -73.522 tors. eta vs tors. theta energy: -93.419 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: 9, replica: 10 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1149.608880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.608880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.608880 (E_RNA) where: Base-Base interactions energy: -750.200 where: short stacking energy: -352.859 Base-Backbone interact. energy: 10.178 local terms energy: -409.586609 where: bonds (distance) C4'-P energy: -93.054 bonds (distance) P-C4' energy: -93.344 flat angles C4'-P-C4' energy: -91.810 flat angles P-C4'-P energy: -57.293 tors. eta vs tors. theta energy: -74.086 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: 10, replica: 7 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -1129.869898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.869898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.869898 (E_RNA) where: Base-Base interactions energy: -714.674 where: short stacking energy: -329.905 Base-Backbone interact. energy: -1.678 local terms energy: -413.518040 where: bonds (distance) C4'-P energy: -84.947 bonds (distance) P-C4' energy: -97.301 flat angles C4'-P-C4' energy: -85.294 flat angles P-C4'-P energy: -72.704 tors. eta vs tors. theta energy: -73.271 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: 1, replica: 8 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1901.842854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.842854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.842854 (E_RNA) where: Base-Base interactions energy: -1340.844 where: short stacking energy: -544.723 Base-Backbone interact. energy: -0.236 local terms energy: -560.763179 where: bonds (distance) C4'-P energy: -93.479 bonds (distance) P-C4' energy: -112.349 flat angles C4'-P-C4' energy: -119.194 flat angles P-C4'-P energy: -78.755 tors. eta vs tors. theta energy: -156.986 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: 2, replica: 4 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1832.757826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.757826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.757826 (E_RNA) where: Base-Base interactions energy: -1296.040 where: short stacking energy: -537.648 Base-Backbone interact. energy: 0.228 local terms energy: -536.946534 where: bonds (distance) C4'-P energy: -90.902 bonds (distance) P-C4' energy: -111.238 flat angles C4'-P-C4' energy: -113.958 flat angles P-C4'-P energy: -66.591 tors. eta vs tors. theta energy: -154.258 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: 3, replica: 3 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1843.758333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.758333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.758333 (E_RNA) where: Base-Base interactions energy: -1302.021 where: short stacking energy: -528.144 Base-Backbone interact. energy: 3.526 local terms energy: -545.263267 where: bonds (distance) C4'-P energy: -91.820 bonds (distance) P-C4' energy: -114.478 flat angles C4'-P-C4' energy: -111.394 flat angles P-C4'-P energy: -77.341 tors. eta vs tors. theta energy: -150.231 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: 2 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1738.188949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.188949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.188949 (E_RNA) where: Base-Base interactions energy: -1207.933 where: short stacking energy: -504.216 Base-Backbone interact. energy: 1.822 local terms energy: -532.077760 where: bonds (distance) C4'-P energy: -99.183 bonds (distance) P-C4' energy: -104.966 flat angles C4'-P-C4' energy: -112.538 flat angles P-C4'-P energy: -68.376 tors. eta vs tors. theta energy: -147.015 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: 5, replica: 1 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1696.756436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.756436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.756436 (E_RNA) where: Base-Base interactions energy: -1203.041 where: short stacking energy: -489.248 Base-Backbone interact. energy: -0.970 local terms energy: -492.745237 where: bonds (distance) C4'-P energy: -89.751 bonds (distance) P-C4' energy: -98.357 flat angles C4'-P-C4' energy: -108.471 flat angles P-C4'-P energy: -64.927 tors. eta vs tors. theta energy: -131.239 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: 6 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1677.683225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.683225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.683225 (E_RNA) where: Base-Base interactions energy: -1180.360 where: short stacking energy: -508.865 Base-Backbone interact. energy: -0.691 local terms energy: -496.632312 where: bonds (distance) C4'-P energy: -76.939 bonds (distance) P-C4' energy: -100.474 flat angles C4'-P-C4' energy: -106.356 flat angles P-C4'-P energy: -66.817 tors. eta vs tors. theta energy: -146.047 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: 7, replica: 5 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1549.215930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.215930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.215930 (E_RNA) where: Base-Base interactions energy: -1057.679 where: short stacking energy: -437.162 Base-Backbone interact. energy: -0.706 local terms energy: -490.830602 where: bonds (distance) C4'-P energy: -85.359 bonds (distance) P-C4' energy: -110.386 flat angles C4'-P-C4' energy: -104.142 flat angles P-C4'-P energy: -72.938 tors. eta vs tors. theta energy: -118.006 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: 8, replica: 9 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1388.201664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.201664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.201664 (E_RNA) where: Base-Base interactions energy: -956.191 where: short stacking energy: -408.197 Base-Backbone interact. energy: -0.599 local terms energy: -431.411389 where: bonds (distance) C4'-P energy: -82.321 bonds (distance) P-C4' energy: -91.685 flat angles C4'-P-C4' energy: -94.918 flat angles P-C4'-P energy: -60.782 tors. eta vs tors. theta energy: -101.706 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: 9, replica: 10 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1124.446325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.446325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.446325 (E_RNA) where: Base-Base interactions energy: -716.708 where: short stacking energy: -328.301 Base-Backbone interact. energy: -0.306 local terms energy: -407.432823 where: bonds (distance) C4'-P energy: -90.652 bonds (distance) P-C4' energy: -89.520 flat angles C4'-P-C4' energy: -85.873 flat angles P-C4'-P energy: -69.461 tors. eta vs tors. theta energy: -71.926 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: 10, replica: 7 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -1107.252828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.252828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.252828 (E_RNA) where: Base-Base interactions energy: -716.595 where: short stacking energy: -321.345 Base-Backbone interact. energy: -0.441 local terms energy: -390.216705 where: bonds (distance) C4'-P energy: -77.175 bonds (distance) P-C4' energy: -100.163 flat angles C4'-P-C4' energy: -93.452 flat angles P-C4'-P energy: -58.271 tors. eta vs tors. theta energy: -61.155 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: 1, replica: 8 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1910.897989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.897989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.897989 (E_RNA) where: Base-Base interactions energy: -1328.811 where: short stacking energy: -560.761 Base-Backbone interact. energy: 4.543 local terms energy: -586.629648 where: bonds (distance) C4'-P energy: -107.588 bonds (distance) P-C4' energy: -119.355 flat angles C4'-P-C4' energy: -121.285 flat angles P-C4'-P energy: -83.713 tors. eta vs tors. theta energy: -154.689 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: 4 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1852.782260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.782260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.782260 (E_RNA) where: Base-Base interactions energy: -1299.888 where: short stacking energy: -540.671 Base-Backbone interact. energy: -1.814 local terms energy: -551.080248 where: bonds (distance) C4'-P energy: -92.121 bonds (distance) P-C4' energy: -105.826 flat angles C4'-P-C4' energy: -119.335 flat angles P-C4'-P energy: -78.659 tors. eta vs tors. theta energy: -155.139 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: 3 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1787.422554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.422554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.422554 (E_RNA) where: Base-Base interactions energy: -1246.650 where: short stacking energy: -505.757 Base-Backbone interact. energy: 0.651 local terms energy: -541.423004 where: bonds (distance) C4'-P energy: -96.173 bonds (distance) P-C4' energy: -104.747 flat angles C4'-P-C4' energy: -113.314 flat angles P-C4'-P energy: -79.177 tors. eta vs tors. theta energy: -148.012 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: 2 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1734.872519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.872519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.872519 (E_RNA) where: Base-Base interactions energy: -1223.102 where: short stacking energy: -517.808 Base-Backbone interact. energy: 7.017 local terms energy: -518.787769 where: bonds (distance) C4'-P energy: -95.100 bonds (distance) P-C4' energy: -104.980 flat angles C4'-P-C4' energy: -109.211 flat angles P-C4'-P energy: -70.362 tors. eta vs tors. theta energy: -139.134 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: 5, replica: 1 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1708.071528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.071528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.071528 (E_RNA) where: Base-Base interactions energy: -1192.811 where: short stacking energy: -490.526 Base-Backbone interact. energy: 1.928 local terms energy: -517.188399 where: bonds (distance) C4'-P energy: -102.389 bonds (distance) P-C4' energy: -99.431 flat angles C4'-P-C4' energy: -112.947 flat angles P-C4'-P energy: -70.580 tors. eta vs tors. theta energy: -131.842 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: 6 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1607.701646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.701646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.701646 (E_RNA) where: Base-Base interactions energy: -1105.958 where: short stacking energy: -452.015 Base-Backbone interact. energy: -2.052 local terms energy: -499.692343 where: bonds (distance) C4'-P energy: -83.667 bonds (distance) P-C4' energy: -114.441 flat angles C4'-P-C4' energy: -108.612 flat angles P-C4'-P energy: -71.370 tors. eta vs tors. theta energy: -121.602 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: 7, replica: 5 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1549.983774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.983774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.983774 (E_RNA) where: Base-Base interactions energy: -1076.480 where: short stacking energy: -445.901 Base-Backbone interact. energy: 0.105 local terms energy: -473.608120 where: bonds (distance) C4'-P energy: -85.353 bonds (distance) P-C4' energy: -93.197 flat angles C4'-P-C4' energy: -100.091 flat angles P-C4'-P energy: -79.961 tors. eta vs tors. theta energy: -115.007 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: 8, replica: 9 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1390.880121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.880121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.880121 (E_RNA) where: Base-Base interactions energy: -945.546 where: short stacking energy: -400.730 Base-Backbone interact. energy: 2.431 local terms energy: -447.765344 where: bonds (distance) C4'-P energy: -82.764 bonds (distance) P-C4' energy: -97.247 flat angles C4'-P-C4' energy: -101.975 flat angles P-C4'-P energy: -72.428 tors. eta vs tors. theta energy: -93.351 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: 7 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1172.348762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.348762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.348762 (E_RNA) where: Base-Base interactions energy: -780.189 where: short stacking energy: -334.424 Base-Backbone interact. energy: -0.148 local terms energy: -392.012099 where: bonds (distance) C4'-P energy: -92.234 bonds (distance) P-C4' energy: -90.393 flat angles C4'-P-C4' energy: -77.691 flat angles P-C4'-P energy: -58.022 tors. eta vs tors. theta energy: -73.672 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: 10, replica: 10 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -1118.006753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.006753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.006753 (E_RNA) where: Base-Base interactions energy: -707.210 where: short stacking energy: -328.171 Base-Backbone interact. energy: 3.316 local terms energy: -414.112972 where: bonds (distance) C4'-P energy: -91.263 bonds (distance) P-C4' energy: -108.184 flat angles C4'-P-C4' energy: -82.060 flat angles P-C4'-P energy: -62.876 tors. eta vs tors. theta energy: -69.730 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: 1, replica: 8 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1913.449629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.449629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.449629 (E_RNA) where: Base-Base interactions energy: -1333.164 where: short stacking energy: -542.638 Base-Backbone interact. energy: -2.581 local terms energy: -577.704438 where: bonds (distance) C4'-P energy: -105.622 bonds (distance) P-C4' energy: -116.430 flat angles C4'-P-C4' energy: -122.948 flat angles P-C4'-P energy: -76.478 tors. eta vs tors. theta energy: -156.226 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: 4 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1865.691283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.691283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.691283 (E_RNA) where: Base-Base interactions energy: -1299.893 where: short stacking energy: -559.029 Base-Backbone interact. energy: 3.823 local terms energy: -569.621291 where: bonds (distance) C4'-P energy: -100.127 bonds (distance) P-C4' energy: -107.566 flat angles C4'-P-C4' energy: -122.670 flat angles P-C4'-P energy: -80.859 tors. eta vs tors. theta energy: -158.399 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: 3, replica: 3 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1819.228102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.228102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.228102 (E_RNA) where: Base-Base interactions energy: -1267.530 where: short stacking energy: -525.113 Base-Backbone interact. energy: 3.042 local terms energy: -554.740300 where: bonds (distance) C4'-P energy: -95.911 bonds (distance) P-C4' energy: -113.346 flat angles C4'-P-C4' energy: -116.117 flat angles P-C4'-P energy: -84.365 tors. eta vs tors. theta energy: -145.002 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: 4, replica: 2 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1727.416917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.416917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.416917 (E_RNA) where: Base-Base interactions energy: -1207.314 where: short stacking energy: -498.426 Base-Backbone interact. energy: 1.551 local terms energy: -521.654186 where: bonds (distance) C4'-P energy: -93.025 bonds (distance) P-C4' energy: -110.968 flat angles C4'-P-C4' energy: -109.186 flat angles P-C4'-P energy: -78.009 tors. eta vs tors. theta energy: -130.465 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: 1 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1695.119158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.119158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.119158 (E_RNA) where: Base-Base interactions energy: -1164.977 where: short stacking energy: -482.138 Base-Backbone interact. energy: -0.149 local terms energy: -529.992845 where: bonds (distance) C4'-P energy: -93.057 bonds (distance) P-C4' energy: -125.211 flat angles C4'-P-C4' energy: -116.981 flat angles P-C4'-P energy: -73.051 tors. eta vs tors. theta energy: -121.692 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: 6, replica: 6 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1616.268839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.268839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.268839 (E_RNA) where: Base-Base interactions energy: -1117.373 where: short stacking energy: -452.328 Base-Backbone interact. energy: 4.429 local terms energy: -503.324220 where: bonds (distance) C4'-P energy: -99.005 bonds (distance) P-C4' energy: -101.061 flat angles C4'-P-C4' energy: -99.242 flat angles P-C4'-P energy: -70.860 tors. eta vs tors. theta energy: -133.156 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: 5 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1529.849842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.849842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.849842 (E_RNA) where: Base-Base interactions energy: -1051.457 where: short stacking energy: -443.946 Base-Backbone interact. energy: 0.532 local terms energy: -478.925162 where: bonds (distance) C4'-P energy: -85.710 bonds (distance) P-C4' energy: -102.310 flat angles C4'-P-C4' energy: -104.984 flat angles P-C4'-P energy: -65.288 tors. eta vs tors. theta energy: -120.633 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: 7 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1258.102228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.102228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.102228 (E_RNA) where: Base-Base interactions energy: -853.383 where: short stacking energy: -374.469 Base-Backbone interact. energy: -1.500 local terms energy: -403.218532 where: bonds (distance) C4'-P energy: -76.040 bonds (distance) P-C4' energy: -102.885 flat angles C4'-P-C4' energy: -81.545 flat angles P-C4'-P energy: -66.207 tors. eta vs tors. theta energy: -76.541 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: 9, replica: 9 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1373.411312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.411312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.411312 (E_RNA) where: Base-Base interactions energy: -930.897 where: short stacking energy: -387.691 Base-Backbone interact. energy: 3.738 local terms energy: -446.251729 where: bonds (distance) C4'-P energy: -84.640 bonds (distance) P-C4' energy: -101.414 flat angles C4'-P-C4' energy: -91.422 flat angles P-C4'-P energy: -66.093 tors. eta vs tors. theta energy: -102.683 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: 10, replica: 10 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -1128.984972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.984972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.984972 (E_RNA) where: Base-Base interactions energy: -733.311 where: short stacking energy: -322.055 Base-Backbone interact. energy: -1.783 local terms energy: -393.891597 where: bonds (distance) C4'-P energy: -69.580 bonds (distance) P-C4' energy: -97.608 flat angles C4'-P-C4' energy: -98.701 flat angles P-C4'-P energy: -66.006 tors. eta vs tors. theta energy: -61.997 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: 1, replica: 8 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1941.611544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.611544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.611544 (E_RNA) where: Base-Base interactions energy: -1365.390 where: short stacking energy: -557.877 Base-Backbone interact. energy: 2.429 local terms energy: -578.650630 where: bonds (distance) C4'-P energy: -102.661 bonds (distance) P-C4' energy: -122.767 flat angles C4'-P-C4' energy: -116.919 flat angles P-C4'-P energy: -83.001 tors. eta vs tors. theta energy: -153.303 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: 2, replica: 4 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1850.208737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.208737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.208737 (E_RNA) where: Base-Base interactions energy: -1298.439 where: short stacking energy: -531.339 Base-Backbone interact. energy: 0.694 local terms energy: -552.463769 where: bonds (distance) C4'-P energy: -100.790 bonds (distance) P-C4' energy: -103.338 flat angles C4'-P-C4' energy: -119.817 flat angles P-C4'-P energy: -76.580 tors. eta vs tors. theta energy: -151.939 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: 3, replica: 3 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1821.799455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.799455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.799455 (E_RNA) where: Base-Base interactions energy: -1274.446 where: short stacking energy: -526.133 Base-Backbone interact. energy: 4.165 local terms energy: -551.518686 where: bonds (distance) C4'-P energy: -93.988 bonds (distance) P-C4' energy: -106.052 flat angles C4'-P-C4' energy: -112.827 flat angles P-C4'-P energy: -86.704 tors. eta vs tors. theta energy: -151.948 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: 4, replica: 2 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1737.886887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.886887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.886887 (E_RNA) where: Base-Base interactions energy: -1193.869 where: short stacking energy: -491.134 Base-Backbone interact. energy: -0.383 local terms energy: -543.634697 where: bonds (distance) C4'-P energy: -100.777 bonds (distance) P-C4' energy: -113.891 flat angles C4'-P-C4' energy: -111.843 flat angles P-C4'-P energy: -74.884 tors. eta vs tors. theta energy: -142.241 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: 5, replica: 1 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1734.249045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.249045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.249045 (E_RNA) where: Base-Base interactions energy: -1217.794 where: short stacking energy: -500.928 Base-Backbone interact. energy: 2.132 local terms energy: -518.586503 where: bonds (distance) C4'-P energy: -97.625 bonds (distance) P-C4' energy: -108.567 flat angles C4'-P-C4' energy: -99.898 flat angles P-C4'-P energy: -68.501 tors. eta vs tors. theta energy: -143.996 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: 6, replica: 6 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1648.802551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.802551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.802551 (E_RNA) where: Base-Base interactions energy: -1147.357 where: short stacking energy: -476.245 Base-Backbone interact. energy: 0.962 local terms energy: -502.406997 where: bonds (distance) C4'-P energy: -86.673 bonds (distance) P-C4' energy: -93.688 flat angles C4'-P-C4' energy: -109.558 flat angles P-C4'-P energy: -76.860 tors. eta vs tors. theta energy: -135.629 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: 7, replica: 5 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1578.019367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.019367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.019367 (E_RNA) where: Base-Base interactions energy: -1102.493 where: short stacking energy: -448.140 Base-Backbone interact. energy: -0.641 local terms energy: -474.885358 where: bonds (distance) C4'-P energy: -87.805 bonds (distance) P-C4' energy: -96.072 flat angles C4'-P-C4' energy: -96.102 flat angles P-C4'-P energy: -72.650 tors. eta vs tors. theta energy: -122.256 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: 7 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1228.875994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.875994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.875994 (E_RNA) where: Base-Base interactions energy: -786.405 where: short stacking energy: -336.799 Base-Backbone interact. energy: -1.867 local terms energy: -440.603703 where: bonds (distance) C4'-P energy: -99.227 bonds (distance) P-C4' energy: -99.232 flat angles C4'-P-C4' energy: -100.704 flat angles P-C4'-P energy: -74.049 tors. eta vs tors. theta energy: -67.392 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: 9, replica: 9 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -1360.561736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.561736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.561736 (E_RNA) where: Base-Base interactions energy: -942.094 where: short stacking energy: -394.392 Base-Backbone interact. energy: 2.435 local terms energy: -420.903176 where: bonds (distance) C4'-P energy: -78.796 bonds (distance) P-C4' energy: -93.813 flat angles C4'-P-C4' energy: -97.445 flat angles P-C4'-P energy: -58.309 tors. eta vs tors. theta energy: -92.539 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: 10, replica: 10 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -1117.384444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.384444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.384444 (E_RNA) where: Base-Base interactions energy: -725.231 where: short stacking energy: -322.996 Base-Backbone interact. energy: -0.981 local terms energy: -391.173269 where: bonds (distance) C4'-P energy: -87.773 bonds (distance) P-C4' energy: -99.236 flat angles C4'-P-C4' energy: -86.605 flat angles P-C4'-P energy: -49.877 tors. eta vs tors. theta energy: -67.683 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: 1, replica: 8 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1906.945500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.945500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.945500 (E_RNA) where: Base-Base interactions energy: -1328.385 where: short stacking energy: -552.970 Base-Backbone interact. energy: 0.685 local terms energy: -579.245502 where: bonds (distance) C4'-P energy: -103.379 bonds (distance) P-C4' energy: -117.619 flat angles C4'-P-C4' energy: -117.865 flat angles P-C4'-P energy: -78.792 tors. eta vs tors. theta energy: -161.590 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: 2, replica: 4 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1845.453180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.453180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.453180 (E_RNA) where: Base-Base interactions energy: -1285.152 where: short stacking energy: -533.995 Base-Backbone interact. energy: -2.471 local terms energy: -557.829855 where: bonds (distance) C4'-P energy: -95.763 bonds (distance) P-C4' energy: -112.563 flat angles C4'-P-C4' energy: -118.096 flat angles P-C4'-P energy: -78.138 tors. eta vs tors. theta energy: -153.270 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: 3, replica: 3 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1835.968208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.968208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.968208 (E_RNA) where: Base-Base interactions energy: -1275.781 where: short stacking energy: -551.730 Base-Backbone interact. energy: -1.036 local terms energy: -559.151362 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -112.326 flat angles C4'-P-C4' energy: -116.545 flat angles P-C4'-P energy: -78.720 tors. eta vs tors. theta energy: -154.401 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: 1 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1761.487936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.487936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.487936 (E_RNA) where: Base-Base interactions energy: -1230.843 where: short stacking energy: -516.016 Base-Backbone interact. energy: -1.128 local terms energy: -529.517118 where: bonds (distance) C4'-P energy: -98.625 bonds (distance) P-C4' energy: -102.674 flat angles C4'-P-C4' energy: -115.095 flat angles P-C4'-P energy: -71.892 tors. eta vs tors. theta energy: -141.231 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: 5, replica: 2 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1754.149300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.149300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.149300 (E_RNA) where: Base-Base interactions energy: -1212.437 where: short stacking energy: -512.434 Base-Backbone interact. energy: -1.532 local terms energy: -540.180194 where: bonds (distance) C4'-P energy: -86.837 bonds (distance) P-C4' energy: -109.116 flat angles C4'-P-C4' energy: -119.474 flat angles P-C4'-P energy: -75.870 tors. eta vs tors. theta energy: -148.882 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: 6, replica: 6 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1666.064787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.064787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.064787 (E_RNA) where: Base-Base interactions energy: -1173.405 where: short stacking energy: -496.384 Base-Backbone interact. energy: 1.455 local terms energy: -494.114762 where: bonds (distance) C4'-P energy: -80.901 bonds (distance) P-C4' energy: -101.307 flat angles C4'-P-C4' energy: -106.483 flat angles P-C4'-P energy: -60.696 tors. eta vs tors. theta energy: -144.729 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: 5 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1550.081154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.081154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.081154 (E_RNA) where: Base-Base interactions energy: -1081.833 where: short stacking energy: -453.218 Base-Backbone interact. energy: 0.042 local terms energy: -468.290721 where: bonds (distance) C4'-P energy: -84.732 bonds (distance) P-C4' energy: -98.163 flat angles C4'-P-C4' energy: -102.032 flat angles P-C4'-P energy: -58.487 tors. eta vs tors. theta energy: -124.875 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: 8, replica: 9 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1405.777116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.777116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.777116 (E_RNA) where: Base-Base interactions energy: -957.447 where: short stacking energy: -400.609 Base-Backbone interact. energy: 3.208 local terms energy: -451.538703 where: bonds (distance) C4'-P energy: -85.214 bonds (distance) P-C4' energy: -106.312 flat angles C4'-P-C4' energy: -92.851 flat angles P-C4'-P energy: -70.678 tors. eta vs tors. theta energy: -96.483 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: 9, replica: 7 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1194.834422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.834422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.834422 (E_RNA) where: Base-Base interactions energy: -794.758 where: short stacking energy: -329.288 Base-Backbone interact. energy: 1.808 local terms energy: -401.884411 where: bonds (distance) C4'-P energy: -88.549 bonds (distance) P-C4' energy: -102.413 flat angles C4'-P-C4' energy: -85.950 flat angles P-C4'-P energy: -62.536 tors. eta vs tors. theta energy: -62.436 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: 10, replica: 10 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -1109.221520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.221520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.221520 (E_RNA) where: Base-Base interactions energy: -710.388 where: short stacking energy: -331.235 Base-Backbone interact. energy: -0.179 local terms energy: -398.654333 where: bonds (distance) C4'-P energy: -78.487 bonds (distance) P-C4' energy: -98.999 flat angles C4'-P-C4' energy: -94.258 flat angles P-C4'-P energy: -60.753 tors. eta vs tors. theta energy: -66.157 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: 8 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1910.543110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.543110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.543110 (E_RNA) where: Base-Base interactions energy: -1339.333 where: short stacking energy: -547.978 Base-Backbone interact. energy: 3.263 local terms energy: -574.472689 where: bonds (distance) C4'-P energy: -102.713 bonds (distance) P-C4' energy: -112.303 flat angles C4'-P-C4' energy: -121.096 flat angles P-C4'-P energy: -81.238 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: 2, replica: 4 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1826.831090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.831090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.831090 (E_RNA) where: Base-Base interactions energy: -1287.135 where: short stacking energy: -529.048 Base-Backbone interact. energy: 0.161 local terms energy: -539.857074 where: bonds (distance) C4'-P energy: -89.519 bonds (distance) P-C4' energy: -113.658 flat angles C4'-P-C4' energy: -110.588 flat angles P-C4'-P energy: -72.427 tors. eta vs tors. theta energy: -153.666 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: 3 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1816.184970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.184970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.184970 (E_RNA) where: Base-Base interactions energy: -1265.896 where: short stacking energy: -531.423 Base-Backbone interact. energy: 1.327 local terms energy: -551.615318 where: bonds (distance) C4'-P energy: -94.981 bonds (distance) P-C4' energy: -96.135 flat angles C4'-P-C4' energy: -116.719 flat angles P-C4'-P energy: -89.629 tors. eta vs tors. theta energy: -154.152 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: 1 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1766.156073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.156073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.156073 (E_RNA) where: Base-Base interactions energy: -1237.393 where: short stacking energy: -510.552 Base-Backbone interact. energy: 1.387 local terms energy: -530.150912 where: bonds (distance) C4'-P energy: -89.437 bonds (distance) P-C4' energy: -110.453 flat angles C4'-P-C4' energy: -113.817 flat angles P-C4'-P energy: -73.454 tors. eta vs tors. theta energy: -142.990 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: 5, replica: 6 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1684.976013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.976013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.976013 (E_RNA) where: Base-Base interactions energy: -1184.412 where: short stacking energy: -506.098 Base-Backbone interact. energy: 2.373 local terms energy: -502.936831 where: bonds (distance) C4'-P energy: -70.790 bonds (distance) P-C4' energy: -105.370 flat angles C4'-P-C4' energy: -112.131 flat angles P-C4'-P energy: -76.782 tors. eta vs tors. theta energy: -137.864 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: 6, replica: 2 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1715.814291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.814291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.814291 (E_RNA) where: Base-Base interactions energy: -1212.768 where: short stacking energy: -482.623 Base-Backbone interact. energy: -1.394 local terms energy: -501.653187 where: bonds (distance) C4'-P energy: -91.059 bonds (distance) P-C4' energy: -104.585 flat angles C4'-P-C4' energy: -101.502 flat angles P-C4'-P energy: -68.736 tors. eta vs tors. theta energy: -135.772 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: 7, replica: 5 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1575.403592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.403592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.403592 (E_RNA) where: Base-Base interactions energy: -1084.452 where: short stacking energy: -452.469 Base-Backbone interact. energy: 2.786 local terms energy: -493.737507 where: bonds (distance) C4'-P energy: -94.131 bonds (distance) P-C4' energy: -105.017 flat angles C4'-P-C4' energy: -100.677 flat angles P-C4'-P energy: -70.194 tors. eta vs tors. theta energy: -123.718 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: 9 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1380.522078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.522078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.522078 (E_RNA) where: Base-Base interactions energy: -943.760 where: short stacking energy: -388.299 Base-Backbone interact. energy: 2.117 local terms energy: -438.879277 where: bonds (distance) C4'-P energy: -95.384 bonds (distance) P-C4' energy: -102.954 flat angles C4'-P-C4' energy: -95.696 flat angles P-C4'-P energy: -64.347 tors. eta vs tors. theta energy: -80.499 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: 9, replica: 7 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -1172.915063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.915063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.915063 (E_RNA) where: Base-Base interactions energy: -758.038 where: short stacking energy: -325.358 Base-Backbone interact. energy: 1.352 local terms energy: -416.229505 where: bonds (distance) C4'-P energy: -90.039 bonds (distance) P-C4' energy: -107.336 flat angles C4'-P-C4' energy: -92.154 flat angles P-C4'-P energy: -53.607 tors. eta vs tors. theta energy: -73.092 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: 10, replica: 10 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -1123.752775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.752775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.752775 (E_RNA) where: Base-Base interactions energy: -715.868 where: short stacking energy: -316.647 Base-Backbone interact. energy: -1.767 local terms energy: -406.117934 where: bonds (distance) C4'-P energy: -94.758 bonds (distance) P-C4' energy: -93.637 flat angles C4'-P-C4' energy: -91.496 flat angles P-C4'-P energy: -65.713 tors. eta vs tors. theta energy: -60.514 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: 8 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1902.906559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.906559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.906559 (E_RNA) where: Base-Base interactions energy: -1332.035 where: short stacking energy: -556.011 Base-Backbone interact. energy: -0.456 local terms energy: -570.415560 where: bonds (distance) C4'-P energy: -98.089 bonds (distance) P-C4' energy: -115.908 flat angles C4'-P-C4' energy: -116.980 flat angles P-C4'-P energy: -83.111 tors. eta vs tors. theta energy: -156.327 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: 2, replica: 3 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1861.687643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.687643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.687643 (E_RNA) where: Base-Base interactions energy: -1291.691 where: short stacking energy: -512.367 Base-Backbone interact. energy: -0.814 local terms energy: -569.182765 where: bonds (distance) C4'-P energy: -102.138 bonds (distance) P-C4' energy: -109.065 flat angles C4'-P-C4' energy: -118.402 flat angles P-C4'-P energy: -89.082 tors. eta vs tors. theta energy: -150.494 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: 3, replica: 4 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1790.890687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.890687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.890687 (E_RNA) where: Base-Base interactions energy: -1262.862 where: short stacking energy: -524.338 Base-Backbone interact. energy: 2.454 local terms energy: -530.482296 where: bonds (distance) C4'-P energy: -92.741 bonds (distance) P-C4' energy: -107.518 flat angles C4'-P-C4' energy: -109.608 flat angles P-C4'-P energy: -76.414 tors. eta vs tors. theta energy: -144.201 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: 1 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1759.230131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.230131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.230131 (E_RNA) where: Base-Base interactions energy: -1246.335 where: short stacking energy: -524.228 Base-Backbone interact. energy: 0.064 local terms energy: -512.959223 where: bonds (distance) C4'-P energy: -79.449 bonds (distance) P-C4' energy: -101.223 flat angles C4'-P-C4' energy: -116.657 flat angles P-C4'-P energy: -66.295 tors. eta vs tors. theta energy: -149.335 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: 5, replica: 6 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1692.431060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.431060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.431060 (E_RNA) where: Base-Base interactions energy: -1185.872 where: short stacking energy: -510.811 Base-Backbone interact. energy: 8.310 local terms energy: -514.869206 where: bonds (distance) C4'-P energy: -93.436 bonds (distance) P-C4' energy: -97.888 flat angles C4'-P-C4' energy: -104.994 flat angles P-C4'-P energy: -83.165 tors. eta vs tors. theta energy: -135.386 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: 6, replica: 2 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1702.553655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.553655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.553655 (E_RNA) where: Base-Base interactions energy: -1193.965 where: short stacking energy: -499.019 Base-Backbone interact. energy: 5.121 local terms energy: -513.709273 where: bonds (distance) C4'-P energy: -91.594 bonds (distance) P-C4' energy: -103.645 flat angles C4'-P-C4' energy: -110.744 flat angles P-C4'-P energy: -63.388 tors. eta vs tors. theta energy: -144.338 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: 5 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1549.215223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.215223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.215223 (E_RNA) where: Base-Base interactions energy: -1074.242 where: short stacking energy: -432.848 Base-Backbone interact. energy: 1.909 local terms energy: -476.882047 where: bonds (distance) C4'-P energy: -87.063 bonds (distance) P-C4' energy: -107.351 flat angles C4'-P-C4' energy: -98.760 flat angles P-C4'-P energy: -77.748 tors. eta vs tors. theta energy: -105.960 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: 8, replica: 9 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1370.865510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.865510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.865510 (E_RNA) where: Base-Base interactions energy: -922.847 where: short stacking energy: -373.185 Base-Backbone interact. energy: 0.087 local terms energy: -448.105933 where: bonds (distance) C4'-P energy: -92.803 bonds (distance) P-C4' energy: -102.419 flat angles C4'-P-C4' energy: -93.514 flat angles P-C4'-P energy: -79.193 tors. eta vs tors. theta energy: -80.177 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: 7 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1173.977754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.977754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.977754 (E_RNA) where: Base-Base interactions energy: -774.974 where: short stacking energy: -327.033 Base-Backbone interact. energy: 0.055 local terms energy: -399.057808 where: bonds (distance) C4'-P energy: -79.313 bonds (distance) P-C4' energy: -100.778 flat angles C4'-P-C4' energy: -90.036 flat angles P-C4'-P energy: -61.180 tors. eta vs tors. theta energy: -67.751 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: 10 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -1115.109260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.109260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.109260 (E_RNA) where: Base-Base interactions energy: -720.092 where: short stacking energy: -340.012 Base-Backbone interact. energy: 0.114 local terms energy: -395.131686 where: bonds (distance) C4'-P energy: -74.976 bonds (distance) P-C4' energy: -105.964 flat angles C4'-P-C4' energy: -78.865 flat angles P-C4'-P energy: -61.194 tors. eta vs tors. theta energy: -74.133 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: 1, replica: 8 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1924.774797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.774797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.774797 (E_RNA) where: Base-Base interactions energy: -1359.014 where: short stacking energy: -557.625 Base-Backbone interact. energy: 2.186 local terms energy: -567.946730 where: bonds (distance) C4'-P energy: -88.465 bonds (distance) P-C4' energy: -113.164 flat angles C4'-P-C4' energy: -118.762 flat angles P-C4'-P energy: -86.517 tors. eta vs tors. theta energy: -161.039 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: 2, replica: 3 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1855.789513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.789513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.789513 (E_RNA) where: Base-Base interactions energy: -1295.520 where: short stacking energy: -525.791 Base-Backbone interact. energy: -2.298 local terms energy: -557.971747 where: bonds (distance) C4'-P energy: -105.478 bonds (distance) P-C4' energy: -114.752 flat angles C4'-P-C4' energy: -106.016 flat angles P-C4'-P energy: -82.837 tors. eta vs tors. theta energy: -148.889 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: 3, replica: 4 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1815.110252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.110252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.110252 (E_RNA) where: Base-Base interactions energy: -1269.822 where: short stacking energy: -501.567 Base-Backbone interact. energy: -0.555 local terms energy: -544.732982 where: bonds (distance) C4'-P energy: -103.369 bonds (distance) P-C4' energy: -109.491 flat angles C4'-P-C4' energy: -109.596 flat angles P-C4'-P energy: -85.460 tors. eta vs tors. theta energy: -136.818 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: 4, replica: 1 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1728.219235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.219235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.219235 (E_RNA) where: Base-Base interactions energy: -1200.261 where: short stacking energy: -483.924 Base-Backbone interact. energy: 1.270 local terms energy: -529.228741 where: bonds (distance) C4'-P energy: -90.139 bonds (distance) P-C4' energy: -110.129 flat angles C4'-P-C4' energy: -115.753 flat angles P-C4'-P energy: -77.638 tors. eta vs tors. theta energy: -135.570 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: 5, replica: 2 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1717.216470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.216470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.216470 (E_RNA) where: Base-Base interactions energy: -1192.845 where: short stacking energy: -499.890 Base-Backbone interact. energy: 0.332 local terms energy: -524.703458 where: bonds (distance) C4'-P energy: -80.208 bonds (distance) P-C4' energy: -107.828 flat angles C4'-P-C4' energy: -117.102 flat angles P-C4'-P energy: -78.083 tors. eta vs tors. theta energy: -141.483 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: 6, replica: 6 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1630.765321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.765321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.765321 (E_RNA) where: Base-Base interactions energy: -1121.228 where: short stacking energy: -479.988 Base-Backbone interact. energy: -0.444 local terms energy: -509.093537 where: bonds (distance) C4'-P energy: -99.032 bonds (distance) P-C4' energy: -111.078 flat angles C4'-P-C4' energy: -106.639 flat angles P-C4'-P energy: -65.491 tors. eta vs tors. theta energy: -126.853 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: 7, replica: 5 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1544.174840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.174840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.174840 (E_RNA) where: Base-Base interactions energy: -1068.933 where: short stacking energy: -436.748 Base-Backbone interact. energy: -1.483 local terms energy: -473.758861 where: bonds (distance) C4'-P energy: -97.142 bonds (distance) P-C4' energy: -100.338 flat angles C4'-P-C4' energy: -103.252 flat angles P-C4'-P energy: -66.508 tors. eta vs tors. theta energy: -106.519 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: 9 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1382.323673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.323673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.323673 (E_RNA) where: Base-Base interactions energy: -951.976 where: short stacking energy: -401.732 Base-Backbone interact. energy: 5.675 local terms energy: -436.022970 where: bonds (distance) C4'-P energy: -81.252 bonds (distance) P-C4' energy: -110.046 flat angles C4'-P-C4' energy: -88.150 flat angles P-C4'-P energy: -66.138 tors. eta vs tors. theta energy: -90.437 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: 9, replica: 7 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1170.883977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.883977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.883977 (E_RNA) where: Base-Base interactions energy: -769.360 where: short stacking energy: -333.858 Base-Backbone interact. energy: 1.857 local terms energy: -403.380418 where: bonds (distance) C4'-P energy: -93.778 bonds (distance) P-C4' energy: -101.412 flat angles C4'-P-C4' energy: -91.450 flat angles P-C4'-P energy: -54.817 tors. eta vs tors. theta energy: -61.923 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: 10, replica: 10 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -1150.049175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.049175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.049175 (E_RNA) where: Base-Base interactions energy: -751.232 where: short stacking energy: -330.528 Base-Backbone interact. energy: 1.962 local terms energy: -400.780048 where: bonds (distance) C4'-P energy: -86.663 bonds (distance) P-C4' energy: -92.603 flat angles C4'-P-C4' energy: -92.434 flat angles P-C4'-P energy: -62.098 tors. eta vs tors. theta energy: -66.982 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: 1, replica: 8 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1935.797905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.797905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.797905 (E_RNA) where: Base-Base interactions energy: -1348.725 where: short stacking energy: -570.349 Base-Backbone interact. energy: 1.569 local terms energy: -588.642078 where: bonds (distance) C4'-P energy: -110.432 bonds (distance) P-C4' energy: -115.500 flat angles C4'-P-C4' energy: -116.793 flat angles P-C4'-P energy: -84.649 tors. eta vs tors. theta energy: -161.269 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: 3 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1869.372573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.372573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.372573 (E_RNA) where: Base-Base interactions energy: -1303.362 where: short stacking energy: -547.660 Base-Backbone interact. energy: -0.668 local terms energy: -565.342868 where: bonds (distance) C4'-P energy: -97.006 bonds (distance) P-C4' energy: -117.923 flat angles C4'-P-C4' energy: -118.423 flat angles P-C4'-P energy: -77.555 tors. eta vs tors. theta energy: -154.436 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: 3, replica: 4 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1831.822031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.822031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.822031 (E_RNA) where: Base-Base interactions energy: -1268.543 where: short stacking energy: -521.237 Base-Backbone interact. energy: 0.284 local terms energy: -563.562107 where: bonds (distance) C4'-P energy: -95.128 bonds (distance) P-C4' energy: -112.946 flat angles C4'-P-C4' energy: -118.529 flat angles P-C4'-P energy: -86.201 tors. eta vs tors. theta energy: -150.758 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: 4, replica: 1 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1793.613555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.613555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.613555 (E_RNA) where: Base-Base interactions energy: -1252.706 where: short stacking energy: -522.920 Base-Backbone interact. energy: 0.468 local terms energy: -541.376190 where: bonds (distance) C4'-P energy: -96.679 bonds (distance) P-C4' energy: -111.478 flat angles C4'-P-C4' energy: -107.971 flat angles P-C4'-P energy: -72.027 tors. eta vs tors. theta energy: -153.222 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: 5, replica: 2 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1730.471134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.471134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.471134 (E_RNA) where: Base-Base interactions energy: -1225.154 where: short stacking energy: -512.186 Base-Backbone interact. energy: 4.977 local terms energy: -510.294049 where: bonds (distance) C4'-P energy: -89.524 bonds (distance) P-C4' energy: -94.659 flat angles C4'-P-C4' energy: -110.750 flat angles P-C4'-P energy: -70.541 tors. eta vs tors. theta energy: -144.820 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: 6 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1643.196431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.196431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.196431 (E_RNA) where: Base-Base interactions energy: -1142.140 where: short stacking energy: -479.352 Base-Backbone interact. energy: 0.939 local terms energy: -501.995228 where: bonds (distance) C4'-P energy: -94.961 bonds (distance) P-C4' energy: -111.127 flat angles C4'-P-C4' energy: -105.708 flat angles P-C4'-P energy: -66.333 tors. eta vs tors. theta energy: -123.867 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: 7, replica: 5 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1569.252327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.252327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.252327 (E_RNA) where: Base-Base interactions energy: -1090.540 where: short stacking energy: -446.024 Base-Backbone interact. energy: -2.340 local terms energy: -476.372510 where: bonds (distance) C4'-P energy: -82.782 bonds (distance) P-C4' energy: -95.380 flat angles C4'-P-C4' energy: -108.941 flat angles P-C4'-P energy: -64.488 tors. eta vs tors. theta energy: -124.781 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: 9 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1358.843152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.843152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.843152 (E_RNA) where: Base-Base interactions energy: -906.371 where: short stacking energy: -382.142 Base-Backbone interact. energy: 0.841 local terms energy: -453.313490 where: bonds (distance) C4'-P energy: -83.989 bonds (distance) P-C4' energy: -99.632 flat angles C4'-P-C4' energy: -99.557 flat angles P-C4'-P energy: -71.247 tors. eta vs tors. theta energy: -98.889 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: 7 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1187.130287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.130287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.130287 (E_RNA) where: Base-Base interactions energy: -786.293 where: short stacking energy: -346.512 Base-Backbone interact. energy: -0.035 local terms energy: -400.801892 where: bonds (distance) C4'-P energy: -83.601 bonds (distance) P-C4' energy: -78.785 flat angles C4'-P-C4' energy: -92.279 flat angles P-C4'-P energy: -52.651 tors. eta vs tors. theta energy: -93.486 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: 10, replica: 10 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -1111.834078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.834078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.834078 (E_RNA) where: Base-Base interactions energy: -725.356 where: short stacking energy: -317.191 Base-Backbone interact. energy: -2.130 local terms energy: -384.348239 where: bonds (distance) C4'-P energy: -90.968 bonds (distance) P-C4' energy: -74.966 flat angles C4'-P-C4' energy: -98.877 flat angles P-C4'-P energy: -59.674 tors. eta vs tors. theta energy: -59.863 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: 1, replica: 3 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1902.020329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.020329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.020329 (E_RNA) where: Base-Base interactions energy: -1335.204 where: short stacking energy: -540.840 Base-Backbone interact. energy: -0.791 local terms energy: -566.026154 where: bonds (distance) C4'-P energy: -102.576 bonds (distance) P-C4' energy: -117.781 flat angles C4'-P-C4' energy: -117.560 flat angles P-C4'-P energy: -75.322 tors. eta vs tors. theta energy: -152.787 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: 2, replica: 8 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1891.943676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.943676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.943676 (E_RNA) where: Base-Base interactions energy: -1335.015 where: short stacking energy: -557.551 Base-Backbone interact. energy: -1.544 local terms energy: -555.384028 where: bonds (distance) C4'-P energy: -96.836 bonds (distance) P-C4' energy: -106.370 flat angles C4'-P-C4' energy: -109.795 flat angles P-C4'-P energy: -84.017 tors. eta vs tors. theta energy: -158.367 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: 4 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1824.732510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.732510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.732510 (E_RNA) where: Base-Base interactions energy: -1256.316 where: short stacking energy: -520.487 Base-Backbone interact. energy: -0.323 local terms energy: -568.093775 where: bonds (distance) C4'-P energy: -99.908 bonds (distance) P-C4' energy: -113.505 flat angles C4'-P-C4' energy: -121.241 flat angles P-C4'-P energy: -86.385 tors. eta vs tors. theta energy: -147.055 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: 4, replica: 1 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1760.760308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.760308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.760308 (E_RNA) where: Base-Base interactions energy: -1244.524 where: short stacking energy: -515.007 Base-Backbone interact. energy: 5.461 local terms energy: -521.697511 where: bonds (distance) C4'-P energy: -94.702 bonds (distance) P-C4' energy: -104.205 flat angles C4'-P-C4' energy: -116.961 flat angles P-C4'-P energy: -75.654 tors. eta vs tors. theta energy: -130.176 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: 2 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1698.836231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.836231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.836231 (E_RNA) where: Base-Base interactions energy: -1198.932 where: short stacking energy: -502.285 Base-Backbone interact. energy: -1.344 local terms energy: -498.560018 where: bonds (distance) C4'-P energy: -81.892 bonds (distance) P-C4' energy: -109.694 flat angles C4'-P-C4' energy: -94.161 flat angles P-C4'-P energy: -76.539 tors. eta vs tors. theta energy: -136.275 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: 6, replica: 6 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1637.686620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.686620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.686620 (E_RNA) where: Base-Base interactions energy: -1145.387 where: short stacking energy: -488.634 Base-Backbone interact. energy: 1.033 local terms energy: -493.333123 where: bonds (distance) C4'-P energy: -80.706 bonds (distance) P-C4' energy: -111.743 flat angles C4'-P-C4' energy: -108.014 flat angles P-C4'-P energy: -63.921 tors. eta vs tors. theta energy: -128.949 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: 7, replica: 5 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1564.982601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.982601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.982601 (E_RNA) where: Base-Base interactions energy: -1101.998 where: short stacking energy: -453.532 Base-Backbone interact. energy: 0.921 local terms energy: -463.905589 where: bonds (distance) C4'-P energy: -86.527 bonds (distance) P-C4' energy: -91.952 flat angles C4'-P-C4' energy: -99.712 flat angles P-C4'-P energy: -71.221 tors. eta vs tors. theta energy: -114.494 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: 8, replica: 9 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1360.548841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.548841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.548841 (E_RNA) where: Base-Base interactions energy: -921.400 where: short stacking energy: -391.688 Base-Backbone interact. energy: 6.891 local terms energy: -446.040269 where: bonds (distance) C4'-P energy: -83.861 bonds (distance) P-C4' energy: -100.204 flat angles C4'-P-C4' energy: -100.318 flat angles P-C4'-P energy: -69.182 tors. eta vs tors. theta energy: -92.475 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: 7 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1206.749309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.749309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.749309 (E_RNA) where: Base-Base interactions energy: -787.302 where: short stacking energy: -341.398 Base-Backbone interact. energy: 0.493 local terms energy: -419.940596 where: bonds (distance) C4'-P energy: -77.765 bonds (distance) P-C4' energy: -104.873 flat angles C4'-P-C4' energy: -97.392 flat angles P-C4'-P energy: -62.770 tors. eta vs tors. theta energy: -77.141 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: 10, replica: 10 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -1097.862577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.862577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.862577 (E_RNA) where: Base-Base interactions energy: -716.848 where: short stacking energy: -317.428 Base-Backbone interact. energy: -2.261 local terms energy: -378.753865 where: bonds (distance) C4'-P energy: -85.838 bonds (distance) P-C4' energy: -96.742 flat angles C4'-P-C4' energy: -79.816 flat angles P-C4'-P energy: -62.683 tors. eta vs tors. theta energy: -53.675 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: 3 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1884.875507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.875507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.875507 (E_RNA) where: Base-Base interactions energy: -1321.534 where: short stacking energy: -528.313 Base-Backbone interact. energy: -3.579 local terms energy: -559.762661 where: bonds (distance) C4'-P energy: -90.745 bonds (distance) P-C4' energy: -109.919 flat angles C4'-P-C4' energy: -121.060 flat angles P-C4'-P energy: -92.820 tors. eta vs tors. theta energy: -145.219 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: 8 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1887.898183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.898183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.898183 (E_RNA) where: Base-Base interactions energy: -1304.222 where: short stacking energy: -530.696 Base-Backbone interact. energy: -1.512 local terms energy: -582.164201 where: bonds (distance) C4'-P energy: -103.427 bonds (distance) P-C4' energy: -121.692 flat angles C4'-P-C4' energy: -119.414 flat angles P-C4'-P energy: -85.807 tors. eta vs tors. theta energy: -151.824 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: 3, replica: 4 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1826.814899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.814899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.814899 (E_RNA) where: Base-Base interactions energy: -1282.086 where: short stacking energy: -532.665 Base-Backbone interact. energy: -1.848 local terms energy: -542.881130 where: bonds (distance) C4'-P energy: -97.418 bonds (distance) P-C4' energy: -107.202 flat angles C4'-P-C4' energy: -117.788 flat angles P-C4'-P energy: -69.853 tors. eta vs tors. theta energy: -150.621 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: 1 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1793.207737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.207737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.207737 (E_RNA) where: Base-Base interactions energy: -1267.720 where: short stacking energy: -517.476 Base-Backbone interact. energy: 4.223 local terms energy: -529.711356 where: bonds (distance) C4'-P energy: -83.199 bonds (distance) P-C4' energy: -111.613 flat angles C4'-P-C4' energy: -115.269 flat angles P-C4'-P energy: -78.655 tors. eta vs tors. theta energy: -140.976 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: 5, replica: 2 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1723.837137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.837137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.837137 (E_RNA) where: Base-Base interactions energy: -1210.594 where: short stacking energy: -499.738 Base-Backbone interact. energy: -0.914 local terms energy: -512.329624 where: bonds (distance) C4'-P energy: -99.082 bonds (distance) P-C4' energy: -97.671 flat angles C4'-P-C4' energy: -103.571 flat angles P-C4'-P energy: -66.472 tors. eta vs tors. theta energy: -145.533 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: 6 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1626.034797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.034797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.034797 (E_RNA) where: Base-Base interactions energy: -1132.981 where: short stacking energy: -464.142 Base-Backbone interact. energy: 1.203 local terms energy: -494.256806 where: bonds (distance) C4'-P energy: -94.831 bonds (distance) P-C4' energy: -112.716 flat angles C4'-P-C4' energy: -109.144 flat angles P-C4'-P energy: -49.375 tors. eta vs tors. theta energy: -128.191 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: 7, replica: 5 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1571.460180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.460180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.460180 (E_RNA) where: Base-Base interactions energy: -1100.167 where: short stacking energy: -443.562 Base-Backbone interact. energy: 1.840 local terms energy: -473.133759 where: bonds (distance) C4'-P energy: -98.670 bonds (distance) P-C4' energy: -92.696 flat angles C4'-P-C4' energy: -104.565 flat angles P-C4'-P energy: -66.313 tors. eta vs tors. theta energy: -110.889 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: 8, replica: 9 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1408.904541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.904541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.904541 (E_RNA) where: Base-Base interactions energy: -962.551 where: short stacking energy: -403.133 Base-Backbone interact. energy: -2.112 local terms energy: -444.241870 where: bonds (distance) C4'-P energy: -90.898 bonds (distance) P-C4' energy: -97.591 flat angles C4'-P-C4' energy: -96.735 flat angles P-C4'-P energy: -56.804 tors. eta vs tors. theta energy: -102.213 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: 7 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1179.892664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.892664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.892664 (E_RNA) where: Base-Base interactions energy: -784.219 where: short stacking energy: -337.601 Base-Backbone interact. energy: 1.614 local terms energy: -397.287578 where: bonds (distance) C4'-P energy: -82.774 bonds (distance) P-C4' energy: -97.410 flat angles C4'-P-C4' energy: -90.585 flat angles P-C4'-P energy: -59.916 tors. eta vs tors. theta energy: -66.602 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: 10, replica: 10 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -1122.053561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.053561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.053561 (E_RNA) where: Base-Base interactions energy: -720.319 where: short stacking energy: -315.561 Base-Backbone interact. energy: -0.237 local terms energy: -401.497600 where: bonds (distance) C4'-P energy: -81.892 bonds (distance) P-C4' energy: -107.012 flat angles C4'-P-C4' energy: -84.148 flat angles P-C4'-P energy: -60.966 tors. eta vs tors. theta energy: -67.480 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: 8 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1907.254049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.254049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.254049 (E_RNA) where: Base-Base interactions energy: -1336.934 where: short stacking energy: -553.679 Base-Backbone interact. energy: 1.462 local terms energy: -571.782340 where: bonds (distance) C4'-P energy: -104.314 bonds (distance) P-C4' energy: -112.784 flat angles C4'-P-C4' energy: -122.805 flat angles P-C4'-P energy: -78.645 tors. eta vs tors. theta energy: -153.235 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: 3 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1876.187329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.187329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.187329 (E_RNA) where: Base-Base interactions energy: -1338.830 where: short stacking energy: -548.698 Base-Backbone interact. energy: 3.404 local terms energy: -540.760706 where: bonds (distance) C4'-P energy: -96.304 bonds (distance) P-C4' energy: -95.191 flat angles C4'-P-C4' energy: -120.177 flat angles P-C4'-P energy: -80.504 tors. eta vs tors. theta energy: -148.584 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: 3, replica: 4 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1823.233592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.233592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.233592 (E_RNA) where: Base-Base interactions energy: -1262.691 where: short stacking energy: -529.344 Base-Backbone interact. energy: 0.504 local terms energy: -561.046361 where: bonds (distance) C4'-P energy: -106.701 bonds (distance) P-C4' energy: -109.508 flat angles C4'-P-C4' energy: -110.357 flat angles P-C4'-P energy: -79.609 tors. eta vs tors. theta energy: -154.871 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: 4, replica: 1 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1789.244946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.244946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.244946 (E_RNA) where: Base-Base interactions energy: -1265.809 where: short stacking energy: -523.342 Base-Backbone interact. energy: 0.443 local terms energy: -523.878479 where: bonds (distance) C4'-P energy: -99.273 bonds (distance) P-C4' energy: -104.183 flat angles C4'-P-C4' energy: -102.608 flat angles P-C4'-P energy: -74.729 tors. eta vs tors. theta energy: -143.086 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: 2 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1722.672591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.672591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.672591 (E_RNA) where: Base-Base interactions energy: -1216.403 where: short stacking energy: -505.296 Base-Backbone interact. energy: -0.243 local terms energy: -506.026286 where: bonds (distance) C4'-P energy: -86.230 bonds (distance) P-C4' energy: -106.890 flat angles C4'-P-C4' energy: -109.904 flat angles P-C4'-P energy: -65.640 tors. eta vs tors. theta energy: -137.362 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: 6 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1626.384336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.384336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.384336 (E_RNA) where: Base-Base interactions energy: -1124.365 where: short stacking energy: -479.415 Base-Backbone interact. energy: 0.492 local terms energy: -502.511719 where: bonds (distance) C4'-P energy: -99.879 bonds (distance) P-C4' energy: -89.141 flat angles C4'-P-C4' energy: -107.044 flat angles P-C4'-P energy: -69.628 tors. eta vs tors. theta energy: -136.820 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: 5 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1611.176219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.176219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.176219 (E_RNA) where: Base-Base interactions energy: -1129.336 where: short stacking energy: -457.507 Base-Backbone interact. energy: 3.237 local terms energy: -485.077499 where: bonds (distance) C4'-P energy: -84.367 bonds (distance) P-C4' energy: -114.128 flat angles C4'-P-C4' energy: -108.073 flat angles P-C4'-P energy: -58.317 tors. eta vs tors. theta energy: -120.193 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: 8, replica: 9 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1414.753922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.753922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.753922 (E_RNA) where: Base-Base interactions energy: -967.815 where: short stacking energy: -404.727 Base-Backbone interact. energy: -0.415 local terms energy: -446.523650 where: bonds (distance) C4'-P energy: -84.711 bonds (distance) P-C4' energy: -116.642 flat angles C4'-P-C4' energy: -95.328 flat angles P-C4'-P energy: -59.096 tors. eta vs tors. theta energy: -90.746 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: 7 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1191.775127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.775127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.775127 (E_RNA) where: Base-Base interactions energy: -798.876 where: short stacking energy: -352.713 Base-Backbone interact. energy: 7.076 local terms energy: -399.974535 where: bonds (distance) C4'-P energy: -86.270 bonds (distance) P-C4' energy: -100.643 flat angles C4'-P-C4' energy: -93.193 flat angles P-C4'-P energy: -55.667 tors. eta vs tors. theta energy: -64.202 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: 10 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -1079.138436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.138436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.138436 (E_RNA) where: Base-Base interactions energy: -689.605 where: short stacking energy: -315.185 Base-Backbone interact. energy: -2.172 local terms energy: -387.361278 where: bonds (distance) C4'-P energy: -89.579 bonds (distance) P-C4' energy: -94.329 flat angles C4'-P-C4' energy: -78.457 flat angles P-C4'-P energy: -50.334 tors. eta vs tors. theta energy: -74.663 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: 1, replica: 8 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1911.089176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.089176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.089176 (E_RNA) where: Base-Base interactions energy: -1338.273 where: short stacking energy: -552.864 Base-Backbone interact. energy: -1.770 local terms energy: -571.046368 where: bonds (distance) C4'-P energy: -96.345 bonds (distance) P-C4' energy: -111.129 flat angles C4'-P-C4' energy: -120.970 flat angles P-C4'-P energy: -81.207 tors. eta vs tors. theta energy: -161.396 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: 3 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1861.056677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.056677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.056677 (E_RNA) where: Base-Base interactions energy: -1314.628 where: short stacking energy: -532.728 Base-Backbone interact. energy: -0.812 local terms energy: -545.616704 where: bonds (distance) C4'-P energy: -95.927 bonds (distance) P-C4' energy: -101.050 flat angles C4'-P-C4' energy: -119.247 flat angles P-C4'-P energy: -75.502 tors. eta vs tors. theta energy: -153.891 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: 3, replica: 4 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1804.196172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.196172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.196172 (E_RNA) where: Base-Base interactions energy: -1263.698 where: short stacking energy: -514.458 Base-Backbone interact. energy: 0.696 local terms energy: -541.193902 where: bonds (distance) C4'-P energy: -100.395 bonds (distance) P-C4' energy: -105.660 flat angles C4'-P-C4' energy: -112.402 flat angles P-C4'-P energy: -76.741 tors. eta vs tors. theta energy: -145.997 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: 2 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1774.154063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.154063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.154063 (E_RNA) where: Base-Base interactions energy: -1236.165 where: short stacking energy: -520.640 Base-Backbone interact. energy: -0.442 local terms energy: -537.546541 where: bonds (distance) C4'-P energy: -99.274 bonds (distance) P-C4' energy: -109.301 flat angles C4'-P-C4' energy: -109.982 flat angles P-C4'-P energy: -74.774 tors. eta vs tors. theta energy: -144.215 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: 1 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1741.452935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.452935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.452935 (E_RNA) where: Base-Base interactions energy: -1227.586 where: short stacking energy: -497.100 Base-Backbone interact. energy: -0.551 local terms energy: -513.316220 where: bonds (distance) C4'-P energy: -95.504 bonds (distance) P-C4' energy: -96.666 flat angles C4'-P-C4' energy: -117.343 flat angles P-C4'-P energy: -69.735 tors. eta vs tors. theta energy: -134.067 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: 6 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1648.490475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.490475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.490475 (E_RNA) where: Base-Base interactions energy: -1132.986 where: short stacking energy: -467.008 Base-Backbone interact. energy: -1.328 local terms energy: -514.175803 where: bonds (distance) C4'-P energy: -106.493 bonds (distance) P-C4' energy: -107.262 flat angles C4'-P-C4' energy: -107.236 flat angles P-C4'-P energy: -66.886 tors. eta vs tors. theta energy: -126.298 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: 5 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1574.773977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.773977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.773977 (E_RNA) where: Base-Base interactions energy: -1083.611 where: short stacking energy: -449.440 Base-Backbone interact. energy: -0.724 local terms energy: -490.438930 where: bonds (distance) C4'-P energy: -93.667 bonds (distance) P-C4' energy: -100.332 flat angles C4'-P-C4' energy: -103.145 flat angles P-C4'-P energy: -71.800 tors. eta vs tors. theta energy: -121.495 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: 9 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1414.848129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.848129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.848129 (E_RNA) where: Base-Base interactions energy: -957.499 where: short stacking energy: -396.138 Base-Backbone interact. energy: 1.356 local terms energy: -458.704502 where: bonds (distance) C4'-P energy: -92.169 bonds (distance) P-C4' energy: -111.499 flat angles C4'-P-C4' energy: -103.098 flat angles P-C4'-P energy: -58.463 tors. eta vs tors. theta energy: -93.475 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: 7 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1158.145066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.145066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.145066 (E_RNA) where: Base-Base interactions energy: -723.465 where: short stacking energy: -308.742 Base-Backbone interact. energy: -0.499 local terms energy: -434.181257 where: bonds (distance) C4'-P energy: -92.980 bonds (distance) P-C4' energy: -106.962 flat angles C4'-P-C4' energy: -110.232 flat angles P-C4'-P energy: -64.244 tors. eta vs tors. theta energy: -59.763 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: 10 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -1100.203191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.203191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.203191 (E_RNA) where: Base-Base interactions energy: -702.544 where: short stacking energy: -318.382 Base-Backbone interact. energy: -1.325 local terms energy: -396.334683 where: bonds (distance) C4'-P energy: -85.651 bonds (distance) P-C4' energy: -94.584 flat angles C4'-P-C4' energy: -87.497 flat angles P-C4'-P energy: -63.893 tors. eta vs tors. theta energy: -64.709 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: 1, replica: 8 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1917.490406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.490406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.490406 (E_RNA) where: Base-Base interactions energy: -1340.373 where: short stacking energy: -540.571 Base-Backbone interact. energy: 1.556 local terms energy: -578.672948 where: bonds (distance) C4'-P energy: -109.858 bonds (distance) P-C4' energy: -114.076 flat angles C4'-P-C4' energy: -114.382 flat angles P-C4'-P energy: -84.339 tors. eta vs tors. theta energy: -156.019 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: 3 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1845.952281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.952281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.952281 (E_RNA) where: Base-Base interactions energy: -1314.881 where: short stacking energy: -526.379 Base-Backbone interact. energy: 5.709 local terms energy: -536.780620 where: bonds (distance) C4'-P energy: -99.923 bonds (distance) P-C4' energy: -99.351 flat angles C4'-P-C4' energy: -109.246 flat angles P-C4'-P energy: -79.298 tors. eta vs tors. theta energy: -148.963 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: 3, replica: 4 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1801.280192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.280192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.280192 (E_RNA) where: Base-Base interactions energy: -1252.496 where: short stacking energy: -510.846 Base-Backbone interact. energy: -1.747 local terms energy: -547.037402 where: bonds (distance) C4'-P energy: -92.715 bonds (distance) P-C4' energy: -110.467 flat angles C4'-P-C4' energy: -116.590 flat angles P-C4'-P energy: -82.671 tors. eta vs tors. theta energy: -144.594 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: 2 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1749.381125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.381125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.381125 (E_RNA) where: Base-Base interactions energy: -1219.221 where: short stacking energy: -526.269 Base-Backbone interact. energy: 0.627 local terms energy: -530.787923 where: bonds (distance) C4'-P energy: -105.898 bonds (distance) P-C4' energy: -101.717 flat angles C4'-P-C4' energy: -106.339 flat angles P-C4'-P energy: -71.608 tors. eta vs tors. theta energy: -145.226 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: 1 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1732.703452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.703452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.703452 (E_RNA) where: Base-Base interactions energy: -1206.464 where: short stacking energy: -501.608 Base-Backbone interact. energy: -2.268 local terms energy: -523.971056 where: bonds (distance) C4'-P energy: -98.446 bonds (distance) P-C4' energy: -100.308 flat angles C4'-P-C4' energy: -113.759 flat angles P-C4'-P energy: -77.110 tors. eta vs tors. theta energy: -134.347 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: 6, replica: 6 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1644.991458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.991458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.991458 (E_RNA) where: Base-Base interactions energy: -1142.095 where: short stacking energy: -483.482 Base-Backbone interact. energy: 7.950 local terms energy: -510.847065 where: bonds (distance) C4'-P energy: -87.804 bonds (distance) P-C4' energy: -106.668 flat angles C4'-P-C4' energy: -110.124 flat angles P-C4'-P energy: -68.071 tors. eta vs tors. theta energy: -138.179 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: 7, replica: 5 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1573.993173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.993173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.993173 (E_RNA) where: Base-Base interactions energy: -1097.822 where: short stacking energy: -439.751 Base-Backbone interact. energy: -2.734 local terms energy: -473.436967 where: bonds (distance) C4'-P energy: -97.137 bonds (distance) P-C4' energy: -105.746 flat angles C4'-P-C4' energy: -91.584 flat angles P-C4'-P energy: -56.444 tors. eta vs tors. theta energy: -122.526 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: 9 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1392.442057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.442057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.442057 (E_RNA) where: Base-Base interactions energy: -955.374 where: short stacking energy: -389.884 Base-Backbone interact. energy: 6.664 local terms energy: -443.732133 where: bonds (distance) C4'-P energy: -83.890 bonds (distance) P-C4' energy: -93.437 flat angles C4'-P-C4' energy: -96.854 flat angles P-C4'-P energy: -75.157 tors. eta vs tors. theta energy: -94.395 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: 7 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1160.351173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.351173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.351173 (E_RNA) where: Base-Base interactions energy: -766.028 where: short stacking energy: -344.468 Base-Backbone interact. energy: 3.842 local terms energy: -398.165557 where: bonds (distance) C4'-P energy: -77.180 bonds (distance) P-C4' energy: -100.262 flat angles C4'-P-C4' energy: -97.690 flat angles P-C4'-P energy: -46.127 tors. eta vs tors. theta energy: -76.906 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: 10 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -1090.662463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.662463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.662463 (E_RNA) where: Base-Base interactions energy: -711.631 where: short stacking energy: -331.675 Base-Backbone interact. energy: 0.504 local terms energy: -379.535056 where: bonds (distance) C4'-P energy: -73.767 bonds (distance) P-C4' energy: -98.141 flat angles C4'-P-C4' energy: -81.952 flat angles P-C4'-P energy: -57.995 tors. eta vs tors. theta energy: -67.680 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: 1, replica: 8 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1939.563009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.563009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.563009 (E_RNA) where: Base-Base interactions energy: -1369.686 where: short stacking energy: -551.798 Base-Backbone interact. energy: -2.442 local terms energy: -567.434703 where: bonds (distance) C4'-P energy: -98.905 bonds (distance) P-C4' energy: -110.257 flat angles C4'-P-C4' energy: -119.656 flat angles P-C4'-P energy: -78.897 tors. eta vs tors. theta energy: -159.720 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: 2, replica: 3 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1868.129246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.129246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.129246 (E_RNA) where: Base-Base interactions energy: -1299.989 where: short stacking energy: -540.684 Base-Backbone interact. energy: -0.668 local terms energy: -567.472860 where: bonds (distance) C4'-P energy: -96.321 bonds (distance) P-C4' energy: -119.759 flat angles C4'-P-C4' energy: -114.174 flat angles P-C4'-P energy: -85.093 tors. eta vs tors. theta energy: -152.126 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: 4 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1781.887446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.887446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.887446 (E_RNA) where: Base-Base interactions energy: -1237.074 where: short stacking energy: -500.811 Base-Backbone interact. energy: -0.997 local terms energy: -543.816449 where: bonds (distance) C4'-P energy: -89.687 bonds (distance) P-C4' energy: -117.000 flat angles C4'-P-C4' energy: -117.859 flat angles P-C4'-P energy: -80.248 tors. eta vs tors. theta energy: -139.022 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: 4, replica: 2 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1760.881846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.881846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.881846 (E_RNA) where: Base-Base interactions energy: -1229.195 where: short stacking energy: -519.115 Base-Backbone interact. energy: -0.104 local terms energy: -531.583166 where: bonds (distance) C4'-P energy: -92.276 bonds (distance) P-C4' energy: -107.844 flat angles C4'-P-C4' energy: -114.880 flat angles P-C4'-P energy: -72.781 tors. eta vs tors. theta energy: -143.801 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: 5, replica: 1 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1698.475748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.475748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.475748 (E_RNA) where: Base-Base interactions energy: -1169.973 where: short stacking energy: -484.820 Base-Backbone interact. energy: -0.953 local terms energy: -527.549556 where: bonds (distance) C4'-P energy: -94.394 bonds (distance) P-C4' energy: -110.765 flat angles C4'-P-C4' energy: -106.261 flat angles P-C4'-P energy: -78.624 tors. eta vs tors. theta energy: -137.506 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: 6 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1628.793677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.793677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.793677 (E_RNA) where: Base-Base interactions energy: -1130.865 where: short stacking energy: -461.852 Base-Backbone interact. energy: 2.271 local terms energy: -500.199729 where: bonds (distance) C4'-P energy: -96.718 bonds (distance) P-C4' energy: -108.772 flat angles C4'-P-C4' energy: -106.480 flat angles P-C4'-P energy: -67.630 tors. eta vs tors. theta energy: -120.600 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: 7, replica: 5 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1584.399676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.399676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.399676 (E_RNA) where: Base-Base interactions energy: -1120.843 where: short stacking energy: -452.482 Base-Backbone interact. energy: -1.526 local terms energy: -462.030464 where: bonds (distance) C4'-P energy: -82.745 bonds (distance) P-C4' energy: -92.398 flat angles C4'-P-C4' energy: -107.736 flat angles P-C4'-P energy: -57.518 tors. eta vs tors. theta energy: -121.634 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: 8, replica: 9 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1357.010473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.010473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.010473 (E_RNA) where: Base-Base interactions energy: -914.417 where: short stacking energy: -376.400 Base-Backbone interact. energy: 1.182 local terms energy: -443.776418 where: bonds (distance) C4'-P energy: -76.665 bonds (distance) P-C4' energy: -97.778 flat angles C4'-P-C4' energy: -108.644 flat angles P-C4'-P energy: -68.590 tors. eta vs tors. theta energy: -92.100 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: 9, replica: 7 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1178.543588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.543588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.543588 (E_RNA) where: Base-Base interactions energy: -765.168 where: short stacking energy: -339.317 Base-Backbone interact. energy: 3.722 local terms energy: -417.097209 where: bonds (distance) C4'-P energy: -88.711 bonds (distance) P-C4' energy: -104.966 flat angles C4'-P-C4' energy: -96.633 flat angles P-C4'-P energy: -56.205 tors. eta vs tors. theta energy: -70.582 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: 10 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -1100.964205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.964205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.964205 (E_RNA) where: Base-Base interactions energy: -708.000 where: short stacking energy: -297.946 Base-Backbone interact. energy: 0.815 local terms energy: -393.778411 where: bonds (distance) C4'-P energy: -85.955 bonds (distance) P-C4' energy: -95.679 flat angles C4'-P-C4' energy: -96.487 flat angles P-C4'-P energy: -67.349 tors. eta vs tors. theta energy: -48.309 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: 1, replica: 8 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1932.230698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.230698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.230698 (E_RNA) where: Base-Base interactions energy: -1356.390 where: short stacking energy: -565.897 Base-Backbone interact. energy: 2.639 local terms energy: -578.479211 where: bonds (distance) C4'-P energy: -104.728 bonds (distance) P-C4' energy: -108.827 flat angles C4'-P-C4' energy: -115.374 flat angles P-C4'-P energy: -87.958 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: 2, replica: 3 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1867.929665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.929665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.929665 (E_RNA) where: Base-Base interactions energy: -1316.748 where: short stacking energy: -553.787 Base-Backbone interact. energy: -1.779 local terms energy: -549.403545 where: bonds (distance) C4'-P energy: -93.285 bonds (distance) P-C4' energy: -108.176 flat angles C4'-P-C4' energy: -111.239 flat angles P-C4'-P energy: -75.951 tors. eta vs tors. theta energy: -160.752 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: 4 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1805.362680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.362680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.362680 (E_RNA) where: Base-Base interactions energy: -1266.497 where: short stacking energy: -522.931 Base-Backbone interact. energy: -2.633 local terms energy: -536.232612 where: bonds (distance) C4'-P energy: -85.076 bonds (distance) P-C4' energy: -103.551 flat angles C4'-P-C4' energy: -116.003 flat angles P-C4'-P energy: -80.708 tors. eta vs tors. theta energy: -150.894 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: 2 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1763.241941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.241941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.241941 (E_RNA) where: Base-Base interactions energy: -1227.865 where: short stacking energy: -511.814 Base-Backbone interact. energy: 5.218 local terms energy: -540.595384 where: bonds (distance) C4'-P energy: -88.566 bonds (distance) P-C4' energy: -102.900 flat angles C4'-P-C4' energy: -117.208 flat angles P-C4'-P energy: -87.811 tors. eta vs tors. theta energy: -144.109 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: 5, replica: 1 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1731.011980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.011980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.011980 (E_RNA) where: Base-Base interactions energy: -1225.944 where: short stacking energy: -492.248 Base-Backbone interact. energy: 6.054 local terms energy: -511.121145 where: bonds (distance) C4'-P energy: -89.324 bonds (distance) P-C4' energy: -103.916 flat angles C4'-P-C4' energy: -114.262 flat angles P-C4'-P energy: -64.860 tors. eta vs tors. theta energy: -138.759 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: 6, replica: 6 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1625.840468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.840468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.840468 (E_RNA) where: Base-Base interactions energy: -1121.101 where: short stacking energy: -457.616 Base-Backbone interact. energy: -0.314 local terms energy: -504.425893 where: bonds (distance) C4'-P energy: -95.657 bonds (distance) P-C4' energy: -107.444 flat angles C4'-P-C4' energy: -99.787 flat angles P-C4'-P energy: -82.450 tors. eta vs tors. theta energy: -119.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1592.961484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.961484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.961484 (E_RNA) where: Base-Base interactions energy: -1130.105 where: short stacking energy: -464.699 Base-Backbone interact. energy: 0.539 local terms energy: -463.395753 where: bonds (distance) C4'-P energy: -81.713 bonds (distance) P-C4' energy: -96.659 flat angles C4'-P-C4' energy: -97.450 flat angles P-C4'-P energy: -71.211 tors. eta vs tors. theta energy: -116.363 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: 9 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1378.199507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.199507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.199507 (E_RNA) where: Base-Base interactions energy: -907.914 where: short stacking energy: -396.413 Base-Backbone interact. energy: 2.588 local terms energy: -472.872844 where: bonds (distance) C4'-P energy: -92.230 bonds (distance) P-C4' energy: -98.261 flat angles C4'-P-C4' energy: -107.758 flat angles P-C4'-P energy: -66.990 tors. eta vs tors. theta energy: -107.634 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: 7 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1184.264530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.264530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.264530 (E_RNA) where: Base-Base interactions energy: -791.377 where: short stacking energy: -334.027 Base-Backbone interact. energy: -1.153 local terms energy: -391.733663 where: bonds (distance) C4'-P energy: -84.287 bonds (distance) P-C4' energy: -99.177 flat angles C4'-P-C4' energy: -84.471 flat angles P-C4'-P energy: -58.464 tors. eta vs tors. theta energy: -65.334 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: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -1103.172606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.172606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.172606 (E_RNA) where: Base-Base interactions energy: -696.945 where: short stacking energy: -301.090 Base-Backbone interact. energy: -0.234 local terms energy: -405.993049 where: bonds (distance) C4'-P energy: -84.106 bonds (distance) P-C4' energy: -111.956 flat angles C4'-P-C4' energy: -89.102 flat angles P-C4'-P energy: -64.508 tors. eta vs tors. theta energy: -56.321 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: 8 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1941.599313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.599313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.599313 (E_RNA) where: Base-Base interactions energy: -1362.997 where: short stacking energy: -555.323 Base-Backbone interact. energy: -1.281 local terms energy: -577.321529 where: bonds (distance) C4'-P energy: -96.306 bonds (distance) P-C4' energy: -117.406 flat angles C4'-P-C4' energy: -125.737 flat angles P-C4'-P energy: -79.973 tors. eta vs tors. theta energy: -157.899 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: 2, replica: 3 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1859.685410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.685410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.685410 (E_RNA) where: Base-Base interactions energy: -1289.878 where: short stacking energy: -533.393 Base-Backbone interact. energy: 0.097 local terms energy: -569.905127 where: bonds (distance) C4'-P energy: -102.854 bonds (distance) P-C4' energy: -116.530 flat angles C4'-P-C4' energy: -109.600 flat angles P-C4'-P energy: -83.922 tors. eta vs tors. theta energy: -156.999 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: 4 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1813.085714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.085714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.085714 (E_RNA) where: Base-Base interactions energy: -1274.889 where: short stacking energy: -523.825 Base-Backbone interact. energy: 1.071 local terms energy: -539.267302 where: bonds (distance) C4'-P energy: -89.673 bonds (distance) P-C4' energy: -108.532 flat angles C4'-P-C4' energy: -120.771 flat angles P-C4'-P energy: -74.970 tors. eta vs tors. theta energy: -145.321 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: 1 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1793.197996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.197996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.197996 (E_RNA) where: Base-Base interactions energy: -1255.815 where: short stacking energy: -523.962 Base-Backbone interact. energy: -2.428 local terms energy: -534.954813 where: bonds (distance) C4'-P energy: -93.875 bonds (distance) P-C4' energy: -106.408 flat angles C4'-P-C4' energy: -110.542 flat angles P-C4'-P energy: -70.891 tors. eta vs tors. theta energy: -153.239 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: 5, replica: 2 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1708.233383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.233383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.233383 (E_RNA) where: Base-Base interactions energy: -1183.462 where: short stacking energy: -488.450 Base-Backbone interact. energy: 1.793 local terms energy: -526.563908 where: bonds (distance) C4'-P energy: -87.838 bonds (distance) P-C4' energy: -107.076 flat angles C4'-P-C4' energy: -119.845 flat angles P-C4'-P energy: -75.241 tors. eta vs tors. theta energy: -136.564 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: 6, replica: 6 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1636.785359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.785359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.785359 (E_RNA) where: Base-Base interactions energy: -1122.878 where: short stacking energy: -481.802 Base-Backbone interact. energy: -1.801 local terms energy: -512.106155 where: bonds (distance) C4'-P energy: -99.219 bonds (distance) P-C4' energy: -95.960 flat angles C4'-P-C4' energy: -119.328 flat angles P-C4'-P energy: -69.186 tors. eta vs tors. theta energy: -128.414 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: 5 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1565.400309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.400309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.400309 (E_RNA) where: Base-Base interactions energy: -1105.009 where: short stacking energy: -451.324 Base-Backbone interact. energy: -1.011 local terms energy: -459.379598 where: bonds (distance) C4'-P energy: -84.632 bonds (distance) P-C4' energy: -96.574 flat angles C4'-P-C4' energy: -93.605 flat angles P-C4'-P energy: -61.254 tors. eta vs tors. theta energy: -123.314 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: 9 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1394.708485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.708485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.708485 (E_RNA) where: Base-Base interactions energy: -940.613 where: short stacking energy: -404.302 Base-Backbone interact. energy: 2.733 local terms energy: -456.828843 where: bonds (distance) C4'-P energy: -96.836 bonds (distance) P-C4' energy: -104.666 flat angles C4'-P-C4' energy: -89.565 flat angles P-C4'-P energy: -71.319 tors. eta vs tors. theta energy: -94.443 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: 7 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1190.208440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.208440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.208440 (E_RNA) where: Base-Base interactions energy: -794.392 where: short stacking energy: -325.693 Base-Backbone interact. energy: 1.539 local terms energy: -397.355515 where: bonds (distance) C4'-P energy: -85.242 bonds (distance) P-C4' energy: -104.218 flat angles C4'-P-C4' energy: -99.021 flat angles P-C4'-P energy: -50.393 tors. eta vs tors. theta energy: -58.481 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: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -1115.161602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.161602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.161602 (E_RNA) where: Base-Base interactions energy: -732.238 where: short stacking energy: -301.410 Base-Backbone interact. energy: 3.296 local terms energy: -386.220194 where: bonds (distance) C4'-P energy: -94.046 bonds (distance) P-C4' energy: -106.207 flat angles C4'-P-C4' energy: -82.339 flat angles P-C4'-P energy: -54.910 tors. eta vs tors. theta energy: -48.718 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: 1, replica: 8 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1942.101976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.101976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.101976 (E_RNA) where: Base-Base interactions energy: -1392.330 where: short stacking energy: -570.892 Base-Backbone interact. energy: -0.462 local terms energy: -549.309060 where: bonds (distance) C4'-P energy: -96.458 bonds (distance) P-C4' energy: -105.388 flat angles C4'-P-C4' energy: -112.867 flat angles P-C4'-P energy: -79.786 tors. eta vs tors. theta energy: -154.810 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: 2, replica: 3 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1841.673806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.673806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.673806 (E_RNA) where: Base-Base interactions energy: -1274.217 where: short stacking energy: -531.531 Base-Backbone interact. energy: 2.066 local terms energy: -569.522839 where: bonds (distance) C4'-P energy: -106.361 bonds (distance) P-C4' energy: -117.421 flat angles C4'-P-C4' energy: -111.461 flat angles P-C4'-P energy: -81.311 tors. eta vs tors. theta energy: -152.968 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: 4 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1803.420000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.420000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.420000 (E_RNA) where: Base-Base interactions energy: -1245.761 where: short stacking energy: -517.392 Base-Backbone interact. energy: -2.290 local terms energy: -555.369095 where: bonds (distance) C4'-P energy: -101.677 bonds (distance) P-C4' energy: -103.441 flat angles C4'-P-C4' energy: -115.633 flat angles P-C4'-P energy: -81.419 tors. eta vs tors. theta energy: -153.199 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: 4, replica: 1 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1762.178110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.178110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.178110 (E_RNA) where: Base-Base interactions energy: -1244.702 where: short stacking energy: -520.846 Base-Backbone interact. energy: -1.755 local terms energy: -515.721244 where: bonds (distance) C4'-P energy: -99.184 bonds (distance) P-C4' energy: -105.831 flat angles C4'-P-C4' energy: -106.999 flat angles P-C4'-P energy: -66.231 tors. eta vs tors. theta energy: -137.475 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: 5, replica: 6 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1673.443813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.443813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.443813 (E_RNA) where: Base-Base interactions energy: -1142.382 where: short stacking energy: -464.556 Base-Backbone interact. energy: -3.526 local terms energy: -527.535698 where: bonds (distance) C4'-P energy: -97.901 bonds (distance) P-C4' energy: -106.779 flat angles C4'-P-C4' energy: -108.241 flat angles P-C4'-P energy: -79.816 tors. eta vs tors. theta energy: -134.800 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: 2 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1674.407277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.407277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.407277 (E_RNA) where: Base-Base interactions energy: -1171.155 where: short stacking energy: -496.007 Base-Backbone interact. energy: 0.438 local terms energy: -503.689847 where: bonds (distance) C4'-P energy: -95.586 bonds (distance) P-C4' energy: -100.663 flat angles C4'-P-C4' energy: -109.117 flat angles P-C4'-P energy: -62.104 tors. eta vs tors. theta energy: -136.221 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: 5 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1568.695447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.695447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.695447 (E_RNA) where: Base-Base interactions energy: -1080.498 where: short stacking energy: -440.844 Base-Backbone interact. energy: 0.223 local terms energy: -488.420534 where: bonds (distance) C4'-P energy: -85.417 bonds (distance) P-C4' energy: -103.246 flat angles C4'-P-C4' energy: -116.027 flat angles P-C4'-P energy: -74.120 tors. eta vs tors. theta energy: -109.610 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: 8, replica: 9 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1394.401879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.401879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.401879 (E_RNA) where: Base-Base interactions energy: -934.512 where: short stacking energy: -385.349 Base-Backbone interact. energy: -0.953 local terms energy: -458.936714 where: bonds (distance) C4'-P energy: -100.682 bonds (distance) P-C4' energy: -104.052 flat angles C4'-P-C4' energy: -95.249 flat angles P-C4'-P energy: -67.209 tors. eta vs tors. theta energy: -91.744 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: 7 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1183.369245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.369245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.369245 (E_RNA) where: Base-Base interactions energy: -778.117 where: short stacking energy: -350.647 Base-Backbone interact. energy: 3.044 local terms energy: -408.296204 where: bonds (distance) C4'-P energy: -96.678 bonds (distance) P-C4' energy: -96.032 flat angles C4'-P-C4' energy: -92.388 flat angles P-C4'-P energy: -56.065 tors. eta vs tors. theta energy: -67.133 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: 10, replica: 10 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -1103.427945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.427945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.427945 (E_RNA) where: Base-Base interactions energy: -710.115 where: short stacking energy: -323.161 Base-Backbone interact. energy: 0.054 local terms energy: -393.366730 where: bonds (distance) C4'-P energy: -89.579 bonds (distance) P-C4' energy: -86.068 flat angles C4'-P-C4' energy: -83.096 flat angles P-C4'-P energy: -69.193 tors. eta vs tors. theta energy: -65.431 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: 1, replica: 8 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1949.747015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.747015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.747015 (E_RNA) where: Base-Base interactions energy: -1368.963 where: short stacking energy: -567.897 Base-Backbone interact. energy: 4.844 local terms energy: -585.628735 where: bonds (distance) C4'-P energy: -99.810 bonds (distance) P-C4' energy: -118.463 flat angles C4'-P-C4' energy: -118.162 flat angles P-C4'-P energy: -85.257 tors. eta vs tors. theta energy: -163.937 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: 2, replica: 4 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1863.632753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.632753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.632753 (E_RNA) where: Base-Base interactions energy: -1303.008 where: short stacking energy: -552.110 Base-Backbone interact. energy: 1.064 local terms energy: -561.689063 where: bonds (distance) C4'-P energy: -90.753 bonds (distance) P-C4' energy: -115.730 flat angles C4'-P-C4' energy: -124.379 flat angles P-C4'-P energy: -83.886 tors. eta vs tors. theta energy: -146.941 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: 3, replica: 3 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1811.431417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.431417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.431417 (E_RNA) where: Base-Base interactions energy: -1260.180 where: short stacking energy: -512.060 Base-Backbone interact. energy: -2.281 local terms energy: -548.970370 where: bonds (distance) C4'-P energy: -96.686 bonds (distance) P-C4' energy: -108.914 flat angles C4'-P-C4' energy: -108.943 flat angles P-C4'-P energy: -85.215 tors. eta vs tors. theta energy: -149.212 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: 1 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1762.595123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.595123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.595123 (E_RNA) where: Base-Base interactions energy: -1239.345 where: short stacking energy: -524.741 Base-Backbone interact. energy: -0.950 local terms energy: -522.300385 where: bonds (distance) C4'-P energy: -89.305 bonds (distance) P-C4' energy: -111.949 flat angles C4'-P-C4' energy: -107.568 flat angles P-C4'-P energy: -69.365 tors. eta vs tors. theta energy: -144.113 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: 5, replica: 6 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1673.981984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.981984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.981984 (E_RNA) where: Base-Base interactions energy: -1133.079 where: short stacking energy: -486.479 Base-Backbone interact. energy: -0.820 local terms energy: -540.083127 where: bonds (distance) C4'-P energy: -108.068 bonds (distance) P-C4' energy: -100.949 flat angles C4'-P-C4' energy: -119.967 flat angles P-C4'-P energy: -70.351 tors. eta vs tors. theta energy: -140.748 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: 6, replica: 2 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1674.492238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.492238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.492238 (E_RNA) where: Base-Base interactions energy: -1171.523 where: short stacking energy: -480.156 Base-Backbone interact. energy: -1.373 local terms energy: -501.596444 where: bonds (distance) C4'-P energy: -86.017 bonds (distance) P-C4' energy: -109.638 flat angles C4'-P-C4' energy: -100.408 flat angles P-C4'-P energy: -74.559 tors. eta vs tors. theta energy: -130.974 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: 7, replica: 5 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1572.186029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.186029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.186029 (E_RNA) where: Base-Base interactions energy: -1093.308 where: short stacking energy: -456.888 Base-Backbone interact. energy: -1.085 local terms energy: -477.793453 where: bonds (distance) C4'-P energy: -88.178 bonds (distance) P-C4' energy: -99.617 flat angles C4'-P-C4' energy: -107.162 flat angles P-C4'-P energy: -60.067 tors. eta vs tors. theta energy: -122.770 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: 8, replica: 9 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1377.302007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.302007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.302007 (E_RNA) where: Base-Base interactions energy: -925.047 where: short stacking energy: -391.389 Base-Backbone interact. energy: 7.203 local terms energy: -459.458378 where: bonds (distance) C4'-P energy: -98.590 bonds (distance) P-C4' energy: -112.421 flat angles C4'-P-C4' energy: -94.276 flat angles P-C4'-P energy: -67.920 tors. eta vs tors. theta energy: -86.253 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: 7 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1210.782353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.782353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.782353 (E_RNA) where: Base-Base interactions energy: -803.949 where: short stacking energy: -346.263 Base-Backbone interact. energy: -1.846 local terms energy: -404.986890 where: bonds (distance) C4'-P energy: -84.786 bonds (distance) P-C4' energy: -87.741 flat angles C4'-P-C4' energy: -91.684 flat angles P-C4'-P energy: -69.518 tors. eta vs tors. theta energy: -71.259 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: 10, replica: 10 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -1091.980607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.980607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.980607 (E_RNA) where: Base-Base interactions energy: -697.149 where: short stacking energy: -309.756 Base-Backbone interact. energy: 1.183 local terms energy: -396.015175 where: bonds (distance) C4'-P energy: -88.222 bonds (distance) P-C4' energy: -108.319 flat angles C4'-P-C4' energy: -79.255 flat angles P-C4'-P energy: -63.337 tors. eta vs tors. theta energy: -56.881 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: 1, replica: 8 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1915.837529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.837529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.837529 (E_RNA) where: Base-Base interactions energy: -1333.195 where: short stacking energy: -555.163 Base-Backbone interact. energy: -1.858 local terms energy: -580.783648 where: bonds (distance) C4'-P energy: -95.610 bonds (distance) P-C4' energy: -112.674 flat angles C4'-P-C4' energy: -127.394 flat angles P-C4'-P energy: -83.748 tors. eta vs tors. theta energy: -161.358 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: 2, replica: 4 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1868.021695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.021695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.021695 (E_RNA) where: Base-Base interactions energy: -1322.293 where: short stacking energy: -548.381 Base-Backbone interact. energy: 0.334 local terms energy: -546.063348 where: bonds (distance) C4'-P energy: -92.331 bonds (distance) P-C4' energy: -104.289 flat angles C4'-P-C4' energy: -114.315 flat angles P-C4'-P energy: -84.458 tors. eta vs tors. theta energy: -150.671 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: 132 Temperature: 1.000000 Total energy: -1836.661885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.661885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.661885 (E_RNA) where: Base-Base interactions energy: -1267.645 where: short stacking energy: -516.074 Base-Backbone interact. energy: -1.658 local terms energy: -567.359620 where: bonds (distance) C4'-P energy: -108.561 bonds (distance) P-C4' energy: -112.975 flat angles C4'-P-C4' energy: -118.990 flat angles P-C4'-P energy: -78.969 tors. eta vs tors. theta energy: -147.865 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: 1 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1785.575381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.575381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.575381 (E_RNA) where: Base-Base interactions energy: -1250.458 where: short stacking energy: -521.130 Base-Backbone interact. energy: -1.754 local terms energy: -533.363134 where: bonds (distance) C4'-P energy: -93.552 bonds (distance) P-C4' energy: -109.074 flat angles C4'-P-C4' energy: -115.945 flat angles P-C4'-P energy: -69.274 tors. eta vs tors. theta energy: -145.518 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: 5, replica: 2 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1721.429251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.429251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.429251 (E_RNA) where: Base-Base interactions energy: -1200.054 where: short stacking energy: -484.113 Base-Backbone interact. energy: 2.041 local terms energy: -523.416338 where: bonds (distance) C4'-P energy: -87.355 bonds (distance) P-C4' energy: -111.275 flat angles C4'-P-C4' energy: -108.309 flat angles P-C4'-P energy: -78.755 tors. eta vs tors. theta energy: -137.723 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: 6, replica: 6 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1636.954980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.954980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.954980 (E_RNA) where: Base-Base interactions energy: -1127.175 where: short stacking energy: -483.416 Base-Backbone interact. energy: 0.842 local terms energy: -510.621775 where: bonds (distance) C4'-P energy: -91.842 bonds (distance) P-C4' energy: -106.396 flat angles C4'-P-C4' energy: -108.033 flat angles P-C4'-P energy: -69.649 tors. eta vs tors. theta energy: -134.702 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: 7, replica: 5 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1583.735942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.735942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.735942 (E_RNA) where: Base-Base interactions energy: -1104.529 where: short stacking energy: -456.428 Base-Backbone interact. energy: 0.766 local terms energy: -479.973325 where: bonds (distance) C4'-P energy: -93.324 bonds (distance) P-C4' energy: -101.447 flat angles C4'-P-C4' energy: -95.500 flat angles P-C4'-P energy: -68.319 tors. eta vs tors. theta energy: -121.384 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: 9 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1397.281194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.281194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.281194 (E_RNA) where: Base-Base interactions energy: -948.334 where: short stacking energy: -411.424 Base-Backbone interact. energy: -1.105 local terms energy: -447.842474 where: bonds (distance) C4'-P energy: -75.301 bonds (distance) P-C4' energy: -104.935 flat angles C4'-P-C4' energy: -99.317 flat angles P-C4'-P energy: -63.223 tors. eta vs tors. theta energy: -105.066 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: 9, replica: 7 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1190.091971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.091971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.091971 (E_RNA) where: Base-Base interactions energy: -767.516 where: short stacking energy: -325.385 Base-Backbone interact. energy: -0.170 local terms energy: -422.405863 where: bonds (distance) C4'-P energy: -84.902 bonds (distance) P-C4' energy: -104.335 flat angles C4'-P-C4' energy: -107.432 flat angles P-C4'-P energy: -58.347 tors. eta vs tors. theta energy: -67.389 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: 10, replica: 10 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -1085.869581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.869581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.869581 (E_RNA) where: Base-Base interactions energy: -718.780 where: short stacking energy: -324.454 Base-Backbone interact. energy: 2.654 local terms energy: -369.743667 where: bonds (distance) C4'-P energy: -74.363 bonds (distance) P-C4' energy: -95.170 flat angles C4'-P-C4' energy: -97.553 flat angles P-C4'-P energy: -54.875 tors. eta vs tors. theta energy: -47.782 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: 8 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1941.523557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.523557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.523557 (E_RNA) where: Base-Base interactions energy: -1355.531 where: short stacking energy: -561.283 Base-Backbone interact. energy: -1.491 local terms energy: -584.502088 where: bonds (distance) C4'-P energy: -100.929 bonds (distance) P-C4' energy: -113.307 flat angles C4'-P-C4' energy: -117.938 flat angles P-C4'-P energy: -89.795 tors. eta vs tors. theta energy: -162.532 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: 4 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1856.644020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.644020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.644020 (E_RNA) where: Base-Base interactions energy: -1297.639 where: short stacking energy: -530.661 Base-Backbone interact. energy: 6.805 local terms energy: -565.809929 where: bonds (distance) C4'-P energy: -100.183 bonds (distance) P-C4' energy: -108.698 flat angles C4'-P-C4' energy: -121.651 flat angles P-C4'-P energy: -80.847 tors. eta vs tors. theta energy: -154.431 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: 3 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1806.922437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.922437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.922437 (E_RNA) where: Base-Base interactions energy: -1268.547 where: short stacking energy: -524.544 Base-Backbone interact. energy: 4.436 local terms energy: -542.811288 where: bonds (distance) C4'-P energy: -97.731 bonds (distance) P-C4' energy: -109.801 flat angles C4'-P-C4' energy: -110.746 flat angles P-C4'-P energy: -78.600 tors. eta vs tors. theta energy: -145.933 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: 1 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1811.134461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.134461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.134461 (E_RNA) where: Base-Base interactions energy: -1258.533 where: short stacking energy: -497.885 Base-Backbone interact. energy: -3.009 local terms energy: -549.592686 where: bonds (distance) C4'-P energy: -96.113 bonds (distance) P-C4' energy: -109.308 flat angles C4'-P-C4' energy: -111.443 flat angles P-C4'-P energy: -82.570 tors. eta vs tors. theta energy: -150.159 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: 5, replica: 2 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1737.183568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.183568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.183568 (E_RNA) where: Base-Base interactions energy: -1193.168 where: short stacking energy: -518.728 Base-Backbone interact. energy: -0.324 local terms energy: -543.691440 where: bonds (distance) C4'-P energy: -99.876 bonds (distance) P-C4' energy: -106.739 flat angles C4'-P-C4' energy: -117.555 flat angles P-C4'-P energy: -64.041 tors. eta vs tors. theta energy: -155.480 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: 5 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1677.045201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.045201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.045201 (E_RNA) where: Base-Base interactions energy: -1157.788 where: short stacking energy: -498.869 Base-Backbone interact. energy: 0.013 local terms energy: -519.269847 where: bonds (distance) C4'-P energy: -91.459 bonds (distance) P-C4' energy: -107.954 flat angles C4'-P-C4' energy: -106.844 flat angles P-C4'-P energy: -78.124 tors. eta vs tors. theta energy: -134.889 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: 6 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1593.071175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.071175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.071175 (E_RNA) where: Base-Base interactions energy: -1095.959 where: short stacking energy: -452.406 Base-Backbone interact. energy: 0.207 local terms energy: -497.319256 where: bonds (distance) C4'-P energy: -85.157 bonds (distance) P-C4' energy: -109.876 flat angles C4'-P-C4' energy: -112.010 flat angles P-C4'-P energy: -66.664 tors. eta vs tors. theta energy: -123.612 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: 9 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1393.384876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.384876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.384876 (E_RNA) where: Base-Base interactions energy: -942.410 where: short stacking energy: -400.177 Base-Backbone interact. energy: 1.502 local terms energy: -452.477012 where: bonds (distance) C4'-P energy: -92.712 bonds (distance) P-C4' energy: -93.219 flat angles C4'-P-C4' energy: -99.598 flat angles P-C4'-P energy: -72.209 tors. eta vs tors. theta energy: -94.740 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: 9, replica: 7 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1172.213765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.213765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.213765 (E_RNA) where: Base-Base interactions energy: -765.944 where: short stacking energy: -351.920 Base-Backbone interact. energy: -0.290 local terms energy: -405.979420 where: bonds (distance) C4'-P energy: -84.522 bonds (distance) P-C4' energy: -99.173 flat angles C4'-P-C4' energy: -92.419 flat angles P-C4'-P energy: -64.003 tors. eta vs tors. theta energy: -65.863 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: 10, replica: 10 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -1101.774855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.774855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.774855 (E_RNA) where: Base-Base interactions energy: -702.465 where: short stacking energy: -317.449 Base-Backbone interact. energy: 0.973 local terms energy: -400.282809 where: bonds (distance) C4'-P energy: -73.748 bonds (distance) P-C4' energy: -111.979 flat angles C4'-P-C4' energy: -94.708 flat angles P-C4'-P energy: -57.151 tors. eta vs tors. theta energy: -62.697 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: 1, replica: 8 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1928.844667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.844667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.844667 (E_RNA) where: Base-Base interactions energy: -1349.789 where: short stacking energy: -549.041 Base-Backbone interact. energy: -1.624 local terms energy: -577.432065 where: bonds (distance) C4'-P energy: -103.134 bonds (distance) P-C4' energy: -116.085 flat angles C4'-P-C4' energy: -122.678 flat angles P-C4'-P energy: -82.336 tors. eta vs tors. theta energy: -153.199 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: 2, replica: 4 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1873.146203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.146203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.146203 (E_RNA) where: Base-Base interactions energy: -1317.548 where: short stacking energy: -542.316 Base-Backbone interact. energy: 0.482 local terms energy: -556.079403 where: bonds (distance) C4'-P energy: -99.713 bonds (distance) P-C4' energy: -109.770 flat angles C4'-P-C4' energy: -118.240 flat angles P-C4'-P energy: -71.709 tors. eta vs tors. theta energy: -156.647 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: 3 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1833.373743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.373743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.373743 (E_RNA) where: Base-Base interactions energy: -1277.786 where: short stacking energy: -534.573 Base-Backbone interact. energy: -3.518 local terms energy: -552.069983 where: bonds (distance) C4'-P energy: -94.337 bonds (distance) P-C4' energy: -115.250 flat angles C4'-P-C4' energy: -107.918 flat angles P-C4'-P energy: -82.311 tors. eta vs tors. theta energy: -152.254 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: 1 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1789.711916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.711916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.711916 (E_RNA) where: Base-Base interactions energy: -1263.241 where: short stacking energy: -517.240 Base-Backbone interact. energy: 5.561 local terms energy: -532.032712 where: bonds (distance) C4'-P energy: -91.913 bonds (distance) P-C4' energy: -110.815 flat angles C4'-P-C4' energy: -120.485 flat angles P-C4'-P energy: -69.964 tors. eta vs tors. theta energy: -138.857 Dist. restrs. and SS energy: 0.000 (S_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: 134 Temperature: 1.100000 Total energy: -1747.998787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.998787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.998787 (E_RNA) where: Base-Base interactions energy: -1229.013 where: short stacking energy: -511.194 Base-Backbone interact. energy: 1.189 local terms energy: -520.174823 where: bonds (distance) C4'-P energy: -94.432 bonds (distance) P-C4' energy: -94.097 flat angles C4'-P-C4' energy: -108.722 flat angles P-C4'-P energy: -79.242 tors. eta vs tors. theta energy: -143.682 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: 6, replica: 5 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1594.152960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.152960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.152960 (E_RNA) where: Base-Base interactions energy: -1106.494 where: short stacking energy: -439.439 Base-Backbone interact. energy: -2.404 local terms energy: -485.254514 where: bonds (distance) C4'-P energy: -85.959 bonds (distance) P-C4' energy: -109.481 flat angles C4'-P-C4' energy: -103.314 flat angles P-C4'-P energy: -64.826 tors. eta vs tors. theta energy: -121.674 Dist. restrs. and SS energy: 0.000 (S_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: 134 Temperature: 1.200000 Total energy: -1573.176949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.176949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.176949 (E_RNA) where: Base-Base interactions energy: -1099.545 where: short stacking energy: -450.275 Base-Backbone interact. energy: 2.073 local terms energy: -475.705087 where: bonds (distance) C4'-P energy: -84.425 bonds (distance) P-C4' energy: -98.969 flat angles C4'-P-C4' energy: -101.229 flat angles P-C4'-P energy: -72.042 tors. eta vs tors. theta energy: -119.040 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: 8, replica: 9 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1427.730206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.730206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.730206 (E_RNA) where: Base-Base interactions energy: -961.605 where: short stacking energy: -404.367 Base-Backbone interact. energy: -1.231 local terms energy: -464.894478 where: bonds (distance) C4'-P energy: -82.368 bonds (distance) P-C4' energy: -108.596 flat angles C4'-P-C4' energy: -111.135 flat angles P-C4'-P energy: -64.091 tors. eta vs tors. theta energy: -98.705 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: 10 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1115.530196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.530196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.530196 (E_RNA) where: Base-Base interactions energy: -711.259 where: short stacking energy: -320.347 Base-Backbone interact. energy: 4.561 local terms energy: -408.831545 where: bonds (distance) C4'-P energy: -88.152 bonds (distance) P-C4' energy: -97.362 flat angles C4'-P-C4' energy: -95.652 flat angles P-C4'-P energy: -65.262 tors. eta vs tors. theta energy: -62.404 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: 10, replica: 7 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -1167.418478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.418478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.418478 (E_RNA) where: Base-Base interactions energy: -787.198 where: short stacking energy: -346.678 Base-Backbone interact. energy: 3.579 local terms energy: -383.799539 where: bonds (distance) C4'-P energy: -71.180 bonds (distance) P-C4' energy: -101.959 flat angles C4'-P-C4' energy: -91.482 flat angles P-C4'-P energy: -52.336 tors. eta vs tors. theta energy: -66.844 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: 8 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1925.574140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.574140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.574140 (E_RNA) where: Base-Base interactions energy: -1360.837 where: short stacking energy: -562.151 Base-Backbone interact. energy: -0.113 local terms energy: -564.624660 where: bonds (distance) C4'-P energy: -103.418 bonds (distance) P-C4' energy: -113.042 flat angles C4'-P-C4' energy: -120.664 flat angles P-C4'-P energy: -69.754 tors. eta vs tors. theta energy: -157.746 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: 2, replica: 4 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1882.644711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.644711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.644711 (E_RNA) where: Base-Base interactions energy: -1323.637 where: short stacking energy: -530.981 Base-Backbone interact. energy: -2.100 local terms energy: -556.907377 where: bonds (distance) C4'-P energy: -91.480 bonds (distance) P-C4' energy: -112.465 flat angles C4'-P-C4' energy: -118.514 flat angles P-C4'-P energy: -78.232 tors. eta vs tors. theta energy: -156.217 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: 3, replica: 3 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1834.096353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.096353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.096353 (E_RNA) where: Base-Base interactions energy: -1267.927 where: short stacking energy: -517.564 Base-Backbone interact. energy: -0.548 local terms energy: -565.620676 where: bonds (distance) C4'-P energy: -101.773 bonds (distance) P-C4' energy: -117.285 flat angles C4'-P-C4' energy: -114.388 flat angles P-C4'-P energy: -84.026 tors. eta vs tors. theta energy: -148.148 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: 4, replica: 1 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1758.949180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.949180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.949180 (E_RNA) where: Base-Base interactions energy: -1241.319 where: short stacking energy: -495.374 Base-Backbone interact. energy: 1.973 local terms energy: -519.602871 where: bonds (distance) C4'-P energy: -92.333 bonds (distance) P-C4' energy: -104.211 flat angles C4'-P-C4' energy: -114.291 flat angles P-C4'-P energy: -72.967 tors. eta vs tors. theta energy: -135.801 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: 5, replica: 2 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1761.382784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.382784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.382784 (E_RNA) where: Base-Base interactions energy: -1240.311 where: short stacking energy: -501.337 Base-Backbone interact. energy: 0.069 local terms energy: -521.140990 where: bonds (distance) C4'-P energy: -89.633 bonds (distance) P-C4' energy: -98.906 flat angles C4'-P-C4' energy: -115.387 flat angles P-C4'-P energy: -76.197 tors. eta vs tors. theta energy: -141.019 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: 6, replica: 5 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1620.150590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.150590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.150590 (E_RNA) where: Base-Base interactions energy: -1126.047 where: short stacking energy: -467.760 Base-Backbone interact. energy: 2.338 local terms energy: -496.442031 where: bonds (distance) C4'-P energy: -88.213 bonds (distance) P-C4' energy: -105.326 flat angles C4'-P-C4' energy: -109.543 flat angles P-C4'-P energy: -70.550 tors. eta vs tors. theta energy: -122.810 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: 7, replica: 6 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1530.089052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.089052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.089052 (E_RNA) where: Base-Base interactions energy: -1031.401 where: short stacking energy: -453.999 Base-Backbone interact. energy: 1.028 local terms energy: -499.715885 where: bonds (distance) C4'-P energy: -81.725 bonds (distance) P-C4' energy: -109.789 flat angles C4'-P-C4' energy: -117.779 flat angles P-C4'-P energy: -66.538 tors. eta vs tors. theta energy: -123.884 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: 9 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1375.963220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.963220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.963220 (E_RNA) where: Base-Base interactions energy: -916.705 where: short stacking energy: -371.103 Base-Backbone interact. energy: 0.466 local terms energy: -459.724192 where: bonds (distance) C4'-P energy: -89.544 bonds (distance) P-C4' energy: -100.595 flat angles C4'-P-C4' energy: -112.152 flat angles P-C4'-P energy: -66.906 tors. eta vs tors. theta energy: -90.527 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: 9, replica: 10 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1120.702401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.702401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.702401 (E_RNA) where: Base-Base interactions energy: -718.133 where: short stacking energy: -314.891 Base-Backbone interact. energy: 3.155 local terms energy: -405.723714 where: bonds (distance) C4'-P energy: -95.727 bonds (distance) P-C4' energy: -98.276 flat angles C4'-P-C4' energy: -97.910 flat angles P-C4'-P energy: -62.403 tors. eta vs tors. theta energy: -51.408 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: 10, replica: 7 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -1136.804237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.804237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.804237 (E_RNA) where: Base-Base interactions energy: -746.349 where: short stacking energy: -322.233 Base-Backbone interact. energy: 6.271 local terms energy: -396.725869 where: bonds (distance) C4'-P energy: -83.988 bonds (distance) P-C4' energy: -86.113 flat angles C4'-P-C4' energy: -98.945 flat angles P-C4'-P energy: -58.622 tors. eta vs tors. theta energy: -69.057 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: 8 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1910.229027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.229027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.229027 (E_RNA) where: Base-Base interactions energy: -1342.063 where: short stacking energy: -545.390 Base-Backbone interact. energy: -0.891 local terms energy: -567.274414 where: bonds (distance) C4'-P energy: -97.960 bonds (distance) P-C4' energy: -113.103 flat angles C4'-P-C4' energy: -111.443 flat angles P-C4'-P energy: -90.013 tors. eta vs tors. theta energy: -154.756 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: 2, replica: 4 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1865.421912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.421912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.421912 (E_RNA) where: Base-Base interactions energy: -1305.712 where: short stacking energy: -536.783 Base-Backbone interact. energy: 0.654 local terms energy: -560.363244 where: bonds (distance) C4'-P energy: -100.021 bonds (distance) P-C4' energy: -111.435 flat angles C4'-P-C4' energy: -117.393 flat angles P-C4'-P energy: -77.070 tors. eta vs tors. theta energy: -154.444 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: 3, replica: 3 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1799.350322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.350322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.350322 (E_RNA) where: Base-Base interactions energy: -1255.618 where: short stacking energy: -518.708 Base-Backbone interact. energy: 0.649 local terms energy: -544.381052 where: bonds (distance) C4'-P energy: -92.641 bonds (distance) P-C4' energy: -117.695 flat angles C4'-P-C4' energy: -115.083 flat angles P-C4'-P energy: -75.912 tors. eta vs tors. theta energy: -143.051 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: 4, replica: 1 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1779.424077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.424077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.424077 (E_RNA) where: Base-Base interactions energy: -1254.880 where: short stacking energy: -510.069 Base-Backbone interact. energy: -0.462 local terms energy: -524.082125 where: bonds (distance) C4'-P energy: -87.318 bonds (distance) P-C4' energy: -108.747 flat angles C4'-P-C4' energy: -107.043 flat angles P-C4'-P energy: -74.968 tors. eta vs tors. theta energy: -146.006 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: 5 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1685.549126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.549126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.549126 (E_RNA) where: Base-Base interactions energy: -1171.525 where: short stacking energy: -498.664 Base-Backbone interact. energy: 1.820 local terms energy: -515.844354 where: bonds (distance) C4'-P energy: -83.463 bonds (distance) P-C4' energy: -112.986 flat angles C4'-P-C4' energy: -110.220 flat angles P-C4'-P energy: -81.027 tors. eta vs tors. theta energy: -128.149 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: 6, replica: 2 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1713.641806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.641806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.641806 (E_RNA) where: Base-Base interactions energy: -1196.069 where: short stacking energy: -478.100 Base-Backbone interact. energy: 2.337 local terms energy: -519.909848 where: bonds (distance) C4'-P energy: -89.055 bonds (distance) P-C4' energy: -115.805 flat angles C4'-P-C4' energy: -102.961 flat angles P-C4'-P energy: -83.448 tors. eta vs tors. theta energy: -128.641 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: 7, replica: 6 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1541.551498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.551498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.551498 (E_RNA) where: Base-Base interactions energy: -1067.060 where: short stacking energy: -457.525 Base-Backbone interact. energy: 3.726 local terms energy: -478.217522 where: bonds (distance) C4'-P energy: -82.744 bonds (distance) P-C4' energy: -115.576 flat angles C4'-P-C4' energy: -107.583 flat angles P-C4'-P energy: -59.344 tors. eta vs tors. theta energy: -112.971 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: 8, replica: 9 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1379.938306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.938306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.938306 (E_RNA) where: Base-Base interactions energy: -926.450 where: short stacking energy: -403.349 Base-Backbone interact. energy: -1.478 local terms energy: -452.010091 where: bonds (distance) C4'-P energy: -83.034 bonds (distance) P-C4' energy: -101.847 flat angles C4'-P-C4' energy: -111.110 flat angles P-C4'-P energy: -62.277 tors. eta vs tors. theta energy: -93.742 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: 10 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1166.599629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.599629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.599629 (E_RNA) where: Base-Base interactions energy: -740.231 where: short stacking energy: -333.425 Base-Backbone interact. energy: -0.019 local terms energy: -426.349301 where: bonds (distance) C4'-P energy: -81.329 bonds (distance) P-C4' energy: -108.841 flat angles C4'-P-C4' energy: -94.112 flat angles P-C4'-P energy: -56.629 tors. eta vs tors. theta energy: -85.439 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: 10, replica: 7 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -1094.617891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.617891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.617891 (E_RNA) where: Base-Base interactions energy: -720.827 where: short stacking energy: -317.170 Base-Backbone interact. energy: -0.585 local terms energy: -373.205932 where: bonds (distance) C4'-P energy: -82.084 bonds (distance) P-C4' energy: -92.060 flat angles C4'-P-C4' energy: -81.047 flat angles P-C4'-P energy: -55.126 tors. eta vs tors. theta energy: -62.889 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: 1, replica: 8 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1920.478044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.478044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.478044 (E_RNA) where: Base-Base interactions energy: -1341.460 where: short stacking energy: -545.044 Base-Backbone interact. energy: 2.423 local terms energy: -581.441382 where: bonds (distance) C4'-P energy: -106.032 bonds (distance) P-C4' energy: -118.792 flat angles C4'-P-C4' energy: -117.428 flat angles P-C4'-P energy: -84.190 tors. eta vs tors. theta energy: -154.999 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: 2, replica: 4 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1871.237383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.237383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.237383 (E_RNA) where: Base-Base interactions energy: -1310.113 where: short stacking energy: -534.517 Base-Backbone interact. energy: -0.534 local terms energy: -560.590097 where: bonds (distance) C4'-P energy: -95.044 bonds (distance) P-C4' energy: -109.989 flat angles C4'-P-C4' energy: -122.217 flat angles P-C4'-P energy: -78.402 tors. eta vs tors. theta energy: -154.939 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: 3, replica: 3 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1806.380568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.380568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.380568 (E_RNA) where: Base-Base interactions energy: -1279.517 where: short stacking energy: -526.920 Base-Backbone interact. energy: 0.495 local terms energy: -527.358632 where: bonds (distance) C4'-P energy: -102.574 bonds (distance) P-C4' energy: -109.449 flat angles C4'-P-C4' energy: -105.409 flat angles P-C4'-P energy: -71.527 tors. eta vs tors. theta energy: -138.399 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: 4, replica: 1 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1777.168020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.168020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.168020 (E_RNA) where: Base-Base interactions energy: -1239.235 where: short stacking energy: -500.088 Base-Backbone interact. energy: -3.055 local terms energy: -534.877767 where: bonds (distance) C4'-P energy: -102.316 bonds (distance) P-C4' energy: -106.897 flat angles C4'-P-C4' energy: -114.039 flat angles P-C4'-P energy: -80.300 tors. eta vs tors. theta energy: -131.326 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: 5, replica: 5 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1689.619526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.619526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.619526 (E_RNA) where: Base-Base interactions energy: -1190.205 where: short stacking energy: -493.771 Base-Backbone interact. energy: -1.759 local terms energy: -497.654908 where: bonds (distance) C4'-P energy: -79.934 bonds (distance) P-C4' energy: -108.720 flat angles C4'-P-C4' energy: -104.271 flat angles P-C4'-P energy: -72.335 tors. eta vs tors. theta energy: -132.395 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: 137 Temperature: 1.150000 Total energy: -1678.525824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.525824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.525824 (E_RNA) where: Base-Base interactions energy: -1171.454 where: short stacking energy: -480.743 Base-Backbone interact. energy: 3.212 local terms energy: -510.283377 where: bonds (distance) C4'-P energy: -87.155 bonds (distance) P-C4' energy: -97.777 flat angles C4'-P-C4' energy: -104.836 flat angles P-C4'-P energy: -83.916 tors. eta vs tors. theta energy: -136.599 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: 7, replica: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1536.729863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.729863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.729863 (E_RNA) where: Base-Base interactions energy: -1073.713 where: short stacking energy: -439.286 Base-Backbone interact. energy: -0.069 local terms energy: -462.948066 where: bonds (distance) C4'-P energy: -84.597 bonds (distance) P-C4' energy: -89.649 flat angles C4'-P-C4' energy: -102.712 flat angles P-C4'-P energy: -72.337 tors. eta vs tors. theta energy: -113.653 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: 8, replica: 9 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1376.943603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.943603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.943603 (E_RNA) where: Base-Base interactions energy: -957.847 where: short stacking energy: -400.991 Base-Backbone interact. energy: 3.830 local terms energy: -422.926348 where: bonds (distance) C4'-P energy: -69.209 bonds (distance) P-C4' energy: -102.444 flat angles C4'-P-C4' energy: -95.929 flat angles P-C4'-P energy: -64.629 tors. eta vs tors. theta energy: -90.715 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: 9, replica: 10 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1136.658711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.658711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.658711 (E_RNA) where: Base-Base interactions energy: -739.342 where: short stacking energy: -330.249 Base-Backbone interact. energy: -0.029 local terms energy: -397.287546 where: bonds (distance) C4'-P energy: -87.194 bonds (distance) P-C4' energy: -68.566 flat angles C4'-P-C4' energy: -98.252 flat angles P-C4'-P energy: -70.636 tors. eta vs tors. theta energy: -72.639 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: 10, replica: 7 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -1119.813304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.813304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.813304 (E_RNA) where: Base-Base interactions energy: -707.324 where: short stacking energy: -309.337 Base-Backbone interact. energy: 0.742 local terms energy: -413.231396 where: bonds (distance) C4'-P energy: -88.469 bonds (distance) P-C4' energy: -100.274 flat angles C4'-P-C4' energy: -103.326 flat angles P-C4'-P energy: -61.527 tors. eta vs tors. theta energy: -59.636 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: 1, replica: 8 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1906.126038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.126038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.126038 (E_RNA) where: Base-Base interactions energy: -1340.618 where: short stacking energy: -554.298 Base-Backbone interact. energy: 1.226 local terms energy: -566.733797 where: bonds (distance) C4'-P energy: -100.139 bonds (distance) P-C4' energy: -116.291 flat angles C4'-P-C4' energy: -113.086 flat angles P-C4'-P energy: -76.024 tors. eta vs tors. theta energy: -161.194 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: 2, replica: 4 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1866.112686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.112686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.112686 (E_RNA) where: Base-Base interactions energy: -1326.098 where: short stacking energy: -543.634 Base-Backbone interact. energy: -2.995 local terms energy: -537.019765 where: bonds (distance) C4'-P energy: -90.616 bonds (distance) P-C4' energy: -93.901 flat angles C4'-P-C4' energy: -113.006 flat angles P-C4'-P energy: -81.088 tors. eta vs tors. theta energy: -158.408 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: 138 Temperature: 1.000000 Total energy: -1797.030346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.030346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.030346 (E_RNA) where: Base-Base interactions energy: -1250.594 where: short stacking energy: -519.187 Base-Backbone interact. energy: 0.363 local terms energy: -546.799140 where: bonds (distance) C4'-P energy: -94.144 bonds (distance) P-C4' energy: -119.992 flat angles C4'-P-C4' energy: -107.967 flat angles P-C4'-P energy: -73.670 tors. eta vs tors. theta energy: -151.026 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: 4, replica: 1 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1789.281014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.281014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.281014 (E_RNA) where: Base-Base interactions energy: -1258.179 where: short stacking energy: -508.464 Base-Backbone interact. energy: 4.049 local terms energy: -535.150916 where: bonds (distance) C4'-P energy: -95.070 bonds (distance) P-C4' energy: -107.810 flat angles C4'-P-C4' energy: -109.617 flat angles P-C4'-P energy: -76.717 tors. eta vs tors. theta energy: -145.937 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: 5 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1650.525388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.525388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.525388 (E_RNA) where: Base-Base interactions energy: -1137.517 where: short stacking energy: -464.103 Base-Backbone interact. energy: 1.898 local terms energy: -514.907071 where: bonds (distance) C4'-P energy: -102.230 bonds (distance) P-C4' energy: -98.559 flat angles C4'-P-C4' energy: -113.614 flat angles P-C4'-P energy: -68.318 tors. eta vs tors. theta energy: -132.187 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: 6, replica: 2 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1741.480331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.480331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.480331 (E_RNA) where: Base-Base interactions energy: -1202.170 where: short stacking energy: -495.520 Base-Backbone interact. energy: -0.000 local terms energy: -539.309572 where: bonds (distance) C4'-P energy: -101.239 bonds (distance) P-C4' energy: -112.574 flat angles C4'-P-C4' energy: -103.857 flat angles P-C4'-P energy: -78.330 tors. eta vs tors. theta energy: -143.310 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: 9 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1403.023232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.023232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.023232 (E_RNA) where: Base-Base interactions energy: -975.035 where: short stacking energy: -419.194 Base-Backbone interact. energy: -1.667 local terms energy: -426.321328 where: bonds (distance) C4'-P energy: -87.312 bonds (distance) P-C4' energy: -90.234 flat angles C4'-P-C4' energy: -86.431 flat angles P-C4'-P energy: -72.458 tors. eta vs tors. theta energy: -89.886 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: 8, replica: 6 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1490.825030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.825030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.825030 (E_RNA) where: Base-Base interactions energy: -1038.162 where: short stacking energy: -428.441 Base-Backbone interact. energy: 2.750 local terms energy: -455.413053 where: bonds (distance) C4'-P energy: -93.486 bonds (distance) P-C4' energy: -90.351 flat angles C4'-P-C4' energy: -97.926 flat angles P-C4'-P energy: -63.957 tors. eta vs tors. theta energy: -109.693 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: 9, replica: 10 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1135.538530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.538530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.538530 (E_RNA) where: Base-Base interactions energy: -733.644 where: short stacking energy: -326.883 Base-Backbone interact. energy: -1.449 local terms energy: -400.445097 where: bonds (distance) C4'-P energy: -77.347 bonds (distance) P-C4' energy: -94.094 flat angles C4'-P-C4' energy: -89.778 flat angles P-C4'-P energy: -68.835 tors. eta vs tors. theta energy: -70.390 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: 10, replica: 7 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -1123.896971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.896971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.896971 (E_RNA) where: Base-Base interactions energy: -754.084 where: short stacking energy: -337.224 Base-Backbone interact. energy: 5.647 local terms energy: -375.459859 where: bonds (distance) C4'-P energy: -78.506 bonds (distance) P-C4' energy: -77.039 flat angles C4'-P-C4' energy: -98.343 flat angles P-C4'-P energy: -60.175 tors. eta vs tors. theta energy: -61.397 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: 8 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1934.731522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.731522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.731522 (E_RNA) where: Base-Base interactions energy: -1360.996 where: short stacking energy: -562.859 Base-Backbone interact. energy: 1.895 local terms energy: -575.631125 where: bonds (distance) C4'-P energy: -97.597 bonds (distance) P-C4' energy: -113.570 flat angles C4'-P-C4' energy: -120.765 flat angles P-C4'-P energy: -82.672 tors. eta vs tors. theta energy: -161.027 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: 4 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1871.290809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.290809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.290809 (E_RNA) where: Base-Base interactions energy: -1294.693 where: short stacking energy: -553.583 Base-Backbone interact. energy: -1.951 local terms energy: -574.647512 where: bonds (distance) C4'-P energy: -97.255 bonds (distance) P-C4' energy: -110.174 flat angles C4'-P-C4' energy: -120.919 flat angles P-C4'-P energy: -89.190 tors. eta vs tors. theta energy: -157.109 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: 3, replica: 3 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1844.386257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.386257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.386257 (E_RNA) where: Base-Base interactions energy: -1285.703 where: short stacking energy: -540.862 Base-Backbone interact. energy: -0.746 local terms energy: -557.937702 where: bonds (distance) C4'-P energy: -98.962 bonds (distance) P-C4' energy: -111.622 flat angles C4'-P-C4' energy: -117.518 flat angles P-C4'-P energy: -80.930 tors. eta vs tors. theta energy: -148.906 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: 4, replica: 1 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1758.142413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.142413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.142413 (E_RNA) where: Base-Base interactions energy: -1230.977 where: short stacking energy: -491.794 Base-Backbone interact. energy: -1.388 local terms energy: -525.776748 where: bonds (distance) C4'-P energy: -87.134 bonds (distance) P-C4' energy: -117.196 flat angles C4'-P-C4' energy: -106.522 flat angles P-C4'-P energy: -78.028 tors. eta vs tors. theta energy: -136.897 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: 5 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1637.364381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.364381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.364381 (E_RNA) where: Base-Base interactions energy: -1130.369 where: short stacking energy: -455.286 Base-Backbone interact. energy: 2.186 local terms energy: -509.181308 where: bonds (distance) C4'-P energy: -96.999 bonds (distance) P-C4' energy: -117.446 flat angles C4'-P-C4' energy: -104.282 flat angles P-C4'-P energy: -69.989 tors. eta vs tors. theta energy: -120.466 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: 6, replica: 2 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1760.350397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.350397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.350397 (E_RNA) where: Base-Base interactions energy: -1234.184 where: short stacking energy: -514.714 Base-Backbone interact. energy: -1.680 local terms energy: -524.485915 where: bonds (distance) C4'-P energy: -88.916 bonds (distance) P-C4' energy: -108.981 flat angles C4'-P-C4' energy: -105.823 flat angles P-C4'-P energy: -74.767 tors. eta vs tors. theta energy: -146.000 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: 7, replica: 9 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1479.211243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.211243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.211243 (E_RNA) where: Base-Base interactions energy: -997.827 where: short stacking energy: -427.322 Base-Backbone interact. energy: -2.309 local terms energy: -479.075859 where: bonds (distance) C4'-P energy: -89.202 bonds (distance) P-C4' energy: -105.612 flat angles C4'-P-C4' energy: -112.257 flat angles P-C4'-P energy: -56.387 tors. eta vs tors. theta energy: -115.618 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: 8, replica: 6 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1488.163664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.163664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.163664 (E_RNA) where: Base-Base interactions energy: -1031.339 where: short stacking energy: -437.037 Base-Backbone interact. energy: 0.644 local terms energy: -457.468297 where: bonds (distance) C4'-P energy: -81.214 bonds (distance) P-C4' energy: -97.216 flat angles C4'-P-C4' energy: -102.440 flat angles P-C4'-P energy: -64.556 tors. eta vs tors. theta energy: -112.042 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: 9, replica: 10 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -1151.428943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.428943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.428943 (E_RNA) where: Base-Base interactions energy: -718.751 where: short stacking energy: -322.630 Base-Backbone interact. energy: 1.484 local terms energy: -434.161571 where: bonds (distance) C4'-P energy: -103.617 bonds (distance) P-C4' energy: -112.866 flat angles C4'-P-C4' energy: -94.361 flat angles P-C4'-P energy: -59.040 tors. eta vs tors. theta energy: -64.278 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: 7 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -1133.306489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.306489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.306489 (E_RNA) where: Base-Base interactions energy: -733.089 where: short stacking energy: -328.549 Base-Backbone interact. energy: 3.617 local terms energy: -403.833610 where: bonds (distance) C4'-P energy: -95.356 bonds (distance) P-C4' energy: -98.346 flat angles C4'-P-C4' energy: -98.377 flat angles P-C4'-P energy: -47.165 tors. eta vs tors. theta energy: -64.590 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: 8 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1926.319676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.319676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.319676 (E_RNA) where: Base-Base interactions energy: -1345.173 where: short stacking energy: -548.824 Base-Backbone interact. energy: 0.538 local terms energy: -581.684318 where: bonds (distance) C4'-P energy: -98.462 bonds (distance) P-C4' energy: -118.587 flat angles C4'-P-C4' energy: -116.976 flat angles P-C4'-P energy: -89.923 tors. eta vs tors. theta energy: -157.737 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: 4 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1885.747141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.747141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.747141 (E_RNA) where: Base-Base interactions energy: -1321.055 where: short stacking energy: -532.309 Base-Backbone interact. energy: -0.216 local terms energy: -564.475994 where: bonds (distance) C4'-P energy: -99.197 bonds (distance) P-C4' energy: -118.767 flat angles C4'-P-C4' energy: -112.523 flat angles P-C4'-P energy: -76.001 tors. eta vs tors. theta energy: -157.988 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: 3, replica: 3 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1833.444278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.444278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.444278 (E_RNA) where: Base-Base interactions energy: -1282.674 where: short stacking energy: -524.142 Base-Backbone interact. energy: -2.658 local terms energy: -548.112896 where: bonds (distance) C4'-P energy: -96.557 bonds (distance) P-C4' energy: -112.173 flat angles C4'-P-C4' energy: -110.274 flat angles P-C4'-P energy: -83.978 tors. eta vs tors. theta energy: -145.130 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: 1 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1790.321541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.321541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.321541 (E_RNA) where: Base-Base interactions energy: -1260.614 where: short stacking energy: -518.671 Base-Backbone interact. energy: 2.504 local terms energy: -532.212189 where: bonds (distance) C4'-P energy: -88.174 bonds (distance) P-C4' energy: -113.741 flat angles C4'-P-C4' energy: -110.275 flat angles P-C4'-P energy: -74.477 tors. eta vs tors. theta energy: -145.546 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: 140 Temperature: 1.100000 Total energy: -1779.068828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.068828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.068828 (E_RNA) where: Base-Base interactions energy: -1228.414 where: short stacking energy: -503.903 Base-Backbone interact. energy: -1.969 local terms energy: -548.686244 where: bonds (distance) C4'-P energy: -96.575 bonds (distance) P-C4' energy: -106.906 flat angles C4'-P-C4' energy: -120.716 flat angles P-C4'-P energy: -76.083 tors. eta vs tors. theta energy: -148.406 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: 5 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1628.681000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.681000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.681000 (E_RNA) where: Base-Base interactions energy: -1132.611 where: short stacking energy: -443.710 Base-Backbone interact. energy: -0.676 local terms energy: -495.393952 where: bonds (distance) C4'-P energy: -95.363 bonds (distance) P-C4' energy: -113.304 flat angles C4'-P-C4' energy: -98.709 flat angles P-C4'-P energy: -64.975 tors. eta vs tors. theta energy: -123.043 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: 7, replica: 9 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1487.176744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.176744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.176744 (E_RNA) where: Base-Base interactions energy: -1006.976 where: short stacking energy: -419.727 Base-Backbone interact. energy: 1.788 local terms energy: -481.989012 where: bonds (distance) C4'-P energy: -84.421 bonds (distance) P-C4' energy: -115.794 flat angles C4'-P-C4' energy: -106.335 flat angles P-C4'-P energy: -68.496 tors. eta vs tors. theta energy: -106.943 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: 6 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1438.594093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.594093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.594093 (E_RNA) where: Base-Base interactions energy: -965.013 where: short stacking energy: -406.929 Base-Backbone interact. energy: 1.020 local terms energy: -474.601087 where: bonds (distance) C4'-P energy: -95.056 bonds (distance) P-C4' energy: -97.303 flat angles C4'-P-C4' energy: -108.322 flat angles P-C4'-P energy: -65.685 tors. eta vs tors. theta energy: -108.235 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: 7 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1114.456390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.456390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.456390 (E_RNA) where: Base-Base interactions energy: -709.255 where: short stacking energy: -321.003 Base-Backbone interact. energy: 0.137 local terms energy: -405.338883 where: bonds (distance) C4'-P energy: -83.435 bonds (distance) P-C4' energy: -108.608 flat angles C4'-P-C4' energy: -85.965 flat angles P-C4'-P energy: -60.661 tors. eta vs tors. theta energy: -66.670 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: 10 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -1113.482218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.482218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.482218 (E_RNA) where: Base-Base interactions energy: -725.679 where: short stacking energy: -332.396 Base-Backbone interact. energy: 5.875 local terms energy: -393.677986 where: bonds (distance) C4'-P energy: -85.640 bonds (distance) P-C4' energy: -88.391 flat angles C4'-P-C4' energy: -87.537 flat angles P-C4'-P energy: -65.344 tors. eta vs tors. theta energy: -66.767 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: 8 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1920.342796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.342796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.342796 (E_RNA) where: Base-Base interactions energy: -1348.333 where: short stacking energy: -549.026 Base-Backbone interact. energy: -0.842 local terms energy: -571.167426 where: bonds (distance) C4'-P energy: -105.231 bonds (distance) P-C4' energy: -107.951 flat angles C4'-P-C4' energy: -114.862 flat angles P-C4'-P energy: -85.273 tors. eta vs tors. theta energy: -157.851 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: 2, replica: 4 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1863.373176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.373176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.373176 (E_RNA) where: Base-Base interactions energy: -1300.953 where: short stacking energy: -529.978 Base-Backbone interact. energy: 0.719 local terms energy: -563.138955 where: bonds (distance) C4'-P energy: -96.433 bonds (distance) P-C4' energy: -111.551 flat angles C4'-P-C4' energy: -119.817 flat angles P-C4'-P energy: -79.374 tors. eta vs tors. theta energy: -155.965 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: 3, replica: 3 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1830.186763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.186763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.186763 (E_RNA) where: Base-Base interactions energy: -1263.113 where: short stacking energy: -521.997 Base-Backbone interact. energy: -2.423 local terms energy: -564.650940 where: bonds (distance) C4'-P energy: -98.830 bonds (distance) P-C4' energy: -114.196 flat angles C4'-P-C4' energy: -116.434 flat angles P-C4'-P energy: -86.018 tors. eta vs tors. theta energy: -149.172 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: 1 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1801.902548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.902548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.902548 (E_RNA) where: Base-Base interactions energy: -1252.298 where: short stacking energy: -524.262 Base-Backbone interact. energy: -1.147 local terms energy: -548.457390 where: bonds (distance) C4'-P energy: -99.216 bonds (distance) P-C4' energy: -114.210 flat angles C4'-P-C4' energy: -111.120 flat angles P-C4'-P energy: -76.829 tors. eta vs tors. theta energy: -147.082 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: 141 Temperature: 1.100000 Total energy: -1759.944981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.944981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.944981 (E_RNA) where: Base-Base interactions energy: -1219.461 where: short stacking energy: -505.862 Base-Backbone interact. energy: -1.117 local terms energy: -539.367299 where: bonds (distance) C4'-P energy: -92.129 bonds (distance) P-C4' energy: -109.468 flat angles C4'-P-C4' energy: -112.988 flat angles P-C4'-P energy: -76.905 tors. eta vs tors. theta energy: -147.877 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: 6, replica: 5 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1620.705138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.705138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.705138 (E_RNA) where: Base-Base interactions energy: -1111.245 where: short stacking energy: -460.076 Base-Backbone interact. energy: -2.188 local terms energy: -507.272617 where: bonds (distance) C4'-P energy: -85.477 bonds (distance) P-C4' energy: -117.900 flat angles C4'-P-C4' energy: -107.578 flat angles P-C4'-P energy: -66.138 tors. eta vs tors. theta energy: -130.179 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: 7, replica: 9 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1492.296207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.296207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.296207 (E_RNA) where: Base-Base interactions energy: -1017.825 where: short stacking energy: -424.457 Base-Backbone interact. energy: -0.015 local terms energy: -474.456240 where: bonds (distance) C4'-P energy: -88.412 bonds (distance) P-C4' energy: -90.240 flat angles C4'-P-C4' energy: -106.882 flat angles P-C4'-P energy: -83.869 tors. eta vs tors. theta energy: -105.053 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: 8, replica: 6 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1398.029472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.029472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.029472 (E_RNA) where: Base-Base interactions energy: -949.150 where: short stacking energy: -400.117 Base-Backbone interact. energy: 3.058 local terms energy: -451.937400 where: bonds (distance) C4'-P energy: -89.169 bonds (distance) P-C4' energy: -97.396 flat angles C4'-P-C4' energy: -104.392 flat angles P-C4'-P energy: -58.060 tors. eta vs tors. theta energy: -102.920 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: 9, replica: 7 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1148.068836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.068836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.068836 (E_RNA) where: Base-Base interactions energy: -722.740 where: short stacking energy: -321.228 Base-Backbone interact. energy: -0.835 local terms energy: -424.493758 where: bonds (distance) C4'-P energy: -98.929 bonds (distance) P-C4' energy: -106.066 flat angles C4'-P-C4' energy: -98.579 flat angles P-C4'-P energy: -61.224 tors. eta vs tors. theta energy: -59.694 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: 10, replica: 10 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -1095.952296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.952296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.952296 (E_RNA) where: Base-Base interactions energy: -701.801 where: short stacking energy: -329.966 Base-Backbone interact. energy: -0.302 local terms energy: -393.849334 where: bonds (distance) C4'-P energy: -80.793 bonds (distance) P-C4' energy: -100.899 flat angles C4'-P-C4' energy: -97.716 flat angles P-C4'-P energy: -52.714 tors. eta vs tors. theta energy: -61.728 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: 1, replica: 8 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1919.286257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.286257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.286257 (E_RNA) where: Base-Base interactions energy: -1345.651 where: short stacking energy: -552.482 Base-Backbone interact. energy: -0.001 local terms energy: -573.633630 where: bonds (distance) C4'-P energy: -105.983 bonds (distance) P-C4' energy: -117.419 flat angles C4'-P-C4' energy: -113.253 flat angles P-C4'-P energy: -78.067 tors. eta vs tors. theta energy: -158.913 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: 4 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1869.864781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.864781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.864781 (E_RNA) where: Base-Base interactions energy: -1312.615 where: short stacking energy: -530.373 Base-Backbone interact. energy: -1.007 local terms energy: -556.242492 where: bonds (distance) C4'-P energy: -92.741 bonds (distance) P-C4' energy: -107.600 flat angles C4'-P-C4' energy: -118.559 flat angles P-C4'-P energy: -80.328 tors. eta vs tors. theta energy: -157.015 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: 3, replica: 1 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1832.767629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.767629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.767629 (E_RNA) where: Base-Base interactions energy: -1290.941 where: short stacking energy: -530.404 Base-Backbone interact. energy: 2.892 local terms energy: -544.718318 where: bonds (distance) C4'-P energy: -101.173 bonds (distance) P-C4' energy: -104.301 flat angles C4'-P-C4' energy: -110.640 flat angles P-C4'-P energy: -78.443 tors. eta vs tors. theta energy: -150.162 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: 3 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1832.389619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.389619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.389619 (E_RNA) where: Base-Base interactions energy: -1288.428 where: short stacking energy: -535.592 Base-Backbone interact. energy: -0.737 local terms energy: -543.224982 where: bonds (distance) C4'-P energy: -93.184 bonds (distance) P-C4' energy: -112.950 flat angles C4'-P-C4' energy: -107.683 flat angles P-C4'-P energy: -77.013 tors. eta vs tors. theta energy: -152.395 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: 5, replica: 2 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1759.032736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.032736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.032736 (E_RNA) where: Base-Base interactions energy: -1225.387 where: short stacking energy: -499.923 Base-Backbone interact. energy: 0.318 local terms energy: -533.964081 where: bonds (distance) C4'-P energy: -89.556 bonds (distance) P-C4' energy: -110.920 flat angles C4'-P-C4' energy: -112.613 flat angles P-C4'-P energy: -78.175 tors. eta vs tors. theta energy: -142.700 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: 6, replica: 5 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1614.544511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.544511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.544511 (E_RNA) where: Base-Base interactions energy: -1142.006 where: short stacking energy: -461.341 Base-Backbone interact. energy: -0.482 local terms energy: -472.055943 where: bonds (distance) C4'-P energy: -82.425 bonds (distance) P-C4' energy: -92.436 flat angles C4'-P-C4' energy: -106.537 flat angles P-C4'-P energy: -67.137 tors. eta vs tors. theta energy: -123.520 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: 7, replica: 9 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1487.567493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.567493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.567493 (E_RNA) where: Base-Base interactions energy: -1005.657 where: short stacking energy: -426.960 Base-Backbone interact. energy: -1.758 local terms energy: -480.152900 where: bonds (distance) C4'-P energy: -86.815 bonds (distance) P-C4' energy: -104.912 flat angles C4'-P-C4' energy: -104.191 flat angles P-C4'-P energy: -74.478 tors. eta vs tors. theta energy: -109.757 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: 6 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1424.776977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.776977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.776977 (E_RNA) where: Base-Base interactions energy: -963.492 where: short stacking energy: -409.344 Base-Backbone interact. energy: 0.141 local terms energy: -461.425554 where: bonds (distance) C4'-P energy: -83.200 bonds (distance) P-C4' energy: -108.590 flat angles C4'-P-C4' energy: -91.428 flat angles P-C4'-P energy: -69.588 tors. eta vs tors. theta energy: -108.620 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: 10 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1146.461251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.461251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.461251 (E_RNA) where: Base-Base interactions energy: -722.613 where: short stacking energy: -324.741 Base-Backbone interact. energy: 2.994 local terms energy: -426.841794 where: bonds (distance) C4'-P energy: -90.444 bonds (distance) P-C4' energy: -96.384 flat angles C4'-P-C4' energy: -104.079 flat angles P-C4'-P energy: -67.379 tors. eta vs tors. theta energy: -68.556 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: 10, replica: 7 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -1107.592610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.592610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.592610 (E_RNA) where: Base-Base interactions energy: -685.987 where: short stacking energy: -314.441 Base-Backbone interact. energy: 1.752 local terms energy: -423.357707 where: bonds (distance) C4'-P energy: -87.179 bonds (distance) P-C4' energy: -107.822 flat angles C4'-P-C4' energy: -100.276 flat angles P-C4'-P energy: -65.236 tors. eta vs tors. theta energy: -62.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1930.641170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.641170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.641170 (E_RNA) where: Base-Base interactions energy: -1359.339 where: short stacking energy: -554.434 Base-Backbone interact. energy: -0.342 local terms energy: -570.959638 where: bonds (distance) C4'-P energy: -101.606 bonds (distance) P-C4' energy: -111.101 flat angles C4'-P-C4' energy: -116.318 flat angles P-C4'-P energy: -75.055 tors. eta vs tors. theta energy: -166.879 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: 2, replica: 4 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1890.551894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.551894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.551894 (E_RNA) where: Base-Base interactions energy: -1324.854 where: short stacking energy: -539.026 Base-Backbone interact. energy: 0.277 local terms energy: -565.975436 where: bonds (distance) C4'-P energy: -97.821 bonds (distance) P-C4' energy: -102.618 flat angles C4'-P-C4' energy: -118.310 flat angles P-C4'-P energy: -86.859 tors. eta vs tors. theta energy: -160.368 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: 3, replica: 1 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1864.914465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.914465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.914465 (E_RNA) where: Base-Base interactions energy: -1330.219 where: short stacking energy: -542.840 Base-Backbone interact. energy: 3.141 local terms energy: -537.836445 where: bonds (distance) C4'-P energy: -88.789 bonds (distance) P-C4' energy: -111.193 flat angles C4'-P-C4' energy: -114.999 flat angles P-C4'-P energy: -70.500 tors. eta vs tors. theta energy: -152.356 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: 2 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1766.656586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.656586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.656586 (E_RNA) where: Base-Base interactions energy: -1218.024 where: short stacking energy: -504.883 Base-Backbone interact. energy: -1.776 local terms energy: -546.856421 where: bonds (distance) C4'-P energy: -96.680 bonds (distance) P-C4' energy: -108.838 flat angles C4'-P-C4' energy: -118.972 flat angles P-C4'-P energy: -72.370 tors. eta vs tors. theta energy: -149.996 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: 5, replica: 3 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1775.610934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.610934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.610934 (E_RNA) where: Base-Base interactions energy: -1247.606 where: short stacking energy: -527.140 Base-Backbone interact. energy: -0.936 local terms energy: -527.069219 where: bonds (distance) C4'-P energy: -98.324 bonds (distance) P-C4' energy: -98.344 flat angles C4'-P-C4' energy: -105.773 flat angles P-C4'-P energy: -67.534 tors. eta vs tors. theta energy: -157.094 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: 6, replica: 5 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1608.285050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.285050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.285050 (E_RNA) where: Base-Base interactions energy: -1132.901 where: short stacking energy: -463.246 Base-Backbone interact. energy: 4.709 local terms energy: -480.093066 where: bonds (distance) C4'-P energy: -98.425 bonds (distance) P-C4' energy: -94.832 flat angles C4'-P-C4' energy: -101.587 flat angles P-C4'-P energy: -62.572 tors. eta vs tors. theta energy: -122.677 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: 7, replica: 9 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1467.216410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.216410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.216410 (E_RNA) where: Base-Base interactions energy: -1001.079 where: short stacking energy: -422.297 Base-Backbone interact. energy: 0.896 local terms energy: -467.032620 where: bonds (distance) C4'-P energy: -87.540 bonds (distance) P-C4' energy: -103.570 flat angles C4'-P-C4' energy: -108.952 flat angles P-C4'-P energy: -61.734 tors. eta vs tors. theta energy: -105.237 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: 8, replica: 6 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1450.536357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.536357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.536357 (E_RNA) where: Base-Base interactions energy: -974.612 where: short stacking energy: -393.666 Base-Backbone interact. energy: -0.078 local terms energy: -475.846102 where: bonds (distance) C4'-P energy: -102.595 bonds (distance) P-C4' energy: -109.943 flat angles C4'-P-C4' energy: -102.541 flat angles P-C4'-P energy: -62.744 tors. eta vs tors. theta energy: -98.022 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: 10 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -1134.816283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.816283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.816283 (E_RNA) where: Base-Base interactions energy: -706.814 where: short stacking energy: -310.684 Base-Backbone interact. energy: 0.776 local terms energy: -428.777714 where: bonds (distance) C4'-P energy: -90.124 bonds (distance) P-C4' energy: -102.008 flat angles C4'-P-C4' energy: -100.456 flat angles P-C4'-P energy: -63.347 tors. eta vs tors. theta energy: -72.843 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: 10, replica: 7 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -1118.429465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.429465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.429465 (E_RNA) where: Base-Base interactions energy: -727.402 where: short stacking energy: -309.611 Base-Backbone interact. energy: 4.055 local terms energy: -395.082568 where: bonds (distance) C4'-P energy: -78.682 bonds (distance) P-C4' energy: -111.762 flat angles C4'-P-C4' energy: -92.528 flat angles P-C4'-P energy: -60.794 tors. eta vs tors. theta energy: -51.316 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: 1, replica: 8 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1917.622641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.622641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.622641 (E_RNA) where: Base-Base interactions energy: -1352.150 where: short stacking energy: -557.870 Base-Backbone interact. energy: 1.707 local terms energy: -567.180328 where: bonds (distance) C4'-P energy: -96.290 bonds (distance) P-C4' energy: -112.033 flat angles C4'-P-C4' energy: -125.180 flat angles P-C4'-P energy: -74.288 tors. eta vs tors. theta energy: -159.389 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: 2, replica: 4 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1848.781324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.781324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.781324 (E_RNA) where: Base-Base interactions energy: -1310.591 where: short stacking energy: -524.327 Base-Backbone interact. energy: -1.741 local terms energy: -536.449037 where: bonds (distance) C4'-P energy: -85.378 bonds (distance) P-C4' energy: -119.047 flat angles C4'-P-C4' energy: -112.780 flat angles P-C4'-P energy: -82.626 tors. eta vs tors. theta energy: -136.618 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: 3, replica: 1 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1852.210725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.210725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.210725 (E_RNA) where: Base-Base interactions energy: -1304.583 where: short stacking energy: -530.623 Base-Backbone interact. energy: 4.271 local terms energy: -551.898587 where: bonds (distance) C4'-P energy: -96.281 bonds (distance) P-C4' energy: -110.627 flat angles C4'-P-C4' energy: -110.517 flat angles P-C4'-P energy: -77.594 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: 4, replica: 2 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1757.970330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.970330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.970330 (E_RNA) where: Base-Base interactions energy: -1220.624 where: short stacking energy: -504.821 Base-Backbone interact. energy: 0.312 local terms energy: -537.658396 where: bonds (distance) C4'-P energy: -95.778 bonds (distance) P-C4' energy: -110.745 flat angles C4'-P-C4' energy: -115.960 flat angles P-C4'-P energy: -75.822 tors. eta vs tors. theta energy: -139.354 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: 5, replica: 3 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1756.538795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.538795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.538795 (E_RNA) where: Base-Base interactions energy: -1243.216 where: short stacking energy: -516.914 Base-Backbone interact. energy: 2.632 local terms energy: -515.954630 where: bonds (distance) C4'-P energy: -98.450 bonds (distance) P-C4' energy: -103.962 flat angles C4'-P-C4' energy: -103.287 flat angles P-C4'-P energy: -64.150 tors. eta vs tors. theta energy: -146.106 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: 6, replica: 5 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1608.443826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.443826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.443826 (E_RNA) where: Base-Base interactions energy: -1110.162 where: short stacking energy: -452.886 Base-Backbone interact. energy: -1.866 local terms energy: -496.416187 where: bonds (distance) C4'-P energy: -80.003 bonds (distance) P-C4' energy: -122.651 flat angles C4'-P-C4' energy: -114.613 flat angles P-C4'-P energy: -56.162 tors. eta vs tors. theta energy: -122.987 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: 7, replica: 9 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1488.164965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.164965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.164965 (E_RNA) where: Base-Base interactions energy: -1008.440 where: short stacking energy: -434.444 Base-Backbone interact. energy: -0.844 local terms energy: -478.880575 where: bonds (distance) C4'-P energy: -93.472 bonds (distance) P-C4' energy: -97.679 flat angles C4'-P-C4' energy: -113.263 flat angles P-C4'-P energy: -68.293 tors. eta vs tors. theta energy: -106.173 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: 6 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1424.264857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.264857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.264857 (E_RNA) where: Base-Base interactions energy: -976.082 where: short stacking energy: -418.249 Base-Backbone interact. energy: 5.227 local terms energy: -453.409645 where: bonds (distance) C4'-P energy: -97.050 bonds (distance) P-C4' energy: -101.801 flat angles C4'-P-C4' energy: -93.487 flat angles P-C4'-P energy: -57.160 tors. eta vs tors. theta energy: -103.912 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: 10 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1152.001558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.001558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.001558 (E_RNA) where: Base-Base interactions energy: -741.013 where: short stacking energy: -331.979 Base-Backbone interact. energy: -0.060 local terms energy: -410.928225 where: bonds (distance) C4'-P energy: -103.287 bonds (distance) P-C4' energy: -97.329 flat angles C4'-P-C4' energy: -77.721 flat angles P-C4'-P energy: -60.455 tors. eta vs tors. theta energy: -72.137 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: 7 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -1104.143281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.143281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.143281 (E_RNA) where: Base-Base interactions energy: -719.020 where: short stacking energy: -328.094 Base-Backbone interact. energy: 0.941 local terms energy: -386.063922 where: bonds (distance) C4'-P energy: -83.737 bonds (distance) P-C4' energy: -98.685 flat angles C4'-P-C4' energy: -87.102 flat angles P-C4'-P energy: -51.756 tors. eta vs tors. theta energy: -64.784 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: 1, replica: 8 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1915.267186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.267186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.267186 (E_RNA) where: Base-Base interactions energy: -1328.834 where: short stacking energy: -564.604 Base-Backbone interact. energy: 1.532 local terms energy: -587.964902 where: bonds (distance) C4'-P energy: -107.184 bonds (distance) P-C4' energy: -117.647 flat angles C4'-P-C4' energy: -113.133 flat angles P-C4'-P energy: -86.293 tors. eta vs tors. theta energy: -163.709 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: 2, replica: 1 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1888.863461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.863461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.863461 (E_RNA) where: Base-Base interactions energy: -1344.849 where: short stacking energy: -553.401 Base-Backbone interact. energy: 1.964 local terms energy: -545.978500 where: bonds (distance) C4'-P energy: -99.766 bonds (distance) P-C4' energy: -108.082 flat angles C4'-P-C4' energy: -105.235 flat angles P-C4'-P energy: -80.720 tors. eta vs tors. theta energy: -152.174 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: 4 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1816.453952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.453952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.453952 (E_RNA) where: Base-Base interactions energy: -1279.075 where: short stacking energy: -530.003 Base-Backbone interact. energy: -2.074 local terms energy: -535.304256 where: bonds (distance) C4'-P energy: -91.802 bonds (distance) P-C4' energy: -112.745 flat angles C4'-P-C4' energy: -105.479 flat angles P-C4'-P energy: -78.307 tors. eta vs tors. theta energy: -146.971 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: 4, replica: 2 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1745.710817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.710817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.710817 (E_RNA) where: Base-Base interactions energy: -1232.284 where: short stacking energy: -516.517 Base-Backbone interact. energy: -0.182 local terms energy: -513.244985 where: bonds (distance) C4'-P energy: -83.293 bonds (distance) P-C4' energy: -94.882 flat angles C4'-P-C4' energy: -115.108 flat angles P-C4'-P energy: -74.675 tors. eta vs tors. theta energy: -145.287 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: 3 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1761.951263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.951263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.951263 (E_RNA) where: Base-Base interactions energy: -1238.611 where: short stacking energy: -511.487 Base-Backbone interact. energy: 0.211 local terms energy: -523.550990 where: bonds (distance) C4'-P energy: -88.879 bonds (distance) P-C4' energy: -117.646 flat angles C4'-P-C4' energy: -106.495 flat angles P-C4'-P energy: -68.710 tors. eta vs tors. theta energy: -141.821 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: 5 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1636.460300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.460300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.460300 (E_RNA) where: Base-Base interactions energy: -1125.656 where: short stacking energy: -464.414 Base-Backbone interact. energy: -1.872 local terms energy: -508.932335 where: bonds (distance) C4'-P energy: -88.586 bonds (distance) P-C4' energy: -108.450 flat angles C4'-P-C4' energy: -111.715 flat angles P-C4'-P energy: -72.661 tors. eta vs tors. theta energy: -127.521 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: 7, replica: 9 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1463.680879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.680879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.680879 (E_RNA) where: Base-Base interactions energy: -999.031 where: short stacking energy: -425.320 Base-Backbone interact. energy: 4.873 local terms energy: -469.523205 where: bonds (distance) C4'-P energy: -101.158 bonds (distance) P-C4' energy: -104.359 flat angles C4'-P-C4' energy: -95.543 flat angles P-C4'-P energy: -70.278 tors. eta vs tors. theta energy: -98.186 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: 6 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1404.576670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.576670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.576670 (E_RNA) where: Base-Base interactions energy: -961.194 where: short stacking energy: -409.775 Base-Backbone interact. energy: 1.427 local terms energy: -444.809076 where: bonds (distance) C4'-P energy: -83.584 bonds (distance) P-C4' energy: -92.501 flat angles C4'-P-C4' energy: -105.061 flat angles P-C4'-P energy: -57.430 tors. eta vs tors. theta energy: -106.233 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: 9, replica: 10 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1187.402857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.402857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.402857 (E_RNA) where: Base-Base interactions energy: -792.404 where: short stacking energy: -351.167 Base-Backbone interact. energy: 0.234 local terms energy: -395.232778 where: bonds (distance) C4'-P energy: -91.813 bonds (distance) P-C4' energy: -90.872 flat angles C4'-P-C4' energy: -82.838 flat angles P-C4'-P energy: -55.994 tors. eta vs tors. theta energy: -73.715 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: 10, replica: 7 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -1112.403765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.403765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.403765 (E_RNA) where: Base-Base interactions energy: -725.805 where: short stacking energy: -326.767 Base-Backbone interact. energy: -0.372 local terms energy: -386.226251 where: bonds (distance) C4'-P energy: -79.460 bonds (distance) P-C4' energy: -96.895 flat angles C4'-P-C4' energy: -86.604 flat angles P-C4'-P energy: -60.562 tors. eta vs tors. theta energy: -62.705 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: 1, replica: 8 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1908.300999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.300999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.300999 (E_RNA) where: Base-Base interactions energy: -1323.735 where: short stacking energy: -545.859 Base-Backbone interact. energy: 1.210 local terms energy: -585.775963 where: bonds (distance) C4'-P energy: -103.039 bonds (distance) P-C4' energy: -119.364 flat angles C4'-P-C4' energy: -121.934 flat angles P-C4'-P energy: -84.573 tors. eta vs tors. theta energy: -156.866 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: 2, replica: 1 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1888.658122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.658122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.658122 (E_RNA) where: Base-Base interactions energy: -1319.023 where: short stacking energy: -539.972 Base-Backbone interact. energy: -0.627 local terms energy: -569.007999 where: bonds (distance) C4'-P energy: -99.421 bonds (distance) P-C4' energy: -111.606 flat angles C4'-P-C4' energy: -118.272 flat angles P-C4'-P energy: -89.008 tors. eta vs tors. theta energy: -150.701 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: 146 Temperature: 1.000000 Total energy: -1833.249140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.249140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.249140 (E_RNA) where: Base-Base interactions energy: -1300.516 where: short stacking energy: -517.455 Base-Backbone interact. energy: -2.580 local terms energy: -530.152884 where: bonds (distance) C4'-P energy: -76.855 bonds (distance) P-C4' energy: -108.222 flat angles C4'-P-C4' energy: -123.005 flat angles P-C4'-P energy: -78.049 tors. eta vs tors. theta energy: -144.021 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: 4, replica: 2 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1772.922780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.922780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.922780 (E_RNA) where: Base-Base interactions energy: -1259.503 where: short stacking energy: -508.823 Base-Backbone interact. energy: 1.856 local terms energy: -515.275449 where: bonds (distance) C4'-P energy: -86.945 bonds (distance) P-C4' energy: -98.671 flat angles C4'-P-C4' energy: -115.486 flat angles P-C4'-P energy: -68.707 tors. eta vs tors. theta energy: -145.466 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: 3 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1727.038980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.038980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.038980 (E_RNA) where: Base-Base interactions energy: -1216.077 where: short stacking energy: -515.884 Base-Backbone interact. energy: -1.894 local terms energy: -509.068212 where: bonds (distance) C4'-P energy: -98.836 bonds (distance) P-C4' energy: -100.822 flat angles C4'-P-C4' energy: -105.853 flat angles P-C4'-P energy: -69.836 tors. eta vs tors. theta energy: -133.722 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: 5 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1613.613618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.613618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.613618 (E_RNA) where: Base-Base interactions energy: -1130.482 where: short stacking energy: -460.417 Base-Backbone interact. energy: -2.219 local terms energy: -480.912722 where: bonds (distance) C4'-P energy: -84.453 bonds (distance) P-C4' energy: -100.682 flat angles C4'-P-C4' energy: -106.203 flat angles P-C4'-P energy: -67.513 tors. eta vs tors. theta energy: -122.061 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: 7, replica: 9 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1496.996212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.996212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.996212 (E_RNA) where: Base-Base interactions energy: -1044.426 where: short stacking energy: -433.193 Base-Backbone interact. energy: 0.004 local terms energy: -452.573965 where: bonds (distance) C4'-P energy: -83.710 bonds (distance) P-C4' energy: -96.852 flat angles C4'-P-C4' energy: -99.453 flat angles P-C4'-P energy: -68.107 tors. eta vs tors. theta energy: -104.452 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: 8, replica: 6 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1396.022630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.022630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.022630 (E_RNA) where: Base-Base interactions energy: -949.158 where: short stacking energy: -407.146 Base-Backbone interact. energy: 1.779 local terms energy: -448.644187 where: bonds (distance) C4'-P energy: -90.440 bonds (distance) P-C4' energy: -109.508 flat angles C4'-P-C4' energy: -87.254 flat angles P-C4'-P energy: -63.546 tors. eta vs tors. theta energy: -97.897 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: 10 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1127.728260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.728260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.728260 (E_RNA) where: Base-Base interactions energy: -718.100 where: short stacking energy: -320.790 Base-Backbone interact. energy: 5.149 local terms energy: -414.777173 where: bonds (distance) C4'-P energy: -97.495 bonds (distance) P-C4' energy: -111.701 flat angles C4'-P-C4' energy: -89.433 flat angles P-C4'-P energy: -49.651 tors. eta vs tors. theta energy: -66.497 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: 7 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -1134.463083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.463083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.463083 (E_RNA) where: Base-Base interactions energy: -721.718 where: short stacking energy: -312.742 Base-Backbone interact. energy: 0.154 local terms energy: -412.898691 where: bonds (distance) C4'-P energy: -90.756 bonds (distance) P-C4' energy: -93.395 flat angles C4'-P-C4' energy: -89.504 flat angles P-C4'-P energy: -67.000 tors. eta vs tors. theta energy: -72.244 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: 1, replica: 8 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1905.936467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.936467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.936467 (E_RNA) where: Base-Base interactions energy: -1337.443 where: short stacking energy: -558.184 Base-Backbone interact. energy: -1.353 local terms energy: -567.140461 where: bonds (distance) C4'-P energy: -106.169 bonds (distance) P-C4' energy: -103.593 flat angles C4'-P-C4' energy: -115.764 flat angles P-C4'-P energy: -80.769 tors. eta vs tors. theta energy: -160.846 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: 147 Temperature: 0.950000 Total energy: -1866.058351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.058351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.058351 (E_RNA) where: Base-Base interactions energy: -1306.496 where: short stacking energy: -530.116 Base-Backbone interact. energy: 0.161 local terms energy: -559.723745 where: bonds (distance) C4'-P energy: -99.423 bonds (distance) P-C4' energy: -118.801 flat angles C4'-P-C4' energy: -109.890 flat angles P-C4'-P energy: -79.940 tors. eta vs tors. theta energy: -151.669 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: 3, replica: 4 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1845.919878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.919878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.919878 (E_RNA) where: Base-Base interactions energy: -1287.912 where: short stacking energy: -524.960 Base-Backbone interact. energy: -2.757 local terms energy: -555.251560 where: bonds (distance) C4'-P energy: -102.102 bonds (distance) P-C4' energy: -101.364 flat angles C4'-P-C4' energy: -118.263 flat angles P-C4'-P energy: -77.300 tors. eta vs tors. theta energy: -156.222 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: 3 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1773.939275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.939275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.939275 (E_RNA) where: Base-Base interactions energy: -1225.399 where: short stacking energy: -520.731 Base-Backbone interact. energy: 0.116 local terms energy: -548.656649 where: bonds (distance) C4'-P energy: -88.419 bonds (distance) P-C4' energy: -111.923 flat angles C4'-P-C4' energy: -110.252 flat angles P-C4'-P energy: -81.479 tors. eta vs tors. theta energy: -156.583 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: 2 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1728.632598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.632598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.632598 (E_RNA) where: Base-Base interactions energy: -1217.836 where: short stacking energy: -506.805 Base-Backbone interact. energy: 3.564 local terms energy: -514.359835 where: bonds (distance) C4'-P energy: -84.742 bonds (distance) P-C4' energy: -105.885 flat angles C4'-P-C4' energy: -113.848 flat angles P-C4'-P energy: -76.852 tors. eta vs tors. theta energy: -133.033 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: 147 Temperature: 1.150000 Total energy: -1616.571243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.571243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.571243 (E_RNA) where: Base-Base interactions energy: -1118.602 where: short stacking energy: -442.630 Base-Backbone interact. energy: 4.239 local terms energy: -502.208202 where: bonds (distance) C4'-P energy: -87.297 bonds (distance) P-C4' energy: -116.795 flat angles C4'-P-C4' energy: -105.522 flat angles P-C4'-P energy: -73.875 tors. eta vs tors. theta energy: -118.721 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: 7, replica: 9 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1454.044369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.044369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.044369 (E_RNA) where: Base-Base interactions energy: -1010.849 where: short stacking energy: -414.935 Base-Backbone interact. energy: 1.765 local terms energy: -444.960103 where: bonds (distance) C4'-P energy: -76.919 bonds (distance) P-C4' energy: -102.469 flat angles C4'-P-C4' energy: -91.770 flat angles P-C4'-P energy: -67.440 tors. eta vs tors. theta energy: -106.361 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: 147 Temperature: 1.250000 Total energy: -1381.214046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.214046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.214046 (E_RNA) where: Base-Base interactions energy: -941.471 where: short stacking energy: -405.677 Base-Backbone interact. energy: -1.346 local terms energy: -438.397168 where: bonds (distance) C4'-P energy: -63.758 bonds (distance) P-C4' energy: -104.205 flat angles C4'-P-C4' energy: -104.234 flat angles P-C4'-P energy: -75.980 tors. eta vs tors. theta energy: -90.221 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: 9, replica: 10 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1168.569756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.569756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.569756 (E_RNA) where: Base-Base interactions energy: -748.603 where: short stacking energy: -343.447 Base-Backbone interact. energy: -1.152 local terms energy: -418.814888 where: bonds (distance) C4'-P energy: -87.965 bonds (distance) P-C4' energy: -101.184 flat angles C4'-P-C4' energy: -91.730 flat angles P-C4'-P energy: -67.214 tors. eta vs tors. theta energy: -70.723 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: 10, replica: 7 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -1099.429050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.429050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.429050 (E_RNA) where: Base-Base interactions energy: -711.370 where: short stacking energy: -310.355 Base-Backbone interact. energy: 2.685 local terms energy: -390.743531 where: bonds (distance) C4'-P energy: -89.074 bonds (distance) P-C4' energy: -97.109 flat angles C4'-P-C4' energy: -81.314 flat angles P-C4'-P energy: -65.909 tors. eta vs tors. theta energy: -57.338 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: 8 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1929.961602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.961602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.961602 (E_RNA) where: Base-Base interactions energy: -1368.363 where: short stacking energy: -565.829 Base-Backbone interact. energy: 1.090 local terms energy: -562.688607 where: bonds (distance) C4'-P energy: -88.571 bonds (distance) P-C4' energy: -118.603 flat angles C4'-P-C4' energy: -115.311 flat angles P-C4'-P energy: -78.775 tors. eta vs tors. theta energy: -161.428 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: 1 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1876.949448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.949448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.949448 (E_RNA) where: Base-Base interactions energy: -1309.306 where: short stacking energy: -551.574 Base-Backbone interact. energy: -2.129 local terms energy: -565.513675 where: bonds (distance) C4'-P energy: -101.811 bonds (distance) P-C4' energy: -109.727 flat angles C4'-P-C4' energy: -114.861 flat angles P-C4'-P energy: -81.004 tors. eta vs tors. theta energy: -158.110 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: 4 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1847.308826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.308826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.308826 (E_RNA) where: Base-Base interactions energy: -1300.771 where: short stacking energy: -518.837 Base-Backbone interact. energy: 2.119 local terms energy: -548.657584 where: bonds (distance) C4'-P energy: -99.422 bonds (distance) P-C4' energy: -114.211 flat angles C4'-P-C4' energy: -112.075 flat angles P-C4'-P energy: -72.250 tors. eta vs tors. theta energy: -150.700 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: 4, replica: 3 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1776.727383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.727383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.727383 (E_RNA) where: Base-Base interactions energy: -1264.159 where: short stacking energy: -527.295 Base-Backbone interact. energy: 0.815 local terms energy: -513.382527 where: bonds (distance) C4'-P energy: -93.665 bonds (distance) P-C4' energy: -105.060 flat angles C4'-P-C4' energy: -110.143 flat angles P-C4'-P energy: -66.105 tors. eta vs tors. theta energy: -138.410 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: 5, replica: 2 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1754.061657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.061657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.061657 (E_RNA) where: Base-Base interactions energy: -1242.334 where: short stacking energy: -513.055 Base-Backbone interact. energy: 1.635 local terms energy: -513.363307 where: bonds (distance) C4'-P energy: -92.516 bonds (distance) P-C4' energy: -106.276 flat angles C4'-P-C4' energy: -100.269 flat angles P-C4'-P energy: -70.608 tors. eta vs tors. theta energy: -143.694 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: 6, replica: 5 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1614.958544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.958544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.958544 (E_RNA) where: Base-Base interactions energy: -1111.884 where: short stacking energy: -448.658 Base-Backbone interact. energy: -2.044 local terms energy: -501.030247 where: bonds (distance) C4'-P energy: -84.423 bonds (distance) P-C4' energy: -110.003 flat angles C4'-P-C4' energy: -105.189 flat angles P-C4'-P energy: -76.815 tors. eta vs tors. theta energy: -124.601 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: 7, replica: 9 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1489.880060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.880060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.880060 (E_RNA) where: Base-Base interactions energy: -1008.238 where: short stacking energy: -431.903 Base-Backbone interact. energy: -0.702 local terms energy: -480.939926 where: bonds (distance) C4'-P energy: -91.676 bonds (distance) P-C4' energy: -104.713 flat angles C4'-P-C4' energy: -102.939 flat angles P-C4'-P energy: -70.525 tors. eta vs tors. theta energy: -111.087 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: 8, replica: 6 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1334.699342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.699342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.699342 (E_RNA) where: Base-Base interactions energy: -897.644 where: short stacking energy: -382.775 Base-Backbone interact. energy: -0.033 local terms energy: -437.022772 where: bonds (distance) C4'-P energy: -88.570 bonds (distance) P-C4' energy: -98.840 flat angles C4'-P-C4' energy: -93.267 flat angles P-C4'-P energy: -70.544 tors. eta vs tors. theta energy: -85.802 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: 7 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1128.230554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.230554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.230554 (E_RNA) where: Base-Base interactions energy: -697.902 where: short stacking energy: -322.402 Base-Backbone interact. energy: 0.943 local terms energy: -431.271515 where: bonds (distance) C4'-P energy: -89.967 bonds (distance) P-C4' energy: -105.251 flat angles C4'-P-C4' energy: -105.668 flat angles P-C4'-P energy: -56.980 tors. eta vs tors. theta energy: -73.406 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: 10, replica: 10 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -1108.699844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.699844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.699844 (E_RNA) where: Base-Base interactions energy: -711.922 where: short stacking energy: -319.329 Base-Backbone interact. energy: -0.490 local terms energy: -396.287754 where: bonds (distance) C4'-P energy: -88.340 bonds (distance) P-C4' energy: -90.709 flat angles C4'-P-C4' energy: -90.217 flat angles P-C4'-P energy: -60.989 tors. eta vs tors. theta energy: -66.033 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: 8 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1926.590739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.590739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.590739 (E_RNA) where: Base-Base interactions energy: -1355.000 where: short stacking energy: -556.064 Base-Backbone interact. energy: -0.311 local terms energy: -571.279344 where: bonds (distance) C4'-P energy: -95.646 bonds (distance) P-C4' energy: -109.577 flat angles C4'-P-C4' energy: -118.205 flat angles P-C4'-P energy: -87.069 tors. eta vs tors. theta energy: -160.782 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: 2, replica: 1 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1881.678793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.678793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.678793 (E_RNA) where: Base-Base interactions energy: -1315.851 where: short stacking energy: -548.150 Base-Backbone interact. energy: -0.411 local terms energy: -565.416726 where: bonds (distance) C4'-P energy: -94.320 bonds (distance) P-C4' energy: -105.139 flat angles C4'-P-C4' energy: -123.141 flat angles P-C4'-P energy: -84.080 tors. eta vs tors. theta energy: -158.736 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: 4 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1825.394961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.394961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.394961 (E_RNA) where: Base-Base interactions energy: -1290.244 where: short stacking energy: -530.265 Base-Backbone interact. energy: -2.935 local terms energy: -532.215162 where: bonds (distance) C4'-P energy: -106.821 bonds (distance) P-C4' energy: -95.383 flat angles C4'-P-C4' energy: -111.814 flat angles P-C4'-P energy: -68.806 tors. eta vs tors. theta energy: -149.392 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: 4, replica: 3 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1773.632265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.632265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.632265 (E_RNA) where: Base-Base interactions energy: -1252.610 where: short stacking energy: -514.374 Base-Backbone interact. energy: -0.590 local terms energy: -520.432004 where: bonds (distance) C4'-P energy: -93.301 bonds (distance) P-C4' energy: -94.704 flat angles C4'-P-C4' energy: -116.829 flat angles P-C4'-P energy: -70.557 tors. eta vs tors. theta energy: -145.040 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: 149 Temperature: 1.100000 Total energy: -1731.088803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.088803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.088803 (E_RNA) where: Base-Base interactions energy: -1195.449 where: short stacking energy: -493.110 Base-Backbone interact. energy: 1.123 local terms energy: -536.763097 where: bonds (distance) C4'-P energy: -105.007 bonds (distance) P-C4' energy: -102.445 flat angles C4'-P-C4' energy: -116.618 flat angles P-C4'-P energy: -74.325 tors. eta vs tors. theta energy: -138.368 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: 5 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1604.107401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.107401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.107401 (E_RNA) where: Base-Base interactions energy: -1139.650 where: short stacking energy: -444.161 Base-Backbone interact. energy: 10.368 local terms energy: -474.825344 where: bonds (distance) C4'-P energy: -84.687 bonds (distance) P-C4' energy: -105.804 flat angles C4'-P-C4' energy: -102.040 flat angles P-C4'-P energy: -67.209 tors. eta vs tors. theta energy: -115.085 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: 9 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1499.217004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.217004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.217004 (E_RNA) where: Base-Base interactions energy: -1030.045 where: short stacking energy: -439.676 Base-Backbone interact. energy: -0.175 local terms energy: -468.996579 where: bonds (distance) C4'-P energy: -85.401 bonds (distance) P-C4' energy: -96.777 flat angles C4'-P-C4' energy: -103.416 flat angles P-C4'-P energy: -63.601 tors. eta vs tors. theta energy: -119.802 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: 6 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1350.361333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.361333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.361333 (E_RNA) where: Base-Base interactions energy: -917.558 where: short stacking energy: -394.829 Base-Backbone interact. energy: 2.537 local terms energy: -435.340248 where: bonds (distance) C4'-P energy: -76.568 bonds (distance) P-C4' energy: -97.771 flat angles C4'-P-C4' energy: -97.633 flat angles P-C4'-P energy: -66.526 tors. eta vs tors. theta energy: -96.842 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: 7 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1109.757095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.757095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.757095 (E_RNA) where: Base-Base interactions energy: -708.964 where: short stacking energy: -325.089 Base-Backbone interact. energy: 6.009 local terms energy: -406.802389 where: bonds (distance) C4'-P energy: -89.993 bonds (distance) P-C4' energy: -99.060 flat angles C4'-P-C4' energy: -85.127 flat angles P-C4'-P energy: -59.132 tors. eta vs tors. theta energy: -73.491 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: 10, replica: 10 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -1142.427715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.427715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.427715 (E_RNA) where: Base-Base interactions energy: -730.257 where: short stacking energy: -323.094 Base-Backbone interact. energy: 0.774 local terms energy: -412.945155 where: bonds (distance) C4'-P energy: -93.937 bonds (distance) P-C4' energy: -110.434 flat angles C4'-P-C4' energy: -81.869 flat angles P-C4'-P energy: -53.198 tors. eta vs tors. theta energy: -73.508 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: 150 Temperature: 0.900000 Total energy: -1890.651427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.651427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.651427 (E_RNA) where: Base-Base interactions energy: -1315.636 where: short stacking energy: -529.867 Base-Backbone interact. energy: 1.015 local terms energy: -576.030748 where: bonds (distance) C4'-P energy: -103.262 bonds (distance) P-C4' energy: -112.378 flat angles C4'-P-C4' energy: -115.907 flat angles P-C4'-P energy: -85.462 tors. eta vs tors. theta energy: -159.023 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: 8 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1898.997579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.997579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.997579 (E_RNA) where: Base-Base interactions energy: -1319.223 where: short stacking energy: -558.301 Base-Backbone interact. energy: 0.685 local terms energy: -580.459998 where: bonds (distance) C4'-P energy: -103.310 bonds (distance) P-C4' energy: -115.482 flat angles C4'-P-C4' energy: -110.942 flat angles P-C4'-P energy: -87.008 tors. eta vs tors. theta energy: -163.718 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: 4 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1834.504891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.504891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.504891 (E_RNA) where: Base-Base interactions energy: -1266.507 where: short stacking energy: -512.320 Base-Backbone interact. energy: -1.770 local terms energy: -566.227977 where: bonds (distance) C4'-P energy: -99.788 bonds (distance) P-C4' energy: -113.465 flat angles C4'-P-C4' energy: -122.219 flat angles P-C4'-P energy: -79.363 tors. eta vs tors. theta energy: -151.392 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: 4, replica: 3 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1796.348818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.348818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.348818 (E_RNA) where: Base-Base interactions energy: -1236.339 where: short stacking energy: -529.241 Base-Backbone interact. energy: 2.911 local terms energy: -562.920216 where: bonds (distance) C4'-P energy: -100.647 bonds (distance) P-C4' energy: -112.818 flat angles C4'-P-C4' energy: -113.822 flat angles P-C4'-P energy: -76.995 tors. eta vs tors. theta energy: -158.637 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: 5, replica: 2 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1737.958121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.958121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.958121 (E_RNA) where: Base-Base interactions energy: -1225.641 where: short stacking energy: -503.148 Base-Backbone interact. energy: 1.401 local terms energy: -513.718086 where: bonds (distance) C4'-P energy: -77.930 bonds (distance) P-C4' energy: -105.632 flat angles C4'-P-C4' energy: -115.426 flat angles P-C4'-P energy: -76.320 tors. eta vs tors. theta energy: -138.410 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: 5 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1596.809499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.809499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.809499 (E_RNA) where: Base-Base interactions energy: -1107.395 where: short stacking energy: -457.504 Base-Backbone interact. energy: -1.252 local terms energy: -488.162422 where: bonds (distance) C4'-P energy: -82.092 bonds (distance) P-C4' energy: -100.303 flat angles C4'-P-C4' energy: -104.296 flat angles P-C4'-P energy: -76.471 tors. eta vs tors. theta energy: -125.001 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: 7, replica: 9 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1505.825800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.825800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.825800 (E_RNA) where: Base-Base interactions energy: -1049.304 where: short stacking energy: -436.021 Base-Backbone interact. energy: -4.541 local terms energy: -451.981155 where: bonds (distance) C4'-P energy: -84.521 bonds (distance) P-C4' energy: -97.550 flat angles C4'-P-C4' energy: -91.811 flat angles P-C4'-P energy: -64.812 tors. eta vs tors. theta energy: -113.286 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: 6 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1342.778457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.778457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.778457 (E_RNA) where: Base-Base interactions energy: -903.966 where: short stacking energy: -387.327 Base-Backbone interact. energy: -0.779 local terms energy: -438.033497 where: bonds (distance) C4'-P energy: -84.081 bonds (distance) P-C4' energy: -99.288 flat angles C4'-P-C4' energy: -94.993 flat angles P-C4'-P energy: -57.980 tors. eta vs tors. theta energy: -101.692 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: 9, replica: 10 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1192.420466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.420466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.420466 (E_RNA) where: Base-Base interactions energy: -782.310 where: short stacking energy: -353.885 Base-Backbone interact. energy: 1.388 local terms energy: -411.498605 where: bonds (distance) C4'-P energy: -96.738 bonds (distance) P-C4' energy: -91.015 flat angles C4'-P-C4' energy: -100.446 flat angles P-C4'-P energy: -50.490 tors. eta vs tors. theta energy: -72.809 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: 10, replica: 7 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -1121.367317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.367317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.367317 (E_RNA) where: Base-Base interactions energy: -739.345 where: short stacking energy: -324.154 Base-Backbone interact. energy: 2.264 local terms energy: -384.286482 where: bonds (distance) C4'-P energy: -81.501 bonds (distance) P-C4' energy: -85.188 flat angles C4'-P-C4' energy: -92.959 flat angles P-C4'-P energy: -51.124 tors. eta vs tors. theta energy: -73.515 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: 1, replica: 1 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1894.096104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.096104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.096104 (E_RNA) where: Base-Base interactions energy: -1318.587 where: short stacking energy: -543.347 Base-Backbone interact. energy: 2.869 local terms energy: -578.377425 where: bonds (distance) C4'-P energy: -110.036 bonds (distance) P-C4' energy: -110.700 flat angles C4'-P-C4' energy: -119.723 flat angles P-C4'-P energy: -82.511 tors. eta vs tors. theta energy: -155.407 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: 2, replica: 8 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1883.470442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.470442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.470442 (E_RNA) where: Base-Base interactions energy: -1323.588 where: short stacking energy: -561.038 Base-Backbone interact. energy: 3.212 local terms energy: -563.094269 where: bonds (distance) C4'-P energy: -104.284 bonds (distance) P-C4' energy: -110.467 flat angles C4'-P-C4' energy: -117.570 flat angles P-C4'-P energy: -70.304 tors. eta vs tors. theta energy: -160.470 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: 3, replica: 4 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1856.367287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.367287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.367287 (E_RNA) where: Base-Base interactions energy: -1303.941 where: short stacking energy: -542.750 Base-Backbone interact. energy: -3.199 local terms energy: -549.227275 where: bonds (distance) C4'-P energy: -104.120 bonds (distance) P-C4' energy: -112.115 flat angles C4'-P-C4' energy: -113.797 flat angles P-C4'-P energy: -72.416 tors. eta vs tors. theta energy: -146.778 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: 3 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1812.864494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.864494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.864494 (E_RNA) where: Base-Base interactions energy: -1257.292 where: short stacking energy: -543.209 Base-Backbone interact. energy: 2.488 local terms energy: -558.060812 where: bonds (distance) C4'-P energy: -97.728 bonds (distance) P-C4' energy: -100.200 flat angles C4'-P-C4' energy: -121.152 flat angles P-C4'-P energy: -78.061 tors. eta vs tors. theta energy: -160.921 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: 5, replica: 2 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1713.462593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.462593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.462593 (E_RNA) where: Base-Base interactions energy: -1209.596 where: short stacking energy: -500.315 Base-Backbone interact. energy: 8.620 local terms energy: -512.487231 where: bonds (distance) C4'-P energy: -92.081 bonds (distance) P-C4' energy: -90.543 flat angles C4'-P-C4' energy: -112.070 flat angles P-C4'-P energy: -72.953 tors. eta vs tors. theta energy: -144.841 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: 6, replica: 5 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1561.827915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.827915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.827915 (E_RNA) where: Base-Base interactions energy: -1072.035 where: short stacking energy: -433.797 Base-Backbone interact. energy: -0.350 local terms energy: -489.443661 where: bonds (distance) C4'-P energy: -85.210 bonds (distance) P-C4' energy: -108.538 flat angles C4'-P-C4' energy: -108.970 flat angles P-C4'-P energy: -74.597 tors. eta vs tors. theta energy: -112.129 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: 9 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1519.158884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.158884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.158884 (E_RNA) where: Base-Base interactions energy: -1044.244 where: short stacking energy: -441.670 Base-Backbone interact. energy: 2.749 local terms energy: -477.663357 where: bonds (distance) C4'-P energy: -84.976 bonds (distance) P-C4' energy: -107.685 flat angles C4'-P-C4' energy: -98.689 flat angles P-C4'-P energy: -61.945 tors. eta vs tors. theta energy: -124.369 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: 8, replica: 6 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1360.374116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.374116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.374116 (E_RNA) where: Base-Base interactions energy: -906.961 where: short stacking energy: -407.107 Base-Backbone interact. energy: 1.517 local terms energy: -454.929126 where: bonds (distance) C4'-P energy: -90.397 bonds (distance) P-C4' energy: -102.587 flat angles C4'-P-C4' energy: -85.656 flat angles P-C4'-P energy: -65.816 tors. eta vs tors. theta energy: -110.473 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: 9, replica: 10 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1194.077664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.077664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.077664 (E_RNA) where: Base-Base interactions energy: -784.181 where: short stacking energy: -334.627 Base-Backbone interact. energy: 3.994 local terms energy: -413.890817 where: bonds (distance) C4'-P energy: -91.940 bonds (distance) P-C4' energy: -100.474 flat angles C4'-P-C4' energy: -84.421 flat angles P-C4'-P energy: -68.449 tors. eta vs tors. theta energy: -68.606 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: 7 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -1157.933753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.933753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.933753 (E_RNA) where: Base-Base interactions energy: -766.486 where: short stacking energy: -349.855 Base-Backbone interact. energy: -1.445 local terms energy: -390.002449 where: bonds (distance) C4'-P energy: -91.005 bonds (distance) P-C4' energy: -99.184 flat angles C4'-P-C4' energy: -83.013 flat angles P-C4'-P energy: -51.774 tors. eta vs tors. theta energy: -65.026 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: 1, replica: 8 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1927.028611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.028611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.028611 (E_RNA) where: Base-Base interactions energy: -1351.479 where: short stacking energy: -560.653 Base-Backbone interact. energy: -1.197 local terms energy: -574.352631 where: bonds (distance) C4'-P energy: -95.085 bonds (distance) P-C4' energy: -119.359 flat angles C4'-P-C4' energy: -118.374 flat angles P-C4'-P energy: -82.273 tors. eta vs tors. theta energy: -159.262 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: 2, replica: 1 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1886.384253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.384253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.384253 (E_RNA) where: Base-Base interactions energy: -1313.728 where: short stacking energy: -546.791 Base-Backbone interact. energy: -2.870 local terms energy: -569.786296 where: bonds (distance) C4'-P energy: -103.219 bonds (distance) P-C4' energy: -117.765 flat angles C4'-P-C4' energy: -119.594 flat angles P-C4'-P energy: -74.390 tors. eta vs tors. theta energy: -154.818 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: 3, replica: 4 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1846.240996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.240996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.240996 (E_RNA) where: Base-Base interactions energy: -1293.283 where: short stacking energy: -506.707 Base-Backbone interact. energy: 2.298 local terms energy: -555.255686 where: bonds (distance) C4'-P energy: -99.061 bonds (distance) P-C4' energy: -101.951 flat angles C4'-P-C4' energy: -123.863 flat angles P-C4'-P energy: -83.027 tors. eta vs tors. theta energy: -147.353 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: 4, replica: 3 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1746.441900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.441900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.441900 (E_RNA) where: Base-Base interactions energy: -1210.022 where: short stacking energy: -505.126 Base-Backbone interact. energy: 0.559 local terms energy: -536.979127 where: bonds (distance) C4'-P energy: -98.167 bonds (distance) P-C4' energy: -105.152 flat angles C4'-P-C4' energy: -112.100 flat angles P-C4'-P energy: -75.103 tors. eta vs tors. theta energy: -146.457 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: 5, replica: 2 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1715.740029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.740029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.740029 (E_RNA) where: Base-Base interactions energy: -1193.292 where: short stacking energy: -504.982 Base-Backbone interact. energy: 0.215 local terms energy: -522.662875 where: bonds (distance) C4'-P energy: -84.925 bonds (distance) P-C4' energy: -112.167 flat angles C4'-P-C4' energy: -112.644 flat angles P-C4'-P energy: -73.381 tors. eta vs tors. theta energy: -139.546 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: 6, replica: 5 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1570.600463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.600463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.600463 (E_RNA) where: Base-Base interactions energy: -1056.446 where: short stacking energy: -452.629 Base-Backbone interact. energy: 3.417 local terms energy: -517.571403 where: bonds (distance) C4'-P energy: -91.648 bonds (distance) P-C4' energy: -113.507 flat angles C4'-P-C4' energy: -111.349 flat angles P-C4'-P energy: -73.681 tors. eta vs tors. theta energy: -127.385 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: 7, replica: 9 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1519.894597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.894597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.894597 (E_RNA) where: Base-Base interactions energy: -1033.081 where: short stacking energy: -442.327 Base-Backbone interact. energy: 4.101 local terms energy: -490.914247 where: bonds (distance) C4'-P energy: -96.913 bonds (distance) P-C4' energy: -101.902 flat angles C4'-P-C4' energy: -98.479 flat angles P-C4'-P energy: -72.568 tors. eta vs tors. theta energy: -121.052 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: 8, replica: 6 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1356.356854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.356854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.356854 (E_RNA) where: Base-Base interactions energy: -909.261 where: short stacking energy: -385.991 Base-Backbone interact. energy: -0.773 local terms energy: -446.322341 where: bonds (distance) C4'-P energy: -86.006 bonds (distance) P-C4' energy: -98.301 flat angles C4'-P-C4' energy: -105.287 flat angles P-C4'-P energy: -65.213 tors. eta vs tors. theta energy: -91.516 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: 9, replica: 10 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1192.261530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.261530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.261530 (E_RNA) where: Base-Base interactions energy: -776.896 where: short stacking energy: -333.621 Base-Backbone interact. energy: 3.348 local terms energy: -418.713015 where: bonds (distance) C4'-P energy: -89.867 bonds (distance) P-C4' energy: -100.611 flat angles C4'-P-C4' energy: -85.014 flat angles P-C4'-P energy: -71.803 tors. eta vs tors. theta energy: -71.418 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: 10, replica: 7 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -1119.032254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.032254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.032254 (E_RNA) where: Base-Base interactions energy: -756.266 where: short stacking energy: -340.148 Base-Backbone interact. energy: -0.353 local terms energy: -362.412380 where: bonds (distance) C4'-P energy: -78.397 bonds (distance) P-C4' energy: -85.634 flat angles C4'-P-C4' energy: -94.595 flat angles P-C4'-P energy: -45.316 tors. eta vs tors. theta energy: -58.470 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: 1, replica: 8 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1930.835751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.835751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.835751 (E_RNA) where: Base-Base interactions energy: -1356.039 where: short stacking energy: -543.285 Base-Backbone interact. energy: 6.534 local terms energy: -581.330003 where: bonds (distance) C4'-P energy: -110.093 bonds (distance) P-C4' energy: -110.694 flat angles C4'-P-C4' energy: -120.307 flat angles P-C4'-P energy: -81.323 tors. eta vs tors. theta energy: -158.914 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: 2, replica: 4 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1883.810889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.810889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.810889 (E_RNA) where: Base-Base interactions energy: -1321.148 where: short stacking energy: -542.894 Base-Backbone interact. energy: -0.542 local terms energy: -562.120836 where: bonds (distance) C4'-P energy: -105.993 bonds (distance) P-C4' energy: -104.032 flat angles C4'-P-C4' energy: -118.872 flat angles P-C4'-P energy: -77.494 tors. eta vs tors. theta energy: -155.730 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: 153 Temperature: 1.000000 Total energy: -1823.436291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.436291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.436291 (E_RNA) where: Base-Base interactions energy: -1290.051 where: short stacking energy: -535.922 Base-Backbone interact. energy: -1.141 local terms energy: -532.244176 where: bonds (distance) C4'-P energy: -92.847 bonds (distance) P-C4' energy: -108.994 flat angles C4'-P-C4' energy: -106.979 flat angles P-C4'-P energy: -75.870 tors. eta vs tors. theta energy: -147.555 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: 4, replica: 2 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1772.176800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.176800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.176800 (E_RNA) where: Base-Base interactions energy: -1239.105 where: short stacking energy: -513.110 Base-Backbone interact. energy: 3.889 local terms energy: -536.960539 where: bonds (distance) C4'-P energy: -97.006 bonds (distance) P-C4' energy: -108.393 flat angles C4'-P-C4' energy: -118.237 flat angles P-C4'-P energy: -74.492 tors. eta vs tors. theta energy: -138.833 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: 5, replica: 3 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1751.657809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.657809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.657809 (E_RNA) where: Base-Base interactions energy: -1212.784 where: short stacking energy: -493.502 Base-Backbone interact. energy: 0.064 local terms energy: -538.937537 where: bonds (distance) C4'-P energy: -102.000 bonds (distance) P-C4' energy: -104.421 flat angles C4'-P-C4' energy: -106.283 flat angles P-C4'-P energy: -76.402 tors. eta vs tors. theta energy: -149.832 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: 6, replica: 9 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1543.786932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.786932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.786932 (E_RNA) where: Base-Base interactions energy: -1066.921 where: short stacking energy: -431.161 Base-Backbone interact. energy: -1.892 local terms energy: -474.973384 where: bonds (distance) C4'-P energy: -98.975 bonds (distance) P-C4' energy: -99.368 flat angles C4'-P-C4' energy: -97.426 flat angles P-C4'-P energy: -63.462 tors. eta vs tors. theta energy: -115.743 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: 7, replica: 5 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1562.642195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.642195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.642195 (E_RNA) where: Base-Base interactions energy: -1076.372 where: short stacking energy: -435.773 Base-Backbone interact. energy: -3.069 local terms energy: -483.200921 where: bonds (distance) C4'-P energy: -88.052 bonds (distance) P-C4' energy: -107.648 flat angles C4'-P-C4' energy: -93.143 flat angles P-C4'-P energy: -72.283 tors. eta vs tors. theta energy: -122.076 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: 8, replica: 6 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1338.890761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.890761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.890761 (E_RNA) where: Base-Base interactions energy: -910.280 where: short stacking energy: -386.985 Base-Backbone interact. energy: -0.200 local terms energy: -428.411348 where: bonds (distance) C4'-P energy: -71.435 bonds (distance) P-C4' energy: -107.784 flat angles C4'-P-C4' energy: -97.404 flat angles P-C4'-P energy: -64.129 tors. eta vs tors. theta energy: -87.659 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: 9, replica: 10 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1155.752148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.752148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.752148 (E_RNA) where: Base-Base interactions energy: -747.528 where: short stacking energy: -324.460 Base-Backbone interact. energy: -1.238 local terms energy: -406.985867 where: bonds (distance) C4'-P energy: -89.707 bonds (distance) P-C4' energy: -97.642 flat angles C4'-P-C4' energy: -95.885 flat angles P-C4'-P energy: -69.329 tors. eta vs tors. theta energy: -54.423 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: 10, replica: 7 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -1104.417575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.417575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.417575 (E_RNA) where: Base-Base interactions energy: -721.807 where: short stacking energy: -304.775 Base-Backbone interact. energy: 1.380 local terms energy: -383.990753 where: bonds (distance) C4'-P energy: -83.520 bonds (distance) P-C4' energy: -107.488 flat angles C4'-P-C4' energy: -77.772 flat angles P-C4'-P energy: -62.177 tors. eta vs tors. theta energy: -53.034 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: 1, replica: 8 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1929.459680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.459680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.459680 (E_RNA) where: Base-Base interactions energy: -1362.473 where: short stacking energy: -577.046 Base-Backbone interact. energy: 0.961 local terms energy: -567.947909 where: bonds (distance) C4'-P energy: -104.304 bonds (distance) P-C4' energy: -114.381 flat angles C4'-P-C4' energy: -119.977 flat angles P-C4'-P energy: -69.380 tors. eta vs tors. theta energy: -159.906 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: 2, replica: 4 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1864.465187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.465187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.465187 (E_RNA) where: Base-Base interactions energy: -1307.254 where: short stacking energy: -534.713 Base-Backbone interact. energy: 1.140 local terms energy: -558.350711 where: bonds (distance) C4'-P energy: -93.217 bonds (distance) P-C4' energy: -114.058 flat angles C4'-P-C4' energy: -120.717 flat angles P-C4'-P energy: -76.948 tors. eta vs tors. theta energy: -153.412 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: 2 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1795.999062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.999062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.999062 (E_RNA) where: Base-Base interactions energy: -1251.430 where: short stacking energy: -507.613 Base-Backbone interact. energy: -4.279 local terms energy: -540.289771 where: bonds (distance) C4'-P energy: -84.287 bonds (distance) P-C4' energy: -118.965 flat angles C4'-P-C4' energy: -111.906 flat angles P-C4'-P energy: -74.458 tors. eta vs tors. theta energy: -150.674 Dist. restrs. and SS energy: 0.000 (S_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: 154 Temperature: 1.050000 Total energy: -1805.081052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.081052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.081052 (E_RNA) where: Base-Base interactions energy: -1255.848 where: short stacking energy: -499.106 Base-Backbone interact. energy: -0.766 local terms energy: -548.466380 where: bonds (distance) C4'-P energy: -100.917 bonds (distance) P-C4' energy: -100.690 flat angles C4'-P-C4' energy: -119.073 flat angles P-C4'-P energy: -83.362 tors. eta vs tors. theta energy: -144.425 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: 5, replica: 3 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1734.721323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.721323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.721323 (E_RNA) where: Base-Base interactions energy: -1197.468 where: short stacking energy: -506.675 Base-Backbone interact. energy: -2.139 local terms energy: -535.114626 where: bonds (distance) C4'-P energy: -104.277 bonds (distance) P-C4' energy: -88.201 flat angles C4'-P-C4' energy: -105.893 flat angles P-C4'-P energy: -88.203 tors. eta vs tors. theta energy: -148.541 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: 6, replica: 9 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1559.169079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.169079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.169079 (E_RNA) where: Base-Base interactions energy: -1066.491 where: short stacking energy: -451.556 Base-Backbone interact. energy: -0.334 local terms energy: -492.343665 where: bonds (distance) C4'-P energy: -96.593 bonds (distance) P-C4' energy: -96.328 flat angles C4'-P-C4' energy: -102.774 flat angles P-C4'-P energy: -73.715 tors. eta vs tors. theta energy: -122.933 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: 7, replica: 5 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1547.500201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.500201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.500201 (E_RNA) where: Base-Base interactions energy: -1092.810 where: short stacking energy: -440.479 Base-Backbone interact. energy: 1.644 local terms energy: -456.334146 where: bonds (distance) C4'-P energy: -84.992 bonds (distance) P-C4' energy: -92.612 flat angles C4'-P-C4' energy: -90.464 flat angles P-C4'-P energy: -80.265 tors. eta vs tors. theta energy: -108.002 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: 8, replica: 6 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1377.232482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.232482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.232482 (E_RNA) where: Base-Base interactions energy: -920.911 where: short stacking energy: -405.609 Base-Backbone interact. energy: -2.602 local terms energy: -453.718706 where: bonds (distance) C4'-P energy: -89.332 bonds (distance) P-C4' energy: -100.235 flat angles C4'-P-C4' energy: -105.124 flat angles P-C4'-P energy: -72.185 tors. eta vs tors. theta energy: -86.842 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: 10 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1224.388824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.388824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.388824 (E_RNA) where: Base-Base interactions energy: -807.537 where: short stacking energy: -386.382 Base-Backbone interact. energy: -2.242 local terms energy: -414.609944 where: bonds (distance) C4'-P energy: -74.636 bonds (distance) P-C4' energy: -83.244 flat angles C4'-P-C4' energy: -94.301 flat angles P-C4'-P energy: -69.739 tors. eta vs tors. theta energy: -92.689 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: 10, replica: 7 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -1086.145986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.145986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.145986 (E_RNA) where: Base-Base interactions energy: -727.049 where: short stacking energy: -330.544 Base-Backbone interact. energy: -0.546 local terms energy: -358.551192 where: bonds (distance) C4'-P energy: -67.305 bonds (distance) P-C4' energy: -100.237 flat angles C4'-P-C4' energy: -87.981 flat angles P-C4'-P energy: -49.757 tors. eta vs tors. theta energy: -53.272 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: 1, replica: 8 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1921.288860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.288860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.288860 (E_RNA) where: Base-Base interactions energy: -1333.870 where: short stacking energy: -546.123 Base-Backbone interact. energy: -0.277 local terms energy: -587.142398 where: bonds (distance) C4'-P energy: -112.744 bonds (distance) P-C4' energy: -102.316 flat angles C4'-P-C4' energy: -127.765 flat angles P-C4'-P energy: -84.338 tors. eta vs tors. theta energy: -159.979 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: 4 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1861.315432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.315432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.315432 (E_RNA) where: Base-Base interactions energy: -1295.987 where: short stacking energy: -548.130 Base-Backbone interact. energy: 1.601 local terms energy: -566.929153 where: bonds (distance) C4'-P energy: -110.211 bonds (distance) P-C4' energy: -106.596 flat angles C4'-P-C4' energy: -117.863 flat angles P-C4'-P energy: -76.943 tors. eta vs tors. theta energy: -155.316 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: 2 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1795.513977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.513977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.513977 (E_RNA) where: Base-Base interactions energy: -1257.006 where: short stacking energy: -521.497 Base-Backbone interact. energy: 1.825 local terms energy: -540.333433 where: bonds (distance) C4'-P energy: -88.695 bonds (distance) P-C4' energy: -118.498 flat angles C4'-P-C4' energy: -107.153 flat angles P-C4'-P energy: -78.301 tors. eta vs tors. theta energy: -147.687 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: 4, replica: 3 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1757.407391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.407391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.407391 (E_RNA) where: Base-Base interactions energy: -1218.774 where: short stacking energy: -512.836 Base-Backbone interact. energy: -2.742 local terms energy: -535.891690 where: bonds (distance) C4'-P energy: -89.493 bonds (distance) P-C4' energy: -109.119 flat angles C4'-P-C4' energy: -116.732 flat angles P-C4'-P energy: -74.053 tors. eta vs tors. theta energy: -146.495 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: 5, replica: 1 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1756.029743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.029743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.029743 (E_RNA) where: Base-Base interactions energy: -1230.654 where: short stacking energy: -517.582 Base-Backbone interact. energy: -4.253 local terms energy: -521.122225 where: bonds (distance) C4'-P energy: -88.169 bonds (distance) P-C4' energy: -108.092 flat angles C4'-P-C4' energy: -110.111 flat angles P-C4'-P energy: -72.795 tors. eta vs tors. theta energy: -141.955 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: 5 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1566.545895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.545895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.545895 (E_RNA) where: Base-Base interactions energy: -1074.643 where: short stacking energy: -449.148 Base-Backbone interact. energy: 1.499 local terms energy: -493.401262 where: bonds (distance) C4'-P energy: -89.972 bonds (distance) P-C4' energy: -99.608 flat angles C4'-P-C4' energy: -112.831 flat angles P-C4'-P energy: -70.911 tors. eta vs tors. theta energy: -120.079 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: 9 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1490.011809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.011809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.011809 (E_RNA) where: Base-Base interactions energy: -1040.770 where: short stacking energy: -439.457 Base-Backbone interact. energy: 0.755 local terms energy: -449.996781 where: bonds (distance) C4'-P energy: -79.278 bonds (distance) P-C4' energy: -94.252 flat angles C4'-P-C4' energy: -102.771 flat angles P-C4'-P energy: -68.760 tors. eta vs tors. theta energy: -104.936 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: 6 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1388.228023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.228023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.228023 (E_RNA) where: Base-Base interactions energy: -933.124 where: short stacking energy: -403.136 Base-Backbone interact. energy: 3.651 local terms energy: -458.755005 where: bonds (distance) C4'-P energy: -89.569 bonds (distance) P-C4' energy: -107.166 flat angles C4'-P-C4' energy: -103.514 flat angles P-C4'-P energy: -60.291 tors. eta vs tors. theta energy: -98.216 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: 9, replica: 10 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1197.465715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.465715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.465715 (E_RNA) where: Base-Base interactions energy: -769.824 where: short stacking energy: -348.609 Base-Backbone interact. energy: 1.656 local terms energy: -429.298299 where: bonds (distance) C4'-P energy: -83.360 bonds (distance) P-C4' energy: -101.856 flat angles C4'-P-C4' energy: -99.545 flat angles P-C4'-P energy: -60.026 tors. eta vs tors. theta energy: -84.510 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: 7 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -1088.820698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.820698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.820698 (E_RNA) where: Base-Base interactions energy: -707.093 where: short stacking energy: -323.961 Base-Backbone interact. energy: 5.025 local terms energy: -386.752523 where: bonds (distance) C4'-P energy: -74.055 bonds (distance) P-C4' energy: -96.325 flat angles C4'-P-C4' energy: -87.959 flat angles P-C4'-P energy: -61.538 tors. eta vs tors. theta energy: -66.876 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: 1, replica: 8 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1919.578469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.578469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.578469 (E_RNA) where: Base-Base interactions energy: -1336.516 where: short stacking energy: -546.224 Base-Backbone interact. energy: -4.440 local terms energy: -578.622142 where: bonds (distance) C4'-P energy: -97.117 bonds (distance) P-C4' energy: -118.794 flat angles C4'-P-C4' energy: -118.392 flat angles P-C4'-P energy: -85.311 tors. eta vs tors. theta energy: -159.008 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: 2, replica: 4 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1860.392638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.392638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.392638 (E_RNA) where: Base-Base interactions energy: -1304.710 where: short stacking energy: -522.613 Base-Backbone interact. energy: -3.750 local terms energy: -551.932087 where: bonds (distance) C4'-P energy: -102.842 bonds (distance) P-C4' energy: -109.116 flat angles C4'-P-C4' energy: -105.346 flat angles P-C4'-P energy: -80.880 tors. eta vs tors. theta energy: -153.747 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: 3, replica: 3 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1829.743828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.743828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.743828 (E_RNA) where: Base-Base interactions energy: -1264.393 where: short stacking energy: -526.255 Base-Backbone interact. energy: 0.749 local terms energy: -566.100599 where: bonds (distance) C4'-P energy: -100.313 bonds (distance) P-C4' energy: -120.485 flat angles C4'-P-C4' energy: -117.000 flat angles P-C4'-P energy: -75.573 tors. eta vs tors. theta energy: -152.729 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: 4, replica: 2 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1790.119081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.119081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.119081 (E_RNA) where: Base-Base interactions energy: -1260.077 where: short stacking energy: -530.017 Base-Backbone interact. energy: -0.708 local terms energy: -529.333841 where: bonds (distance) C4'-P energy: -91.198 bonds (distance) P-C4' energy: -92.339 flat angles C4'-P-C4' energy: -108.715 flat angles P-C4'-P energy: -78.281 tors. eta vs tors. theta energy: -158.800 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: 5, replica: 1 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1787.218678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.218678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.218678 (E_RNA) where: Base-Base interactions energy: -1239.881 where: short stacking energy: -518.771 Base-Backbone interact. energy: -3.904 local terms energy: -543.433542 where: bonds (distance) C4'-P energy: -92.710 bonds (distance) P-C4' energy: -119.807 flat angles C4'-P-C4' energy: -105.251 flat angles P-C4'-P energy: -77.572 tors. eta vs tors. theta energy: -148.094 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: 6, replica: 5 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1580.299757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.299757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.299757 (E_RNA) where: Base-Base interactions energy: -1081.660 where: short stacking energy: -443.314 Base-Backbone interact. energy: 3.842 local terms energy: -502.481567 where: bonds (distance) C4'-P energy: -96.551 bonds (distance) P-C4' energy: -117.583 flat angles C4'-P-C4' energy: -102.714 flat angles P-C4'-P energy: -70.404 tors. eta vs tors. theta energy: -115.230 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: 7, replica: 9 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1478.004131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.004131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.004131 (E_RNA) where: Base-Base interactions energy: -1021.953 where: short stacking energy: -416.577 Base-Backbone interact. energy: 0.072 local terms energy: -456.122752 where: bonds (distance) C4'-P energy: -94.514 bonds (distance) P-C4' energy: -97.713 flat angles C4'-P-C4' energy: -104.457 flat angles P-C4'-P energy: -56.153 tors. eta vs tors. theta energy: -103.286 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: 6 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1343.150331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.150331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.150331 (E_RNA) where: Base-Base interactions energy: -888.349 where: short stacking energy: -394.653 Base-Backbone interact. energy: -0.372 local terms energy: -454.429707 where: bonds (distance) C4'-P energy: -78.830 bonds (distance) P-C4' energy: -99.372 flat angles C4'-P-C4' energy: -110.996 flat angles P-C4'-P energy: -68.936 tors. eta vs tors. theta energy: -96.296 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: 9, replica: 10 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1175.970359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.970359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.970359 (E_RNA) where: Base-Base interactions energy: -767.925 where: short stacking energy: -338.497 Base-Backbone interact. energy: 1.746 local terms energy: -409.790915 where: bonds (distance) C4'-P energy: -89.211 bonds (distance) P-C4' energy: -106.344 flat angles C4'-P-C4' energy: -93.615 flat angles P-C4'-P energy: -55.829 tors. eta vs tors. theta energy: -64.792 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: 10, replica: 7 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -1148.179604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.179604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.179604 (E_RNA) where: Base-Base interactions energy: -713.736 where: short stacking energy: -323.731 Base-Backbone interact. energy: -3.075 local terms energy: -431.369217 where: bonds (distance) C4'-P energy: -95.073 bonds (distance) P-C4' energy: -93.276 flat angles C4'-P-C4' energy: -96.626 flat angles P-C4'-P energy: -70.369 tors. eta vs tors. theta energy: -76.024 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: 1, replica: 8 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1901.719584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.719584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.719584 (E_RNA) where: Base-Base interactions energy: -1317.057 where: short stacking energy: -540.636 Base-Backbone interact. energy: 1.137 local terms energy: -585.799759 where: bonds (distance) C4'-P energy: -113.216 bonds (distance) P-C4' energy: -110.342 flat angles C4'-P-C4' energy: -123.000 flat angles P-C4'-P energy: -84.456 tors. eta vs tors. theta energy: -154.785 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: 2, replica: 4 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1876.882273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.882273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.882273 (E_RNA) where: Base-Base interactions energy: -1313.187 where: short stacking energy: -545.170 Base-Backbone interact. energy: -0.658 local terms energy: -563.036988 where: bonds (distance) C4'-P energy: -104.169 bonds (distance) P-C4' energy: -113.535 flat angles C4'-P-C4' energy: -112.164 flat angles P-C4'-P energy: -76.426 tors. eta vs tors. theta energy: -156.742 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: 3 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1850.811152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.811152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.811152 (E_RNA) where: Base-Base interactions energy: -1279.515 where: short stacking energy: -533.728 Base-Backbone interact. energy: -1.143 local terms energy: -570.153139 where: bonds (distance) C4'-P energy: -97.348 bonds (distance) P-C4' energy: -114.951 flat angles C4'-P-C4' energy: -115.523 flat angles P-C4'-P energy: -86.916 tors. eta vs tors. theta energy: -155.415 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: 4, replica: 2 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1790.604377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.604377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.604377 (E_RNA) where: Base-Base interactions energy: -1256.365 where: short stacking energy: -524.722 Base-Backbone interact. energy: -0.397 local terms energy: -533.841883 where: bonds (distance) C4'-P energy: -85.459 bonds (distance) P-C4' energy: -104.439 flat angles C4'-P-C4' energy: -115.366 flat angles P-C4'-P energy: -73.662 tors. eta vs tors. theta energy: -154.916 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: 1 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1780.976921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.976921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.976921 (E_RNA) where: Base-Base interactions energy: -1244.889 where: short stacking energy: -511.193 Base-Backbone interact. energy: -2.177 local terms energy: -533.910870 where: bonds (distance) C4'-P energy: -81.773 bonds (distance) P-C4' energy: -108.967 flat angles C4'-P-C4' energy: -120.438 flat angles P-C4'-P energy: -76.856 tors. eta vs tors. theta energy: -145.877 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: 6, replica: 5 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1557.448469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.448469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.448469 (E_RNA) where: Base-Base interactions energy: -1078.018 where: short stacking energy: -431.247 Base-Backbone interact. energy: -0.402 local terms energy: -479.028066 where: bonds (distance) C4'-P energy: -92.378 bonds (distance) P-C4' energy: -106.004 flat angles C4'-P-C4' energy: -103.033 flat angles P-C4'-P energy: -67.195 tors. eta vs tors. theta energy: -110.418 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: 7, replica: 9 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1517.979122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.979122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.979122 (E_RNA) where: Base-Base interactions energy: -1033.563 where: short stacking energy: -429.520 Base-Backbone interact. energy: 1.930 local terms energy: -486.346197 where: bonds (distance) C4'-P energy: -90.882 bonds (distance) P-C4' energy: -97.209 flat angles C4'-P-C4' energy: -107.464 flat angles P-C4'-P energy: -70.818 tors. eta vs tors. theta energy: -119.973 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: 8, replica: 6 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1363.615653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.615653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.615653 (E_RNA) where: Base-Base interactions energy: -919.923 where: short stacking energy: -390.802 Base-Backbone interact. energy: -1.937 local terms energy: -441.756097 where: bonds (distance) C4'-P energy: -100.780 bonds (distance) P-C4' energy: -105.203 flat angles C4'-P-C4' energy: -97.500 flat angles P-C4'-P energy: -47.940 tors. eta vs tors. theta energy: -90.333 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: 9, replica: 10 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1210.940831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.940831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.940831 (E_RNA) where: Base-Base interactions energy: -768.844 where: short stacking energy: -362.051 Base-Backbone interact. energy: 1.503 local terms energy: -443.600384 where: bonds (distance) C4'-P energy: -89.461 bonds (distance) P-C4' energy: -101.742 flat angles C4'-P-C4' energy: -97.688 flat angles P-C4'-P energy: -76.948 tors. eta vs tors. theta energy: -77.761 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: 10, replica: 7 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -1112.088852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.088852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.088852 (E_RNA) where: Base-Base interactions energy: -713.573 where: short stacking energy: -312.246 Base-Backbone interact. energy: 1.932 local terms energy: -400.447212 where: bonds (distance) C4'-P energy: -79.191 bonds (distance) P-C4' energy: -105.179 flat angles C4'-P-C4' energy: -103.714 flat angles P-C4'-P energy: -53.795 tors. eta vs tors. theta energy: -58.569 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: 8 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1886.744973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.744973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.744973 (E_RNA) where: Base-Base interactions energy: -1324.727 where: short stacking energy: -535.874 Base-Backbone interact. energy: 3.609 local terms energy: -565.627353 where: bonds (distance) C4'-P energy: -106.003 bonds (distance) P-C4' energy: -117.006 flat angles C4'-P-C4' energy: -114.726 flat angles P-C4'-P energy: -76.862 tors. eta vs tors. theta energy: -151.031 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: 2, replica: 4 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1849.112585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.112585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.112585 (E_RNA) where: Base-Base interactions energy: -1285.664 where: short stacking energy: -534.493 Base-Backbone interact. energy: 1.097 local terms energy: -564.546221 where: bonds (distance) C4'-P energy: -99.766 bonds (distance) P-C4' energy: -109.823 flat angles C4'-P-C4' energy: -119.922 flat angles P-C4'-P energy: -79.062 tors. eta vs tors. theta energy: -155.972 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: 3, replica: 2 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1805.512477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.512477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.512477 (E_RNA) where: Base-Base interactions energy: -1260.252 where: short stacking energy: -519.931 Base-Backbone interact. energy: -1.330 local terms energy: -543.930084 where: bonds (distance) C4'-P energy: -105.293 bonds (distance) P-C4' energy: -108.318 flat angles C4'-P-C4' energy: -113.443 flat angles P-C4'-P energy: -80.422 tors. eta vs tors. theta energy: -136.454 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: 4, replica: 3 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1817.515660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.515660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.515660 (E_RNA) where: Base-Base interactions energy: -1278.387 where: short stacking energy: -538.564 Base-Backbone interact. energy: -1.007 local terms energy: -538.120891 where: bonds (distance) C4'-P energy: -96.614 bonds (distance) P-C4' energy: -102.484 flat angles C4'-P-C4' energy: -106.645 flat angles P-C4'-P energy: -78.772 tors. eta vs tors. theta energy: -153.607 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: 1 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1704.481691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.481691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.481691 (E_RNA) where: Base-Base interactions energy: -1171.539 where: short stacking energy: -498.085 Base-Backbone interact. energy: 0.777 local terms energy: -533.718961 where: bonds (distance) C4'-P energy: -90.595 bonds (distance) P-C4' energy: -112.634 flat angles C4'-P-C4' energy: -108.593 flat angles P-C4'-P energy: -72.924 tors. eta vs tors. theta energy: -148.973 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: 158 Temperature: 1.150000 Total energy: -1563.546916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.546916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.546916 (E_RNA) where: Base-Base interactions energy: -1090.806 where: short stacking energy: -425.276 Base-Backbone interact. energy: 6.015 local terms energy: -478.755330 where: bonds (distance) C4'-P energy: -100.684 bonds (distance) P-C4' energy: -104.932 flat angles C4'-P-C4' energy: -95.868 flat angles P-C4'-P energy: -60.071 tors. eta vs tors. theta energy: -117.200 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: 7, replica: 9 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1487.307506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.307506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.307506 (E_RNA) where: Base-Base interactions energy: -1023.992 where: short stacking energy: -430.628 Base-Backbone interact. energy: 0.050 local terms energy: -463.365885 where: bonds (distance) C4'-P energy: -86.360 bonds (distance) P-C4' energy: -100.688 flat angles C4'-P-C4' energy: -97.674 flat angles P-C4'-P energy: -68.164 tors. eta vs tors. theta energy: -110.480 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: 8, replica: 6 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1371.573530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.573530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.573530 (E_RNA) where: Base-Base interactions energy: -938.628 where: short stacking energy: -399.364 Base-Backbone interact. energy: 2.446 local terms energy: -435.391442 where: bonds (distance) C4'-P energy: -79.246 bonds (distance) P-C4' energy: -87.144 flat angles C4'-P-C4' energy: -104.814 flat angles P-C4'-P energy: -68.490 tors. eta vs tors. theta energy: -95.698 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: 9, replica: 10 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1229.197442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.197442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.197442 (E_RNA) where: Base-Base interactions energy: -798.649 where: short stacking energy: -363.997 Base-Backbone interact. energy: 1.187 local terms energy: -431.735075 where: bonds (distance) C4'-P energy: -74.876 bonds (distance) P-C4' energy: -110.329 flat angles C4'-P-C4' energy: -100.904 flat angles P-C4'-P energy: -60.837 tors. eta vs tors. theta energy: -84.789 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: 10, replica: 7 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -1120.863384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.863384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.863384 (E_RNA) where: Base-Base interactions energy: -710.751 where: short stacking energy: -305.430 Base-Backbone interact. energy: -1.320 local terms energy: -408.792791 where: bonds (distance) C4'-P energy: -83.211 bonds (distance) P-C4' energy: -99.998 flat angles C4'-P-C4' energy: -89.504 flat angles P-C4'-P energy: -63.998 tors. eta vs tors. theta energy: -72.082 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: 1, replica: 8 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1902.822401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.822401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.822401 (E_RNA) where: Base-Base interactions energy: -1346.840 where: short stacking energy: -542.728 Base-Backbone interact. energy: 7.876 local terms energy: -563.858505 where: bonds (distance) C4'-P energy: -96.851 bonds (distance) P-C4' energy: -108.617 flat angles C4'-P-C4' energy: -114.204 flat angles P-C4'-P energy: -89.858 tors. eta vs tors. theta energy: -154.328 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: 4 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1837.431113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.431113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.431113 (E_RNA) where: Base-Base interactions energy: -1287.213 where: short stacking energy: -532.083 Base-Backbone interact. energy: 0.436 local terms energy: -550.653866 where: bonds (distance) C4'-P energy: -96.900 bonds (distance) P-C4' energy: -103.255 flat angles C4'-P-C4' energy: -117.615 flat angles P-C4'-P energy: -81.019 tors. eta vs tors. theta energy: -151.864 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: 3, replica: 2 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1815.442259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.442259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.442259 (E_RNA) where: Base-Base interactions energy: -1267.120 where: short stacking energy: -531.529 Base-Backbone interact. energy: 4.750 local terms energy: -553.071719 where: bonds (distance) C4'-P energy: -93.687 bonds (distance) P-C4' energy: -111.143 flat angles C4'-P-C4' energy: -113.276 flat angles P-C4'-P energy: -79.883 tors. eta vs tors. theta energy: -155.083 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: 4, replica: 1 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1761.935985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.935985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.935985 (E_RNA) where: Base-Base interactions energy: -1239.823 where: short stacking energy: -525.056 Base-Backbone interact. energy: 2.875 local terms energy: -524.988156 where: bonds (distance) C4'-P energy: -82.846 bonds (distance) P-C4' energy: -100.871 flat angles C4'-P-C4' energy: -110.070 flat angles P-C4'-P energy: -75.062 tors. eta vs tors. theta energy: -156.138 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: 3 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1765.520579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.520579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.520579 (E_RNA) where: Base-Base interactions energy: -1252.080 where: short stacking energy: -527.891 Base-Backbone interact. energy: -0.943 local terms energy: -512.497468 where: bonds (distance) C4'-P energy: -94.102 bonds (distance) P-C4' energy: -93.493 flat angles C4'-P-C4' energy: -109.872 flat angles P-C4'-P energy: -69.505 tors. eta vs tors. theta energy: -145.526 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: 5 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1563.746985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.746985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.746985 (E_RNA) where: Base-Base interactions energy: -1086.047 where: short stacking energy: -453.327 Base-Backbone interact. energy: 2.428 local terms energy: -480.127859 where: bonds (distance) C4'-P energy: -100.093 bonds (distance) P-C4' energy: -104.070 flat angles C4'-P-C4' energy: -95.812 flat angles P-C4'-P energy: -67.787 tors. eta vs tors. theta energy: -112.366 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: 7, replica: 9 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1494.315739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.315739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.315739 (E_RNA) where: Base-Base interactions energy: -1029.050 where: short stacking energy: -411.332 Base-Backbone interact. energy: 0.583 local terms energy: -465.848477 where: bonds (distance) C4'-P energy: -95.246 bonds (distance) P-C4' energy: -104.898 flat angles C4'-P-C4' energy: -97.930 flat angles P-C4'-P energy: -66.439 tors. eta vs tors. theta energy: -101.336 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: 8, replica: 6 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1346.531841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.531841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.531841 (E_RNA) where: Base-Base interactions energy: -902.257 where: short stacking energy: -390.602 Base-Backbone interact. energy: 2.250 local terms energy: -446.524807 where: bonds (distance) C4'-P energy: -89.851 bonds (distance) P-C4' energy: -95.323 flat angles C4'-P-C4' energy: -102.284 flat angles P-C4'-P energy: -60.453 tors. eta vs tors. theta energy: -98.614 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: 10 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1155.281058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.281058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.281058 (E_RNA) where: Base-Base interactions energy: -783.797 where: short stacking energy: -349.143 Base-Backbone interact. energy: -2.541 local terms energy: -368.942799 where: bonds (distance) C4'-P energy: -76.944 bonds (distance) P-C4' energy: -90.684 flat angles C4'-P-C4' energy: -81.014 flat angles P-C4'-P energy: -52.585 tors. eta vs tors. theta energy: -67.717 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: 10, replica: 7 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -1100.963348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.963348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.963348 (E_RNA) where: Base-Base interactions energy: -701.796 where: short stacking energy: -326.930 Base-Backbone interact. energy: 2.451 local terms energy: -401.617940 where: bonds (distance) C4'-P energy: -84.694 bonds (distance) P-C4' energy: -103.977 flat angles C4'-P-C4' energy: -81.933 flat angles P-C4'-P energy: -53.198 tors. eta vs tors. theta energy: -77.817 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: 1, replica: 4 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1875.630369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.630369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.630369 (E_RNA) where: Base-Base interactions energy: -1308.278 where: short stacking energy: -527.518 Base-Backbone interact. energy: -2.402 local terms energy: -564.950200 where: bonds (distance) C4'-P energy: -101.235 bonds (distance) P-C4' energy: -111.309 flat angles C4'-P-C4' energy: -117.089 flat angles P-C4'-P energy: -83.505 tors. eta vs tors. theta energy: -151.812 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: 2, replica: 8 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1875.580459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.580459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.580459 (E_RNA) where: Base-Base interactions energy: -1315.643 where: short stacking energy: -527.101 Base-Backbone interact. energy: -1.261 local terms energy: -558.676259 where: bonds (distance) C4'-P energy: -106.971 bonds (distance) P-C4' energy: -121.236 flat angles C4'-P-C4' energy: -114.353 flat angles P-C4'-P energy: -70.800 tors. eta vs tors. theta energy: -145.316 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: 2 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1795.951029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.951029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.951029 (E_RNA) where: Base-Base interactions energy: -1264.971 where: short stacking energy: -508.019 Base-Backbone interact. energy: -0.723 local terms energy: -530.257114 where: bonds (distance) C4'-P energy: -92.120 bonds (distance) P-C4' energy: -100.016 flat angles C4'-P-C4' energy: -115.799 flat angles P-C4'-P energy: -76.476 tors. eta vs tors. theta energy: -145.846 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: 4, replica: 1 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1771.113467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.113467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.113467 (E_RNA) where: Base-Base interactions energy: -1233.610 where: short stacking energy: -489.157 Base-Backbone interact. energy: -3.581 local terms energy: -533.922348 where: bonds (distance) C4'-P energy: -85.704 bonds (distance) P-C4' energy: -112.594 flat angles C4'-P-C4' energy: -117.609 flat angles P-C4'-P energy: -68.345 tors. eta vs tors. theta energy: -149.670 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: 3 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1769.921663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.921663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.921663 (E_RNA) where: Base-Base interactions energy: -1225.637 where: short stacking energy: -487.449 Base-Backbone interact. energy: -2.688 local terms energy: -541.596813 where: bonds (distance) C4'-P energy: -100.503 bonds (distance) P-C4' energy: -111.390 flat angles C4'-P-C4' energy: -108.388 flat angles P-C4'-P energy: -77.620 tors. eta vs tors. theta energy: -143.697 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: 6, replica: 5 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1584.785469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.785469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.785469 (E_RNA) where: Base-Base interactions energy: -1100.613 where: short stacking energy: -453.285 Base-Backbone interact. energy: -0.322 local terms energy: -483.850419 where: bonds (distance) C4'-P energy: -102.530 bonds (distance) P-C4' energy: -97.969 flat angles C4'-P-C4' energy: -95.987 flat angles P-C4'-P energy: -69.532 tors. eta vs tors. theta energy: -117.832 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: 9 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1508.425279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.425279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.425279 (E_RNA) where: Base-Base interactions energy: -1030.359 where: short stacking energy: -436.144 Base-Backbone interact. energy: -1.145 local terms energy: -476.920722 where: bonds (distance) C4'-P energy: -98.637 bonds (distance) P-C4' energy: -96.771 flat angles C4'-P-C4' energy: -98.536 flat angles P-C4'-P energy: -68.515 tors. eta vs tors. theta energy: -114.461 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: 8, replica: 6 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1345.365747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.365747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.365747 (E_RNA) where: Base-Base interactions energy: -912.113 where: short stacking energy: -378.761 Base-Backbone interact. energy: -0.390 local terms energy: -432.862329 where: bonds (distance) C4'-P energy: -74.041 bonds (distance) P-C4' energy: -108.710 flat angles C4'-P-C4' energy: -98.112 flat angles P-C4'-P energy: -59.088 tors. eta vs tors. theta energy: -92.911 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: 9, replica: 7 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1100.626041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.626041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.626041 (E_RNA) where: Base-Base interactions energy: -700.250 where: short stacking energy: -320.552 Base-Backbone interact. energy: 8.797 local terms energy: -409.172988 where: bonds (distance) C4'-P energy: -88.503 bonds (distance) P-C4' energy: -105.432 flat angles C4'-P-C4' energy: -87.981 flat angles P-C4'-P energy: -59.481 tors. eta vs tors. theta energy: -67.775 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: 10 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -1140.643756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.643756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.643756 (E_RNA) where: Base-Base interactions energy: -752.134 where: short stacking energy: -336.662 Base-Backbone interact. energy: -0.603 local terms energy: -387.907562 where: bonds (distance) C4'-P energy: -89.331 bonds (distance) P-C4' energy: -79.011 flat angles C4'-P-C4' energy: -90.222 flat angles P-C4'-P energy: -58.515 tors. eta vs tors. theta energy: -70.828 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: 4 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1885.574227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.574227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.574227 (E_RNA) where: Base-Base interactions energy: -1309.701 where: short stacking energy: -551.131 Base-Backbone interact. energy: -0.649 local terms energy: -575.224819 where: bonds (distance) C4'-P energy: -104.252 bonds (distance) P-C4' energy: -120.721 flat angles C4'-P-C4' energy: -117.047 flat angles P-C4'-P energy: -78.191 tors. eta vs tors. theta energy: -155.013 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: 2, replica: 8 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1870.596121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.596121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.596121 (E_RNA) where: Base-Base interactions energy: -1315.237 where: short stacking energy: -528.978 Base-Backbone interact. energy: -0.452 local terms energy: -554.907156 where: bonds (distance) C4'-P energy: -95.054 bonds (distance) P-C4' energy: -114.089 flat angles C4'-P-C4' energy: -115.425 flat angles P-C4'-P energy: -86.885 tors. eta vs tors. theta energy: -143.453 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: 3, replica: 2 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1841.192334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.192334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.192334 (E_RNA) where: Base-Base interactions energy: -1294.701 where: short stacking energy: -522.449 Base-Backbone interact. energy: -0.465 local terms energy: -546.026254 where: bonds (distance) C4'-P energy: -97.780 bonds (distance) P-C4' energy: -114.778 flat angles C4'-P-C4' energy: -107.962 flat angles P-C4'-P energy: -74.894 tors. eta vs tors. theta energy: -150.613 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: 4, replica: 1 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1775.584338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.584338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.584338 (E_RNA) where: Base-Base interactions energy: -1254.247 where: short stacking energy: -512.546 Base-Backbone interact. energy: -2.009 local terms energy: -519.328564 where: bonds (distance) C4'-P energy: -93.907 bonds (distance) P-C4' energy: -98.582 flat angles C4'-P-C4' energy: -103.896 flat angles P-C4'-P energy: -70.749 tors. eta vs tors. theta energy: -152.194 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: 5, replica: 3 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1739.091110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.091110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.091110 (E_RNA) where: Base-Base interactions energy: -1215.215 where: short stacking energy: -499.069 Base-Backbone interact. energy: 3.673 local terms energy: -527.549549 where: bonds (distance) C4'-P energy: -93.023 bonds (distance) P-C4' energy: -113.598 flat angles C4'-P-C4' energy: -106.868 flat angles P-C4'-P energy: -71.134 tors. eta vs tors. theta energy: -142.927 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: 5 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1543.561357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.561357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.561357 (E_RNA) where: Base-Base interactions energy: -1080.687 where: short stacking energy: -456.747 Base-Backbone interact. energy: 5.104 local terms energy: -467.978786 where: bonds (distance) C4'-P energy: -87.811 bonds (distance) P-C4' energy: -106.174 flat angles C4'-P-C4' energy: -100.970 flat angles P-C4'-P energy: -67.281 tors. eta vs tors. theta energy: -105.742 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: 9 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1456.471574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.471574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.471574 (E_RNA) where: Base-Base interactions energy: -994.405 where: short stacking energy: -438.088 Base-Backbone interact. energy: -0.791 local terms energy: -461.276504 where: bonds (distance) C4'-P energy: -83.152 bonds (distance) P-C4' energy: -92.725 flat angles C4'-P-C4' energy: -109.598 flat angles P-C4'-P energy: -69.320 tors. eta vs tors. theta energy: -106.482 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: 8, replica: 6 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1350.440981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.440981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.440981 (E_RNA) where: Base-Base interactions energy: -927.067 where: short stacking energy: -384.101 Base-Backbone interact. energy: 0.754 local terms energy: -424.127324 where: bonds (distance) C4'-P energy: -80.101 bonds (distance) P-C4' energy: -97.994 flat angles C4'-P-C4' energy: -103.647 flat angles P-C4'-P energy: -59.851 tors. eta vs tors. theta energy: -82.534 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: 7 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1114.488606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.488606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.488606 (E_RNA) where: Base-Base interactions energy: -717.634 where: short stacking energy: -323.595 Base-Backbone interact. energy: 1.395 local terms energy: -398.248859 where: bonds (distance) C4'-P energy: -75.388 bonds (distance) P-C4' energy: -108.137 flat angles C4'-P-C4' energy: -86.615 flat angles P-C4'-P energy: -65.319 tors. eta vs tors. theta energy: -62.789 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: 10, replica: 10 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -1158.150803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.150803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.150803 (E_RNA) where: Base-Base interactions energy: -763.369 where: short stacking energy: -338.070 Base-Backbone interact. energy: 0.615 local terms energy: -395.396268 where: bonds (distance) C4'-P energy: -72.617 bonds (distance) P-C4' energy: -101.188 flat angles C4'-P-C4' energy: -100.575 flat angles P-C4'-P energy: -57.580 tors. eta vs tors. theta energy: -63.436 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: 1, replica: 4 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1895.589188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.589188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.589188 (E_RNA) where: Base-Base interactions energy: -1326.343 where: short stacking energy: -552.802 Base-Backbone interact. energy: -1.909 local terms energy: -567.336581 where: bonds (distance) C4'-P energy: -97.829 bonds (distance) P-C4' energy: -99.898 flat angles C4'-P-C4' energy: -122.328 flat angles P-C4'-P energy: -84.134 tors. eta vs tors. theta energy: -163.148 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: 2, replica: 8 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1869.234456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.234456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.234456 (E_RNA) where: Base-Base interactions energy: -1317.946 where: short stacking energy: -552.889 Base-Backbone interact. energy: -2.141 local terms energy: -549.146899 where: bonds (distance) C4'-P energy: -94.901 bonds (distance) P-C4' energy: -109.029 flat angles C4'-P-C4' energy: -113.855 flat angles P-C4'-P energy: -79.677 tors. eta vs tors. theta energy: -151.685 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: 3, replica: 2 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1836.640604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.640604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.640604 (E_RNA) where: Base-Base interactions energy: -1278.457 where: short stacking energy: -531.371 Base-Backbone interact. energy: 2.844 local terms energy: -561.027663 where: bonds (distance) C4'-P energy: -110.367 bonds (distance) P-C4' energy: -114.411 flat angles C4'-P-C4' energy: -114.995 flat angles P-C4'-P energy: -73.532 tors. eta vs tors. theta energy: -147.722 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: 4, replica: 1 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1773.460840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.460840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.460840 (E_RNA) where: Base-Base interactions energy: -1256.446 where: short stacking energy: -514.396 Base-Backbone interact. energy: -1.772 local terms energy: -515.242822 where: bonds (distance) C4'-P energy: -93.199 bonds (distance) P-C4' energy: -105.416 flat angles C4'-P-C4' energy: -100.696 flat angles P-C4'-P energy: -70.474 tors. eta vs tors. theta energy: -145.457 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: 5, replica: 3 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1723.378690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.378690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.378690 (E_RNA) where: Base-Base interactions energy: -1213.335 where: short stacking energy: -501.982 Base-Backbone interact. energy: 3.100 local terms energy: -513.143664 where: bonds (distance) C4'-P energy: -87.844 bonds (distance) P-C4' energy: -107.832 flat angles C4'-P-C4' energy: -110.139 flat angles P-C4'-P energy: -68.017 tors. eta vs tors. theta energy: -139.312 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: 6, replica: 5 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1592.117490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.117490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.117490 (E_RNA) where: Base-Base interactions energy: -1113.464 where: short stacking energy: -447.269 Base-Backbone interact. energy: 2.018 local terms energy: -480.670545 where: bonds (distance) C4'-P energy: -92.280 bonds (distance) P-C4' energy: -96.632 flat angles C4'-P-C4' energy: -107.612 flat angles P-C4'-P energy: -75.344 tors. eta vs tors. theta energy: -108.803 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: 9 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1431.283919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.283919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.283919 (E_RNA) where: Base-Base interactions energy: -966.179 where: short stacking energy: -417.862 Base-Backbone interact. energy: -1.175 local terms energy: -463.930215 where: bonds (distance) C4'-P energy: -84.328 bonds (distance) P-C4' energy: -100.332 flat angles C4'-P-C4' energy: -97.653 flat angles P-C4'-P energy: -72.517 tors. eta vs tors. theta energy: -109.100 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: 8, replica: 6 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1340.944075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.944075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.944075 (E_RNA) where: Base-Base interactions energy: -907.214 where: short stacking energy: -385.662 Base-Backbone interact. energy: 6.060 local terms energy: -439.790211 where: bonds (distance) C4'-P energy: -102.058 bonds (distance) P-C4' energy: -98.460 flat angles C4'-P-C4' energy: -93.620 flat angles P-C4'-P energy: -60.507 tors. eta vs tors. theta energy: -85.145 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: 9, replica: 10 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1187.450237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.450237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.450237 (E_RNA) where: Base-Base interactions energy: -760.112 where: short stacking energy: -341.930 Base-Backbone interact. energy: 5.162 local terms energy: -432.500337 where: bonds (distance) C4'-P energy: -94.383 bonds (distance) P-C4' energy: -105.831 flat angles C4'-P-C4' energy: -83.690 flat angles P-C4'-P energy: -65.268 tors. eta vs tors. theta energy: -83.328 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: 7 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -1069.038451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.038451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.038451 (E_RNA) where: Base-Base interactions energy: -700.562 where: short stacking energy: -305.578 Base-Backbone interact. energy: 0.899 local terms energy: -369.375455 where: bonds (distance) C4'-P energy: -79.208 bonds (distance) P-C4' energy: -103.663 flat angles C4'-P-C4' energy: -84.260 flat angles P-C4'-P energy: -54.079 tors. eta vs tors. theta energy: -48.166 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: 1, replica: 4 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1881.891566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.891566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.891566 (E_RNA) where: Base-Base interactions energy: -1301.076 where: short stacking energy: -550.881 Base-Backbone interact. energy: -1.006 local terms energy: -579.809704 where: bonds (distance) C4'-P energy: -103.076 bonds (distance) P-C4' energy: -118.903 flat angles C4'-P-C4' energy: -121.649 flat angles P-C4'-P energy: -82.350 tors. eta vs tors. theta energy: -153.833 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: 2, replica: 8 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1858.508340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.508340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.508340 (E_RNA) where: Base-Base interactions energy: -1298.168 where: short stacking energy: -536.029 Base-Backbone interact. energy: 0.761 local terms energy: -561.101773 where: bonds (distance) C4'-P energy: -89.396 bonds (distance) P-C4' energy: -119.658 flat angles C4'-P-C4' energy: -123.043 flat angles P-C4'-P energy: -76.824 tors. eta vs tors. theta energy: -152.181 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: 3, replica: 2 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1849.717498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.717498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.717498 (E_RNA) where: Base-Base interactions energy: -1295.548 where: short stacking energy: -540.301 Base-Backbone interact. energy: -1.619 local terms energy: -552.550297 where: bonds (distance) C4'-P energy: -91.890 bonds (distance) P-C4' energy: -112.891 flat angles C4'-P-C4' energy: -116.288 flat angles P-C4'-P energy: -80.496 tors. eta vs tors. theta energy: -150.985 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: 1 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1831.423709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.423709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.423709 (E_RNA) where: Base-Base interactions energy: -1300.992 where: short stacking energy: -547.729 Base-Backbone interact. energy: 3.069 local terms energy: -533.500102 where: bonds (distance) C4'-P energy: -93.432 bonds (distance) P-C4' energy: -98.947 flat angles C4'-P-C4' energy: -104.712 flat angles P-C4'-P energy: -76.301 tors. eta vs tors. theta energy: -160.109 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: 5, replica: 3 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1680.607917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.607917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.607917 (E_RNA) where: Base-Base interactions energy: -1159.362 where: short stacking energy: -488.274 Base-Backbone interact. energy: -2.720 local terms energy: -518.526516 where: bonds (distance) C4'-P energy: -91.464 bonds (distance) P-C4' energy: -106.711 flat angles C4'-P-C4' energy: -114.288 flat angles P-C4'-P energy: -67.814 tors. eta vs tors. theta energy: -138.250 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: 6, replica: 5 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1606.411646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.411646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.411646 (E_RNA) where: Base-Base interactions energy: -1117.761 where: short stacking energy: -458.406 Base-Backbone interact. energy: 0.754 local terms energy: -489.404802 where: bonds (distance) C4'-P energy: -78.506 bonds (distance) P-C4' energy: -109.051 flat angles C4'-P-C4' energy: -104.301 flat angles P-C4'-P energy: -66.653 tors. eta vs tors. theta energy: -130.894 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: 9 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1435.267491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.267491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.267491 (E_RNA) where: Base-Base interactions energy: -970.641 where: short stacking energy: -409.021 Base-Backbone interact. energy: 2.759 local terms energy: -467.384887 where: bonds (distance) C4'-P energy: -98.155 bonds (distance) P-C4' energy: -105.907 flat angles C4'-P-C4' energy: -103.820 flat angles P-C4'-P energy: -57.510 tors. eta vs tors. theta energy: -101.993 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: 163 Temperature: 1.250000 Total energy: -1370.193106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.193106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.193106 (E_RNA) where: Base-Base interactions energy: -928.941 where: short stacking energy: -377.608 Base-Backbone interact. energy: 4.471 local terms energy: -445.722881 where: bonds (distance) C4'-P energy: -87.907 bonds (distance) P-C4' energy: -100.469 flat angles C4'-P-C4' energy: -103.242 flat angles P-C4'-P energy: -68.182 tors. eta vs tors. theta energy: -85.922 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: 9, replica: 10 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1172.681652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.681652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.681652 (E_RNA) where: Base-Base interactions energy: -757.921 where: short stacking energy: -334.384 Base-Backbone interact. energy: 3.780 local terms energy: -418.540273 where: bonds (distance) C4'-P energy: -87.009 bonds (distance) P-C4' energy: -98.965 flat angles C4'-P-C4' energy: -87.727 flat angles P-C4'-P energy: -65.834 tors. eta vs tors. theta energy: -79.006 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: 10, replica: 7 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -1077.928358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.928358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.928358 (E_RNA) where: Base-Base interactions energy: -693.487 where: short stacking energy: -314.708 Base-Backbone interact. energy: 1.800 local terms energy: -386.241252 where: bonds (distance) C4'-P energy: -90.189 bonds (distance) P-C4' energy: -91.012 flat angles C4'-P-C4' energy: -84.749 flat angles P-C4'-P energy: -63.051 tors. eta vs tors. theta energy: -57.241 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: 8 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1877.796463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.796463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.796463 (E_RNA) where: Base-Base interactions energy: -1322.409 where: short stacking energy: -544.612 Base-Backbone interact. energy: -1.662 local terms energy: -553.724690 where: bonds (distance) C4'-P energy: -100.162 bonds (distance) P-C4' energy: -104.327 flat angles C4'-P-C4' energy: -111.646 flat angles P-C4'-P energy: -86.428 tors. eta vs tors. theta energy: -151.161 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: 2, replica: 4 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1857.796021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.796021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.796021 (E_RNA) where: Base-Base interactions energy: -1298.258 where: short stacking energy: -534.902 Base-Backbone interact. energy: -0.574 local terms energy: -558.964480 where: bonds (distance) C4'-P energy: -91.184 bonds (distance) P-C4' energy: -108.374 flat angles C4'-P-C4' energy: -121.485 flat angles P-C4'-P energy: -84.746 tors. eta vs tors. theta energy: -153.176 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: 3, replica: 1 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1839.273258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.273258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.273258 (E_RNA) where: Base-Base interactions energy: -1288.102 where: short stacking energy: -525.645 Base-Backbone interact. energy: -1.141 local terms energy: -550.030707 where: bonds (distance) C4'-P energy: -95.191 bonds (distance) P-C4' energy: -108.755 flat angles C4'-P-C4' energy: -116.031 flat angles P-C4'-P energy: -78.007 tors. eta vs tors. theta energy: -152.047 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: 4, replica: 2 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1807.691132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.691132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.691132 (E_RNA) where: Base-Base interactions energy: -1268.290 where: short stacking energy: -531.008 Base-Backbone interact. energy: 3.370 local terms energy: -542.770752 where: bonds (distance) C4'-P energy: -91.803 bonds (distance) P-C4' energy: -96.112 flat angles C4'-P-C4' energy: -121.723 flat angles P-C4'-P energy: -83.824 tors. eta vs tors. theta energy: -149.308 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: 5, replica: 3 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1693.020447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.020447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.020447 (E_RNA) where: Base-Base interactions energy: -1186.046 where: short stacking energy: -493.641 Base-Backbone interact. energy: 3.159 local terms energy: -510.133187 where: bonds (distance) C4'-P energy: -99.907 bonds (distance) P-C4' energy: -106.838 flat angles C4'-P-C4' energy: -104.480 flat angles P-C4'-P energy: -70.701 tors. eta vs tors. theta energy: -128.208 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: 5 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1589.027422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.027422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.027422 (E_RNA) where: Base-Base interactions energy: -1099.732 where: short stacking energy: -429.524 Base-Backbone interact. energy: -2.969 local terms energy: -486.326580 where: bonds (distance) C4'-P energy: -88.652 bonds (distance) P-C4' energy: -107.769 flat angles C4'-P-C4' energy: -102.038 flat angles P-C4'-P energy: -71.897 tors. eta vs tors. theta energy: -115.971 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: 9 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1444.839662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.839662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.839662 (E_RNA) where: Base-Base interactions energy: -1001.257 where: short stacking energy: -433.278 Base-Backbone interact. energy: 4.198 local terms energy: -447.781203 where: bonds (distance) C4'-P energy: -90.536 bonds (distance) P-C4' energy: -98.414 flat angles C4'-P-C4' energy: -95.842 flat angles P-C4'-P energy: -58.655 tors. eta vs tors. theta energy: -104.334 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: 8, replica: 6 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1355.484001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.484001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.484001 (E_RNA) where: Base-Base interactions energy: -896.934 where: short stacking energy: -391.981 Base-Backbone interact. energy: 0.920 local terms energy: -459.469696 where: bonds (distance) C4'-P energy: -92.384 bonds (distance) P-C4' energy: -94.068 flat angles C4'-P-C4' energy: -99.512 flat angles P-C4'-P energy: -68.255 tors. eta vs tors. theta energy: -105.250 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: 10 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1153.485576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.485576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.485576 (E_RNA) where: Base-Base interactions energy: -737.535 where: short stacking energy: -328.848 Base-Backbone interact. energy: 4.309 local terms energy: -420.260079 where: bonds (distance) C4'-P energy: -90.532 bonds (distance) P-C4' energy: -112.062 flat angles C4'-P-C4' energy: -89.200 flat angles P-C4'-P energy: -59.528 tors. eta vs tors. theta energy: -68.938 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: 7 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -1101.756039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.756039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.756039 (E_RNA) where: Base-Base interactions energy: -705.878 where: short stacking energy: -319.863 Base-Backbone interact. energy: 0.698 local terms energy: -396.575999 where: bonds (distance) C4'-P energy: -75.919 bonds (distance) P-C4' energy: -100.581 flat angles C4'-P-C4' energy: -97.877 flat angles P-C4'-P energy: -60.644 tors. eta vs tors. theta energy: -61.555 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: 1, replica: 8 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1914.957466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.957466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.957466 (E_RNA) where: Base-Base interactions energy: -1357.718 where: short stacking energy: -550.815 Base-Backbone interact. energy: -2.744 local terms energy: -554.494609 where: bonds (distance) C4'-P energy: -99.470 bonds (distance) P-C4' energy: -113.849 flat angles C4'-P-C4' energy: -112.959 flat angles P-C4'-P energy: -74.258 tors. eta vs tors. theta energy: -153.959 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: 2, replica: 4 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1866.301882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.301882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.301882 (E_RNA) where: Base-Base interactions energy: -1286.421 where: short stacking energy: -525.572 Base-Backbone interact. energy: -1.137 local terms energy: -578.744174 where: bonds (distance) C4'-P energy: -91.647 bonds (distance) P-C4' energy: -123.895 flat angles C4'-P-C4' energy: -121.023 flat angles P-C4'-P energy: -85.985 tors. eta vs tors. theta energy: -156.194 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: 3, replica: 1 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1829.410916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.410916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.410916 (E_RNA) where: Base-Base interactions energy: -1260.695 where: short stacking energy: -520.207 Base-Backbone interact. energy: 1.728 local terms energy: -570.444338 where: bonds (distance) C4'-P energy: -98.774 bonds (distance) P-C4' energy: -122.904 flat angles C4'-P-C4' energy: -117.981 flat angles P-C4'-P energy: -79.253 tors. eta vs tors. theta energy: -151.533 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: 4, replica: 2 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1805.604385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.604385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.604385 (E_RNA) where: Base-Base interactions energy: -1263.025 where: short stacking energy: -528.087 Base-Backbone interact. energy: -0.987 local terms energy: -541.591968 where: bonds (distance) C4'-P energy: -86.082 bonds (distance) P-C4' energy: -112.875 flat angles C4'-P-C4' energy: -111.487 flat angles P-C4'-P energy: -79.684 tors. eta vs tors. theta energy: -151.463 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: 5, replica: 3 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1735.796276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.796276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.796276 (E_RNA) where: Base-Base interactions energy: -1183.915 where: short stacking energy: -504.395 Base-Backbone interact. energy: -0.623 local terms energy: -551.258454 where: bonds (distance) C4'-P energy: -96.554 bonds (distance) P-C4' energy: -111.161 flat angles C4'-P-C4' energy: -107.383 flat angles P-C4'-P energy: -87.962 tors. eta vs tors. theta energy: -148.199 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: 6, replica: 5 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1566.748358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.748358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.748358 (E_RNA) where: Base-Base interactions energy: -1099.567 where: short stacking energy: -444.292 Base-Backbone interact. energy: 0.977 local terms energy: -468.158007 where: bonds (distance) C4'-P energy: -104.456 bonds (distance) P-C4' energy: -84.755 flat angles C4'-P-C4' energy: -102.575 flat angles P-C4'-P energy: -66.181 tors. eta vs tors. theta energy: -110.191 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: 7, replica: 9 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1424.505993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.505993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.505993 (E_RNA) where: Base-Base interactions energy: -974.581 where: short stacking energy: -406.805 Base-Backbone interact. energy: -2.163 local terms energy: -447.762248 where: bonds (distance) C4'-P energy: -78.805 bonds (distance) P-C4' energy: -109.027 flat angles C4'-P-C4' energy: -101.289 flat angles P-C4'-P energy: -60.338 tors. eta vs tors. theta energy: -98.304 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: 8, replica: 6 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1426.819644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.819644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.819644 (E_RNA) where: Base-Base interactions energy: -972.411 where: short stacking energy: -422.162 Base-Backbone interact. energy: 0.669 local terms energy: -455.078286 where: bonds (distance) C4'-P energy: -89.006 bonds (distance) P-C4' energy: -105.134 flat angles C4'-P-C4' energy: -99.761 flat angles P-C4'-P energy: -64.616 tors. eta vs tors. theta energy: -96.561 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: 10 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1131.405359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.405359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.405359 (E_RNA) where: Base-Base interactions energy: -719.431 where: short stacking energy: -305.146 Base-Backbone interact. energy: 0.503 local terms energy: -412.476992 where: bonds (distance) C4'-P energy: -81.665 bonds (distance) P-C4' energy: -105.042 flat angles C4'-P-C4' energy: -89.091 flat angles P-C4'-P energy: -76.352 tors. eta vs tors. theta energy: -60.326 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: 10, replica: 7 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -1070.821226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.821226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.821226 (E_RNA) where: Base-Base interactions energy: -697.250 where: short stacking energy: -310.547 Base-Backbone interact. energy: 2.604 local terms energy: -376.176032 where: bonds (distance) C4'-P energy: -76.486 bonds (distance) P-C4' energy: -88.371 flat angles C4'-P-C4' energy: -92.083 flat angles P-C4'-P energy: -64.739 tors. eta vs tors. theta energy: -54.497 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: 1, replica: 8 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1909.905663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.905663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.905663 (E_RNA) where: Base-Base interactions energy: -1352.363 where: short stacking energy: -557.078 Base-Backbone interact. energy: 0.686 local terms energy: -558.229096 where: bonds (distance) C4'-P energy: -96.339 bonds (distance) P-C4' energy: -118.379 flat angles C4'-P-C4' energy: -109.441 flat angles P-C4'-P energy: -76.687 tors. eta vs tors. theta energy: -157.383 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: 4 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1864.231904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.231904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.231904 (E_RNA) where: Base-Base interactions energy: -1297.383 where: short stacking energy: -520.442 Base-Backbone interact. energy: -1.647 local terms energy: -565.202161 where: bonds (distance) C4'-P energy: -103.337 bonds (distance) P-C4' energy: -113.359 flat angles C4'-P-C4' energy: -122.734 flat angles P-C4'-P energy: -73.606 tors. eta vs tors. theta energy: -152.166 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: 3, replica: 2 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1829.926086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.926086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.926086 (E_RNA) where: Base-Base interactions energy: -1277.519 where: short stacking energy: -519.980 Base-Backbone interact. energy: 2.744 local terms energy: -555.151160 where: bonds (distance) C4'-P energy: -95.140 bonds (distance) P-C4' energy: -106.038 flat angles C4'-P-C4' energy: -123.154 flat angles P-C4'-P energy: -79.534 tors. eta vs tors. theta energy: -151.285 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: 4, replica: 1 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1791.204289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.204289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.204289 (E_RNA) where: Base-Base interactions energy: -1255.294 where: short stacking energy: -501.331 Base-Backbone interact. energy: -0.160 local terms energy: -535.750073 where: bonds (distance) C4'-P energy: -81.592 bonds (distance) P-C4' energy: -108.991 flat angles C4'-P-C4' energy: -114.590 flat angles P-C4'-P energy: -80.344 tors. eta vs tors. theta energy: -150.233 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: 5, replica: 3 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1757.195360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.195360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.195360 (E_RNA) where: Base-Base interactions energy: -1219.516 where: short stacking energy: -510.436 Base-Backbone interact. energy: 4.872 local terms energy: -542.551837 where: bonds (distance) C4'-P energy: -86.914 bonds (distance) P-C4' energy: -112.600 flat angles C4'-P-C4' energy: -120.155 flat angles P-C4'-P energy: -76.753 tors. eta vs tors. theta energy: -146.130 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: 6, replica: 5 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1573.362030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.362030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.362030 (E_RNA) where: Base-Base interactions energy: -1087.085 where: short stacking energy: -439.917 Base-Backbone interact. energy: 0.297 local terms energy: -486.574568 where: bonds (distance) C4'-P energy: -88.419 bonds (distance) P-C4' energy: -98.674 flat angles C4'-P-C4' energy: -109.421 flat angles P-C4'-P energy: -68.654 tors. eta vs tors. theta energy: -121.406 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: 7, replica: 6 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1473.311655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.311655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.311655 (E_RNA) where: Base-Base interactions energy: -1001.442 where: short stacking energy: -442.960 Base-Backbone interact. energy: -2.924 local terms energy: -468.944921 where: bonds (distance) C4'-P energy: -84.255 bonds (distance) P-C4' energy: -97.600 flat angles C4'-P-C4' energy: -110.505 flat angles P-C4'-P energy: -69.230 tors. eta vs tors. theta energy: -107.355 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: 8, replica: 9 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1436.048952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.048952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.048952 (E_RNA) where: Base-Base interactions energy: -994.627 where: short stacking energy: -407.683 Base-Backbone interact. energy: 4.704 local terms energy: -446.125718 where: bonds (distance) C4'-P energy: -79.890 bonds (distance) P-C4' energy: -99.261 flat angles C4'-P-C4' energy: -90.513 flat angles P-C4'-P energy: -70.259 tors. eta vs tors. theta energy: -106.203 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: 10 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1130.950121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.950121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.950121 (E_RNA) where: Base-Base interactions energy: -734.585 where: short stacking energy: -335.600 Base-Backbone interact. energy: -0.526 local terms energy: -395.839912 where: bonds (distance) C4'-P energy: -83.020 bonds (distance) P-C4' energy: -92.885 flat angles C4'-P-C4' energy: -87.824 flat angles P-C4'-P energy: -61.469 tors. eta vs tors. theta energy: -70.641 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: 10, replica: 7 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -1061.965081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.965081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.965081 (E_RNA) where: Base-Base interactions energy: -676.946 where: short stacking energy: -281.879 Base-Backbone interact. energy: 5.433 local terms energy: -390.452064 where: bonds (distance) C4'-P energy: -72.820 bonds (distance) P-C4' energy: -105.464 flat angles C4'-P-C4' energy: -95.409 flat angles P-C4'-P energy: -66.605 tors. eta vs tors. theta energy: -50.154 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: 1, replica: 8 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1904.529903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.529903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.529903 (E_RNA) where: Base-Base interactions energy: -1334.883 where: short stacking energy: -559.633 Base-Backbone interact. energy: -1.726 local terms energy: -567.920912 where: bonds (distance) C4'-P energy: -91.642 bonds (distance) P-C4' energy: -118.180 flat angles C4'-P-C4' energy: -118.086 flat angles P-C4'-P energy: -88.939 tors. eta vs tors. theta energy: -151.074 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: 2 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1894.351371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.351371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.351371 (E_RNA) where: Base-Base interactions energy: -1324.937 where: short stacking energy: -564.314 Base-Backbone interact. energy: -1.896 local terms energy: -567.518383 where: bonds (distance) C4'-P energy: -93.070 bonds (distance) P-C4' energy: -105.568 flat angles C4'-P-C4' energy: -120.242 flat angles P-C4'-P energy: -85.764 tors. eta vs tors. theta energy: -162.874 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: 3, replica: 4 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1840.356627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.356627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.356627 (E_RNA) where: Base-Base interactions energy: -1281.351 where: short stacking energy: -527.984 Base-Backbone interact. energy: 1.910 local terms energy: -560.915738 where: bonds (distance) C4'-P energy: -105.197 bonds (distance) P-C4' energy: -110.574 flat angles C4'-P-C4' energy: -112.146 flat angles P-C4'-P energy: -79.555 tors. eta vs tors. theta energy: -153.445 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: 4, replica: 1 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1807.536457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.536457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.536457 (E_RNA) where: Base-Base interactions energy: -1276.599 where: short stacking energy: -521.162 Base-Backbone interact. energy: -0.701 local terms energy: -530.235730 where: bonds (distance) C4'-P energy: -96.363 bonds (distance) P-C4' energy: -106.050 flat angles C4'-P-C4' energy: -106.714 flat angles P-C4'-P energy: -73.897 tors. eta vs tors. theta energy: -147.211 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: 3 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1732.534013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.534013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.534013 (E_RNA) where: Base-Base interactions energy: -1201.463 where: short stacking energy: -511.439 Base-Backbone interact. energy: -1.565 local terms energy: -529.506097 where: bonds (distance) C4'-P energy: -98.442 bonds (distance) P-C4' energy: -98.713 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -76.285 tors. eta vs tors. theta energy: -142.996 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: 6, replica: 5 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1571.569699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.569699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.569699 (E_RNA) where: Base-Base interactions energy: -1088.779 where: short stacking energy: -434.519 Base-Backbone interact. energy: -0.549 local terms energy: -482.241955 where: bonds (distance) C4'-P energy: -85.457 bonds (distance) P-C4' energy: -99.027 flat angles C4'-P-C4' energy: -107.800 flat angles P-C4'-P energy: -75.821 tors. eta vs tors. theta energy: -114.138 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: 7, replica: 6 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1486.824165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.824165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.824165 (E_RNA) where: Base-Base interactions energy: -1014.212 where: short stacking energy: -429.764 Base-Backbone interact. energy: 5.673 local terms energy: -478.285249 where: bonds (distance) C4'-P energy: -80.089 bonds (distance) P-C4' energy: -109.674 flat angles C4'-P-C4' energy: -104.374 flat angles P-C4'-P energy: -74.120 tors. eta vs tors. theta energy: -110.028 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: 8, replica: 9 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1418.614384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.614384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.614384 (E_RNA) where: Base-Base interactions energy: -971.147 where: short stacking energy: -390.589 Base-Backbone interact. energy: 1.255 local terms energy: -448.721832 where: bonds (distance) C4'-P energy: -84.240 bonds (distance) P-C4' energy: -112.847 flat angles C4'-P-C4' energy: -98.496 flat angles P-C4'-P energy: -62.689 tors. eta vs tors. theta energy: -90.449 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: 9, replica: 10 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1125.326206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.326206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.326206 (E_RNA) where: Base-Base interactions energy: -741.519 where: short stacking energy: -339.364 Base-Backbone interact. energy: 3.664 local terms energy: -387.471483 where: bonds (distance) C4'-P energy: -82.733 bonds (distance) P-C4' energy: -99.590 flat angles C4'-P-C4' energy: -84.281 flat angles P-C4'-P energy: -57.483 tors. eta vs tors. theta energy: -63.385 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: 7 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -1099.145389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.145389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.145389 (E_RNA) where: Base-Base interactions energy: -713.187 where: short stacking energy: -324.811 Base-Backbone interact. energy: 0.097 local terms energy: -386.054852 where: bonds (distance) C4'-P energy: -84.052 bonds (distance) P-C4' energy: -93.638 flat angles C4'-P-C4' energy: -95.370 flat angles P-C4'-P energy: -48.145 tors. eta vs tors. theta energy: -64.851 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: 1, replica: 8 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1913.473231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.473231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.473231 (E_RNA) where: Base-Base interactions energy: -1340.157 where: short stacking energy: -548.330 Base-Backbone interact. energy: -1.400 local terms energy: -571.915933 where: bonds (distance) C4'-P energy: -103.892 bonds (distance) P-C4' energy: -111.206 flat angles C4'-P-C4' energy: -120.898 flat angles P-C4'-P energy: -83.682 tors. eta vs tors. theta energy: -152.237 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: 2 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1888.853135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.853135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.853135 (E_RNA) where: Base-Base interactions energy: -1324.101 where: short stacking energy: -533.011 Base-Backbone interact. energy: -1.035 local terms energy: -563.717046 where: bonds (distance) C4'-P energy: -100.183 bonds (distance) P-C4' energy: -113.322 flat angles C4'-P-C4' energy: -111.180 flat angles P-C4'-P energy: -82.854 tors. eta vs tors. theta energy: -156.179 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: 168 Temperature: 1.000000 Total energy: -1856.778025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.778025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.778025 (E_RNA) where: Base-Base interactions energy: -1313.697 where: short stacking energy: -552.986 Base-Backbone interact. energy: 5.194 local terms energy: -548.275558 where: bonds (distance) C4'-P energy: -98.231 bonds (distance) P-C4' energy: -98.301 flat angles C4'-P-C4' energy: -116.936 flat angles P-C4'-P energy: -77.411 tors. eta vs tors. theta energy: -157.397 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: 4 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1766.944388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.944388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.944388 (E_RNA) where: Base-Base interactions energy: -1249.636 where: short stacking energy: -518.907 Base-Backbone interact. energy: -1.096 local terms energy: -516.211845 where: bonds (distance) C4'-P energy: -90.275 bonds (distance) P-C4' energy: -101.435 flat angles C4'-P-C4' energy: -108.398 flat angles P-C4'-P energy: -69.960 tors. eta vs tors. theta energy: -146.143 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: 5, replica: 3 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1673.509404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.509404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.509404 (E_RNA) where: Base-Base interactions energy: -1144.341 where: short stacking energy: -475.632 Base-Backbone interact. energy: 2.297 local terms energy: -531.465253 where: bonds (distance) C4'-P energy: -101.849 bonds (distance) P-C4' energy: -114.534 flat angles C4'-P-C4' energy: -105.208 flat angles P-C4'-P energy: -75.761 tors. eta vs tors. theta energy: -134.112 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: 6, replica: 5 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1577.416075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.416075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.416075 (E_RNA) where: Base-Base interactions energy: -1087.404 where: short stacking energy: -453.143 Base-Backbone interact. energy: 2.198 local terms energy: -492.210464 where: bonds (distance) C4'-P energy: -86.839 bonds (distance) P-C4' energy: -104.880 flat angles C4'-P-C4' energy: -103.824 flat angles P-C4'-P energy: -78.760 tors. eta vs tors. theta energy: -117.907 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: 7, replica: 9 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1413.831251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.831251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.831251 (E_RNA) where: Base-Base interactions energy: -967.211 where: short stacking energy: -396.038 Base-Backbone interact. energy: 2.453 local terms energy: -449.073692 where: bonds (distance) C4'-P energy: -82.286 bonds (distance) P-C4' energy: -104.232 flat angles C4'-P-C4' energy: -98.313 flat angles P-C4'-P energy: -70.289 tors. eta vs tors. theta energy: -93.955 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: 6 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1419.481802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.481802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.481802 (E_RNA) where: Base-Base interactions energy: -957.167 where: short stacking energy: -412.928 Base-Backbone interact. energy: -3.123 local terms energy: -459.192007 where: bonds (distance) C4'-P energy: -84.976 bonds (distance) P-C4' energy: -102.014 flat angles C4'-P-C4' energy: -106.101 flat angles P-C4'-P energy: -65.625 tors. eta vs tors. theta energy: -100.476 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: 7 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -1119.611397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.611397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.611397 (E_RNA) where: Base-Base interactions energy: -720.500 where: short stacking energy: -334.115 Base-Backbone interact. energy: 10.533 local terms energy: -409.643969 where: bonds (distance) C4'-P energy: -95.122 bonds (distance) P-C4' energy: -96.642 flat angles C4'-P-C4' energy: -97.064 flat angles P-C4'-P energy: -53.069 tors. eta vs tors. theta energy: -67.747 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: 10, replica: 10 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -1121.554756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.554756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.554756 (E_RNA) where: Base-Base interactions energy: -703.805 where: short stacking energy: -320.929 Base-Backbone interact. energy: 4.283 local terms energy: -422.032350 where: bonds (distance) C4'-P energy: -95.828 bonds (distance) P-C4' energy: -101.754 flat angles C4'-P-C4' energy: -104.719 flat angles P-C4'-P energy: -54.067 tors. eta vs tors. theta energy: -65.664 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: 1, replica: 8 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1907.034818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.034818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.034818 (E_RNA) where: Base-Base interactions energy: -1346.663 where: short stacking energy: -560.226 Base-Backbone interact. energy: -1.765 local terms energy: -558.606603 where: bonds (distance) C4'-P energy: -92.539 bonds (distance) P-C4' energy: -105.958 flat angles C4'-P-C4' energy: -116.890 flat angles P-C4'-P energy: -90.930 tors. eta vs tors. theta energy: -152.291 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: 2 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1884.052595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.052595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.052595 (E_RNA) where: Base-Base interactions energy: -1307.296 where: short stacking energy: -533.496 Base-Backbone interact. energy: -2.810 local terms energy: -573.946699 where: bonds (distance) C4'-P energy: -107.817 bonds (distance) P-C4' energy: -112.490 flat angles C4'-P-C4' energy: -119.277 flat angles P-C4'-P energy: -75.470 tors. eta vs tors. theta energy: -158.893 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: 3, replica: 1 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1847.951206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.951206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.951206 (E_RNA) where: Base-Base interactions energy: -1293.963 where: short stacking energy: -536.849 Base-Backbone interact. energy: 1.179 local terms energy: -555.166754 where: bonds (distance) C4'-P energy: -94.687 bonds (distance) P-C4' energy: -109.742 flat angles C4'-P-C4' energy: -118.155 flat angles P-C4'-P energy: -79.876 tors. eta vs tors. theta energy: -152.707 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: 4 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1779.497750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.497750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.497750 (E_RNA) where: Base-Base interactions energy: -1255.107 where: short stacking energy: -515.653 Base-Backbone interact. energy: 0.405 local terms energy: -524.795896 where: bonds (distance) C4'-P energy: -79.584 bonds (distance) P-C4' energy: -118.150 flat angles C4'-P-C4' energy: -110.830 flat angles P-C4'-P energy: -74.518 tors. eta vs tors. theta energy: -141.714 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: 5, replica: 3 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1707.752393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.752393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.752393 (E_RNA) where: Base-Base interactions energy: -1188.295 where: short stacking energy: -518.105 Base-Backbone interact. energy: 0.585 local terms energy: -520.042319 where: bonds (distance) C4'-P energy: -98.971 bonds (distance) P-C4' energy: -97.370 flat angles C4'-P-C4' energy: -109.215 flat angles P-C4'-P energy: -67.815 tors. eta vs tors. theta energy: -146.671 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: 6, replica: 5 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1608.414071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.414071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.414071 (E_RNA) where: Base-Base interactions energy: -1116.689 where: short stacking energy: -460.803 Base-Backbone interact. energy: -0.260 local terms energy: -491.464972 where: bonds (distance) C4'-P energy: -88.002 bonds (distance) P-C4' energy: -110.364 flat angles C4'-P-C4' energy: -106.590 flat angles P-C4'-P energy: -70.919 tors. eta vs tors. theta energy: -115.590 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: 7, replica: 9 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1461.603881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.603881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.603881 (E_RNA) where: Base-Base interactions energy: -1011.196 where: short stacking energy: -409.301 Base-Backbone interact. energy: 2.755 local terms energy: -453.162386 where: bonds (distance) C4'-P energy: -91.507 bonds (distance) P-C4' energy: -101.502 flat angles C4'-P-C4' energy: -91.119 flat angles P-C4'-P energy: -65.646 tors. eta vs tors. theta energy: -103.389 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: 8, replica: 6 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1333.253112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.253112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.253112 (E_RNA) where: Base-Base interactions energy: -910.831 where: short stacking energy: -384.062 Base-Backbone interact. energy: -1.541 local terms energy: -420.881194 where: bonds (distance) C4'-P energy: -87.815 bonds (distance) P-C4' energy: -95.951 flat angles C4'-P-C4' energy: -92.342 flat angles P-C4'-P energy: -61.123 tors. eta vs tors. theta energy: -83.650 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: 9, replica: 7 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1137.427958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.427958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.427958 (E_RNA) where: Base-Base interactions energy: -722.547 where: short stacking energy: -331.479 Base-Backbone interact. energy: -1.152 local terms energy: -413.729223 where: bonds (distance) C4'-P energy: -85.806 bonds (distance) P-C4' energy: -107.045 flat angles C4'-P-C4' energy: -89.538 flat angles P-C4'-P energy: -58.136 tors. eta vs tors. theta energy: -73.204 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: 10, replica: 10 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -1113.396404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.396404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.396404 (E_RNA) where: Base-Base interactions energy: -730.303 where: short stacking energy: -316.309 Base-Backbone interact. energy: 0.266 local terms energy: -383.359215 where: bonds (distance) C4'-P energy: -82.274 bonds (distance) P-C4' energy: -107.334 flat angles C4'-P-C4' energy: -93.281 flat angles P-C4'-P energy: -47.376 tors. eta vs tors. theta energy: -53.094 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: 8 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1908.054001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.054001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.054001 (E_RNA) where: Base-Base interactions energy: -1343.995 where: short stacking energy: -548.903 Base-Backbone interact. energy: -1.008 local terms energy: -563.050414 where: bonds (distance) C4'-P energy: -106.862 bonds (distance) P-C4' energy: -112.292 flat angles C4'-P-C4' energy: -106.903 flat angles P-C4'-P energy: -89.722 tors. eta vs tors. theta energy: -147.272 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: 2, replica: 2 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1888.291736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.291736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.291736 (E_RNA) where: Base-Base interactions energy: -1317.120 where: short stacking energy: -553.976 Base-Backbone interact. energy: -2.946 local terms energy: -568.226652 where: bonds (distance) C4'-P energy: -99.247 bonds (distance) P-C4' energy: -104.207 flat angles C4'-P-C4' energy: -123.747 flat angles P-C4'-P energy: -82.054 tors. eta vs tors. theta energy: -158.970 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: 3, replica: 1 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1832.362750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.362750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.362750 (E_RNA) where: Base-Base interactions energy: -1294.355 where: short stacking energy: -533.726 Base-Backbone interact. energy: 7.567 local terms energy: -545.574504 where: bonds (distance) C4'-P energy: -92.423 bonds (distance) P-C4' energy: -109.963 flat angles C4'-P-C4' energy: -118.194 flat angles P-C4'-P energy: -72.023 tors. eta vs tors. theta energy: -152.972 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: 4, replica: 4 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1777.124518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.124518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.124518 (E_RNA) where: Base-Base interactions energy: -1246.853 where: short stacking energy: -511.916 Base-Backbone interact. energy: 2.275 local terms energy: -532.546558 where: bonds (distance) C4'-P energy: -86.893 bonds (distance) P-C4' energy: -106.380 flat angles C4'-P-C4' energy: -113.935 flat angles P-C4'-P energy: -75.630 tors. eta vs tors. theta energy: -149.707 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: 3 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1700.766348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.766348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.766348 (E_RNA) where: Base-Base interactions energy: -1182.400 where: short stacking energy: -500.518 Base-Backbone interact. energy: -0.731 local terms energy: -517.635267 where: bonds (distance) C4'-P energy: -87.842 bonds (distance) P-C4' energy: -102.201 flat angles C4'-P-C4' energy: -117.720 flat angles P-C4'-P energy: -67.220 tors. eta vs tors. theta energy: -142.652 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: 6, replica: 5 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1596.133592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.133592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.133592 (E_RNA) where: Base-Base interactions energy: -1089.220 where: short stacking energy: -446.411 Base-Backbone interact. energy: 1.553 local terms energy: -508.467119 where: bonds (distance) C4'-P energy: -94.391 bonds (distance) P-C4' energy: -114.638 flat angles C4'-P-C4' energy: -101.355 flat angles P-C4'-P energy: -74.347 tors. eta vs tors. theta energy: -123.736 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: 9 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1466.514521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.514521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.514521 (E_RNA) where: Base-Base interactions energy: -1010.110 where: short stacking energy: -425.441 Base-Backbone interact. energy: -0.220 local terms energy: -456.184410 where: bonds (distance) C4'-P energy: -87.703 bonds (distance) P-C4' energy: -109.211 flat angles C4'-P-C4' energy: -81.806 flat angles P-C4'-P energy: -70.131 tors. eta vs tors. theta energy: -107.333 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: 8, replica: 6 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1367.119553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.119553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.119553 (E_RNA) where: Base-Base interactions energy: -921.034 where: short stacking energy: -423.264 Base-Backbone interact. energy: 0.081 local terms energy: -446.166174 where: bonds (distance) C4'-P energy: -82.657 bonds (distance) P-C4' energy: -95.946 flat angles C4'-P-C4' energy: -98.445 flat angles P-C4'-P energy: -63.271 tors. eta vs tors. theta energy: -105.847 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: 9, replica: 10 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1157.056003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.056003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.056003 (E_RNA) where: Base-Base interactions energy: -740.500 where: short stacking energy: -339.404 Base-Backbone interact. energy: 4.079 local terms energy: -420.635116 where: bonds (distance) C4'-P energy: -89.995 bonds (distance) P-C4' energy: -100.444 flat angles C4'-P-C4' energy: -98.696 flat angles P-C4'-P energy: -55.447 tors. eta vs tors. theta energy: -76.054 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: 10, replica: 7 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -1149.541595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.541595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.541595 (E_RNA) where: Base-Base interactions energy: -741.967 where: short stacking energy: -331.387 Base-Backbone interact. energy: -2.403 local terms energy: -405.171306 where: bonds (distance) C4'-P energy: -84.599 bonds (distance) P-C4' energy: -97.566 flat angles C4'-P-C4' energy: -82.318 flat angles P-C4'-P energy: -61.736 tors. eta vs tors. theta energy: -78.952 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: 1, replica: 8 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1909.707938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.707938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.707938 (E_RNA) where: Base-Base interactions energy: -1342.283 where: short stacking energy: -550.583 Base-Backbone interact. energy: -0.721 local terms energy: -566.703988 where: bonds (distance) C4'-P energy: -102.005 bonds (distance) P-C4' energy: -104.275 flat angles C4'-P-C4' energy: -112.684 flat angles P-C4'-P energy: -87.778 tors. eta vs tors. theta energy: -159.962 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: 2, replica: 2 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1892.064981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.064981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.064981 (E_RNA) where: Base-Base interactions energy: -1334.994 where: short stacking energy: -535.050 Base-Backbone interact. energy: -0.069 local terms energy: -557.001649 where: bonds (distance) C4'-P energy: -97.596 bonds (distance) P-C4' energy: -108.689 flat angles C4'-P-C4' energy: -115.076 flat angles P-C4'-P energy: -77.586 tors. eta vs tors. theta energy: -158.054 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: 1 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1826.696257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.696257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.696257 (E_RNA) where: Base-Base interactions energy: -1277.840 where: short stacking energy: -534.484 Base-Backbone interact. energy: 0.408 local terms energy: -549.263757 where: bonds (distance) C4'-P energy: -104.234 bonds (distance) P-C4' energy: -99.090 flat angles C4'-P-C4' energy: -115.929 flat angles P-C4'-P energy: -79.102 tors. eta vs tors. theta energy: -150.909 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: 4, replica: 4 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1783.253774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.253774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.253774 (E_RNA) where: Base-Base interactions energy: -1222.671 where: short stacking energy: -509.127 Base-Backbone interact. energy: -1.379 local terms energy: -559.204419 where: bonds (distance) C4'-P energy: -96.118 bonds (distance) P-C4' energy: -116.239 flat angles C4'-P-C4' energy: -112.846 flat angles P-C4'-P energy: -88.545 tors. eta vs tors. theta energy: -145.458 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: 3 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1691.664507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.664507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.664507 (E_RNA) where: Base-Base interactions energy: -1167.179 where: short stacking energy: -483.005 Base-Backbone interact. energy: -1.662 local terms energy: -522.823963 where: bonds (distance) C4'-P energy: -81.995 bonds (distance) P-C4' energy: -103.225 flat angles C4'-P-C4' energy: -122.284 flat angles P-C4'-P energy: -76.355 tors. eta vs tors. theta energy: -138.965 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: 5 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1624.956423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.956423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.956423 (E_RNA) where: Base-Base interactions energy: -1110.239 where: short stacking energy: -456.928 Base-Backbone interact. energy: 0.100 local terms energy: -514.817392 where: bonds (distance) C4'-P energy: -98.446 bonds (distance) P-C4' energy: -109.481 flat angles C4'-P-C4' energy: -110.938 flat angles P-C4'-P energy: -74.577 tors. eta vs tors. theta energy: -121.375 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: 7, replica: 9 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1528.758898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.758898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.758898 (E_RNA) where: Base-Base interactions energy: -1063.674 where: short stacking energy: -452.200 Base-Backbone interact. energy: -0.646 local terms energy: -464.438529 where: bonds (distance) C4'-P energy: -86.567 bonds (distance) P-C4' energy: -100.373 flat angles C4'-P-C4' energy: -102.160 flat angles P-C4'-P energy: -58.237 tors. eta vs tors. theta energy: -117.101 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: 8, replica: 6 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1359.168711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.168711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.168711 (E_RNA) where: Base-Base interactions energy: -919.519 where: short stacking energy: -386.925 Base-Backbone interact. energy: 3.165 local terms energy: -442.814408 where: bonds (distance) C4'-P energy: -88.200 bonds (distance) P-C4' energy: -99.837 flat angles C4'-P-C4' energy: -96.749 flat angles P-C4'-P energy: -61.402 tors. eta vs tors. theta energy: -96.626 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: 9, replica: 10 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1152.376331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.376331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.376331 (E_RNA) where: Base-Base interactions energy: -745.975 where: short stacking energy: -330.180 Base-Backbone interact. energy: -1.053 local terms energy: -405.348581 where: bonds (distance) C4'-P energy: -95.544 bonds (distance) P-C4' energy: -89.259 flat angles C4'-P-C4' energy: -93.775 flat angles P-C4'-P energy: -60.779 tors. eta vs tors. theta energy: -65.992 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: 7 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -1134.526590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.526590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.526590 (E_RNA) where: Base-Base interactions energy: -743.948 where: short stacking energy: -343.850 Base-Backbone interact. energy: -2.852 local terms energy: -387.726122 where: bonds (distance) C4'-P energy: -85.894 bonds (distance) P-C4' energy: -98.645 flat angles C4'-P-C4' energy: -84.150 flat angles P-C4'-P energy: -53.770 tors. eta vs tors. theta energy: -65.266 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: 8 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1901.809898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.809898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.809898 (E_RNA) where: Base-Base interactions energy: -1321.462 where: short stacking energy: -540.535 Base-Backbone interact. energy: -3.840 local terms energy: -576.507351 where: bonds (distance) C4'-P energy: -107.143 bonds (distance) P-C4' energy: -113.328 flat angles C4'-P-C4' energy: -121.956 flat angles P-C4'-P energy: -79.952 tors. eta vs tors. theta energy: -154.128 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: 2 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1889.968547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.968547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.968547 (E_RNA) where: Base-Base interactions energy: -1337.069 where: short stacking energy: -547.417 Base-Backbone interact. energy: 6.168 local terms energy: -559.067549 where: bonds (distance) C4'-P energy: -97.172 bonds (distance) P-C4' energy: -108.355 flat angles C4'-P-C4' energy: -111.923 flat angles P-C4'-P energy: -82.749 tors. eta vs tors. theta energy: -158.868 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: 1 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1831.719422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.719422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.719422 (E_RNA) where: Base-Base interactions energy: -1289.379 where: short stacking energy: -532.397 Base-Backbone interact. energy: 1.680 local terms energy: -544.020516 where: bonds (distance) C4'-P energy: -94.078 bonds (distance) P-C4' energy: -114.782 flat angles C4'-P-C4' energy: -105.469 flat angles P-C4'-P energy: -81.202 tors. eta vs tors. theta energy: -148.489 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: 4 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1773.281318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.281318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.281318 (E_RNA) where: Base-Base interactions energy: -1247.169 where: short stacking energy: -520.943 Base-Backbone interact. energy: 3.732 local terms energy: -529.844509 where: bonds (distance) C4'-P energy: -85.582 bonds (distance) P-C4' energy: -107.042 flat angles C4'-P-C4' energy: -103.603 flat angles P-C4'-P energy: -80.329 tors. eta vs tors. theta energy: -153.289 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: 5, replica: 3 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1725.252515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.252515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.252515 (E_RNA) where: Base-Base interactions energy: -1200.109 where: short stacking energy: -499.199 Base-Backbone interact. energy: -1.711 local terms energy: -523.432366 where: bonds (distance) C4'-P energy: -90.903 bonds (distance) P-C4' energy: -97.145 flat angles C4'-P-C4' energy: -111.335 flat angles P-C4'-P energy: -80.490 tors. eta vs tors. theta energy: -143.559 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: 5 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1603.231463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.231463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.231463 (E_RNA) where: Base-Base interactions energy: -1123.703 where: short stacking energy: -482.518 Base-Backbone interact. energy: 1.115 local terms energy: -480.643135 where: bonds (distance) C4'-P energy: -84.954 bonds (distance) P-C4' energy: -94.940 flat angles C4'-P-C4' energy: -101.676 flat angles P-C4'-P energy: -72.802 tors. eta vs tors. theta energy: -126.271 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: 9 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1452.093119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.093119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.093119 (E_RNA) where: Base-Base interactions energy: -1000.041 where: short stacking energy: -431.189 Base-Backbone interact. energy: -0.304 local terms energy: -451.748220 where: bonds (distance) C4'-P energy: -89.610 bonds (distance) P-C4' energy: -103.131 flat angles C4'-P-C4' energy: -102.917 flat angles P-C4'-P energy: -58.061 tors. eta vs tors. theta energy: -98.031 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: 172 Temperature: 1.250000 Total energy: -1335.534440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.534440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.534440 (E_RNA) where: Base-Base interactions energy: -894.668 where: short stacking energy: -386.643 Base-Backbone interact. energy: 0.344 local terms energy: -441.209563 where: bonds (distance) C4'-P energy: -81.590 bonds (distance) P-C4' energy: -98.577 flat angles C4'-P-C4' energy: -95.427 flat angles P-C4'-P energy: -69.399 tors. eta vs tors. theta energy: -96.218 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: 9, replica: 10 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1129.354022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.354022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.354022 (E_RNA) where: Base-Base interactions energy: -723.308 where: short stacking energy: -335.100 Base-Backbone interact. energy: -0.655 local terms energy: -405.391566 where: bonds (distance) C4'-P energy: -81.824 bonds (distance) P-C4' energy: -105.626 flat angles C4'-P-C4' energy: -92.379 flat angles P-C4'-P energy: -55.396 tors. eta vs tors. theta energy: -70.166 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: 10, replica: 7 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -1108.243406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.243406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.243406 (E_RNA) where: Base-Base interactions energy: -730.614 where: short stacking energy: -315.109 Base-Backbone interact. energy: -1.091 local terms energy: -376.537936 where: bonds (distance) C4'-P energy: -80.528 bonds (distance) P-C4' energy: -103.169 flat angles C4'-P-C4' energy: -81.498 flat angles P-C4'-P energy: -55.041 tors. eta vs tors. theta energy: -56.302 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: 8 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1911.793282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.793282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.793282 (E_RNA) where: Base-Base interactions energy: -1347.829 where: short stacking energy: -544.044 Base-Backbone interact. energy: 3.447 local terms energy: -567.411337 where: bonds (distance) C4'-P energy: -103.551 bonds (distance) P-C4' energy: -112.552 flat angles C4'-P-C4' energy: -115.381 flat angles P-C4'-P energy: -79.180 tors. eta vs tors. theta energy: -156.748 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: 2, replica: 2 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1910.158824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.158824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.158824 (E_RNA) where: Base-Base interactions energy: -1339.493 where: short stacking energy: -561.423 Base-Backbone interact. energy: -2.270 local terms energy: -568.395764 where: bonds (distance) C4'-P energy: -88.657 bonds (distance) P-C4' energy: -107.464 flat angles C4'-P-C4' energy: -119.945 flat angles P-C4'-P energy: -86.624 tors. eta vs tors. theta energy: -165.705 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: 1 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1823.800947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.800947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.800947 (E_RNA) where: Base-Base interactions energy: -1285.629 where: short stacking energy: -536.307 Base-Backbone interact. energy: -2.129 local terms energy: -536.042768 where: bonds (distance) C4'-P energy: -91.232 bonds (distance) P-C4' energy: -113.612 flat angles C4'-P-C4' energy: -107.463 flat angles P-C4'-P energy: -68.110 tors. eta vs tors. theta energy: -155.626 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: 4 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1804.522435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.522435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.522435 (E_RNA) where: Base-Base interactions energy: -1255.194 where: short stacking energy: -530.101 Base-Backbone interact. energy: -1.371 local terms energy: -547.956628 where: bonds (distance) C4'-P energy: -100.653 bonds (distance) P-C4' energy: -104.219 flat angles C4'-P-C4' energy: -112.972 flat angles P-C4'-P energy: -74.640 tors. eta vs tors. theta energy: -155.472 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: 3 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1748.073436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.073436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.073436 (E_RNA) where: Base-Base interactions energy: -1204.791 where: short stacking energy: -498.999 Base-Backbone interact. energy: -2.754 local terms energy: -540.527949 where: bonds (distance) C4'-P energy: -104.079 bonds (distance) P-C4' energy: -104.003 flat angles C4'-P-C4' energy: -119.648 flat angles P-C4'-P energy: -64.295 tors. eta vs tors. theta energy: -148.502 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: 6, replica: 5 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1617.680073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.680073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.680073 (E_RNA) where: Base-Base interactions energy: -1103.449 where: short stacking energy: -472.139 Base-Backbone interact. energy: 0.200 local terms energy: -514.430176 where: bonds (distance) C4'-P energy: -96.976 bonds (distance) P-C4' energy: -108.896 flat angles C4'-P-C4' energy: -106.245 flat angles P-C4'-P energy: -72.505 tors. eta vs tors. theta energy: -129.808 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: 7, replica: 9 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1452.777968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.777968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.777968 (E_RNA) where: Base-Base interactions energy: -989.182 where: short stacking energy: -404.420 Base-Backbone interact. energy: 0.394 local terms energy: -463.989821 where: bonds (distance) C4'-P energy: -84.457 bonds (distance) P-C4' energy: -104.774 flat angles C4'-P-C4' energy: -104.516 flat angles P-C4'-P energy: -72.518 tors. eta vs tors. theta energy: -97.725 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: 6 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1329.510309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.510309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.510309 (E_RNA) where: Base-Base interactions energy: -899.040 where: short stacking energy: -388.732 Base-Backbone interact. energy: 0.392 local terms energy: -430.862343 where: bonds (distance) C4'-P energy: -91.462 bonds (distance) P-C4' energy: -104.995 flat angles C4'-P-C4' energy: -94.326 flat angles P-C4'-P energy: -55.718 tors. eta vs tors. theta energy: -84.361 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: 10 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1184.193244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.193244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.193244 (E_RNA) where: Base-Base interactions energy: -787.843 where: short stacking energy: -352.327 Base-Backbone interact. energy: -1.291 local terms energy: -395.059715 where: bonds (distance) C4'-P energy: -79.432 bonds (distance) P-C4' energy: -96.260 flat angles C4'-P-C4' energy: -92.608 flat angles P-C4'-P energy: -65.456 tors. eta vs tors. theta energy: -61.303 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: 7 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -1127.764019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.764019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.764019 (E_RNA) where: Base-Base interactions energy: -749.290 where: short stacking energy: -330.565 Base-Backbone interact. energy: -2.226 local terms energy: -376.248389 where: bonds (distance) C4'-P energy: -81.799 bonds (distance) P-C4' energy: -96.967 flat angles C4'-P-C4' energy: -85.603 flat angles P-C4'-P energy: -54.577 tors. eta vs tors. theta energy: -57.303 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: 8 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1915.303530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.303530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.303530 (E_RNA) where: Base-Base interactions energy: -1356.325 where: short stacking energy: -542.508 Base-Backbone interact. energy: -2.404 local terms energy: -556.574169 where: bonds (distance) C4'-P energy: -106.048 bonds (distance) P-C4' energy: -108.843 flat angles C4'-P-C4' energy: -113.726 flat angles P-C4'-P energy: -75.782 tors. eta vs tors. theta energy: -152.176 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: 2, replica: 2 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1902.901532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.901532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.901532 (E_RNA) where: Base-Base interactions energy: -1325.766 where: short stacking energy: -545.889 Base-Backbone interact. energy: -0.791 local terms energy: -576.344173 where: bonds (distance) C4'-P energy: -111.456 bonds (distance) P-C4' energy: -109.889 flat angles C4'-P-C4' energy: -118.798 flat angles P-C4'-P energy: -78.874 tors. eta vs tors. theta energy: -157.328 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: 1 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1795.932894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.932894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.932894 (E_RNA) where: Base-Base interactions energy: -1244.375 where: short stacking energy: -517.329 Base-Backbone interact. energy: 8.964 local terms energy: -560.521973 where: bonds (distance) C4'-P energy: -100.388 bonds (distance) P-C4' energy: -114.112 flat angles C4'-P-C4' energy: -116.378 flat angles P-C4'-P energy: -79.860 tors. eta vs tors. theta energy: -149.784 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: 4, replica: 4 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1809.727685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.727685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.727685 (E_RNA) where: Base-Base interactions energy: -1260.227 where: short stacking energy: -512.172 Base-Backbone interact. energy: 0.462 local terms energy: -549.962767 where: bonds (distance) C4'-P energy: -98.447 bonds (distance) P-C4' energy: -110.828 flat angles C4'-P-C4' energy: -111.602 flat angles P-C4'-P energy: -82.227 tors. eta vs tors. theta energy: -146.858 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: 3 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1746.837490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.837490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.837490 (E_RNA) where: Base-Base interactions energy: -1206.180 where: short stacking energy: -477.214 Base-Backbone interact. energy: 1.750 local terms energy: -542.407435 where: bonds (distance) C4'-P energy: -87.514 bonds (distance) P-C4' energy: -120.019 flat angles C4'-P-C4' energy: -113.191 flat angles P-C4'-P energy: -73.488 tors. eta vs tors. theta energy: -148.195 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: 5 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1595.708695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.708695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.708695 (E_RNA) where: Base-Base interactions energy: -1127.438 where: short stacking energy: -442.617 Base-Backbone interact. energy: -0.075 local terms energy: -468.195723 where: bonds (distance) C4'-P energy: -83.584 bonds (distance) P-C4' energy: -103.386 flat angles C4'-P-C4' energy: -95.820 flat angles P-C4'-P energy: -68.785 tors. eta vs tors. theta energy: -116.620 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: 174 Temperature: 1.200000 Total energy: -1413.658335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.658335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.658335 (E_RNA) where: Base-Base interactions energy: -969.297 where: short stacking energy: -412.186 Base-Backbone interact. energy: -1.406 local terms energy: -442.954959 where: bonds (distance) C4'-P energy: -78.671 bonds (distance) P-C4' energy: -93.799 flat angles C4'-P-C4' energy: -107.482 flat angles P-C4'-P energy: -55.795 tors. eta vs tors. theta energy: -107.209 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: 8, replica: 9 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1393.459137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.459137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.459137 (E_RNA) where: Base-Base interactions energy: -954.721 where: short stacking energy: -411.475 Base-Backbone interact. energy: 2.830 local terms energy: -441.568206 where: bonds (distance) C4'-P energy: -94.432 bonds (distance) P-C4' energy: -99.075 flat angles C4'-P-C4' energy: -93.865 flat angles P-C4'-P energy: -53.830 tors. eta vs tors. theta energy: -100.367 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: 7 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1170.576124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.576124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.576124 (E_RNA) where: Base-Base interactions energy: -748.476 where: short stacking energy: -338.340 Base-Backbone interact. energy: 2.727 local terms energy: -424.827913 where: bonds (distance) C4'-P energy: -85.488 bonds (distance) P-C4' energy: -110.017 flat angles C4'-P-C4' energy: -102.117 flat angles P-C4'-P energy: -60.804 tors. eta vs tors. theta energy: -66.403 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: 10 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -1124.541249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.541249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.541249 (E_RNA) where: Base-Base interactions energy: -726.627 where: short stacking energy: -325.053 Base-Backbone interact. energy: 4.134 local terms energy: -402.047966 where: bonds (distance) C4'-P energy: -88.773 bonds (distance) P-C4' energy: -105.782 flat angles C4'-P-C4' energy: -88.275 flat angles P-C4'-P energy: -58.727 tors. eta vs tors. theta energy: -60.490 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: 8 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1911.368115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.368115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.368115 (E_RNA) where: Base-Base interactions energy: -1336.581 where: short stacking energy: -549.857 Base-Backbone interact. energy: -0.172 local terms energy: -574.614904 where: bonds (distance) C4'-P energy: -100.692 bonds (distance) P-C4' energy: -109.380 flat angles C4'-P-C4' energy: -123.017 flat angles P-C4'-P energy: -86.332 tors. eta vs tors. theta energy: -155.194 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: 2, replica: 2 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1896.125047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.125047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.125047 (E_RNA) where: Base-Base interactions energy: -1348.053 where: short stacking energy: -566.120 Base-Backbone interact. energy: 0.356 local terms energy: -548.428358 where: bonds (distance) C4'-P energy: -94.291 bonds (distance) P-C4' energy: -101.218 flat angles C4'-P-C4' energy: -115.950 flat angles P-C4'-P energy: -77.157 tors. eta vs tors. theta energy: -159.813 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: 3, replica: 1 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1822.383525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.383525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.383525 (E_RNA) where: Base-Base interactions energy: -1250.122 where: short stacking energy: -527.444 Base-Backbone interact. energy: 0.373 local terms energy: -572.634582 where: bonds (distance) C4'-P energy: -107.382 bonds (distance) P-C4' energy: -118.654 flat angles C4'-P-C4' energy: -113.477 flat angles P-C4'-P energy: -88.032 tors. eta vs tors. theta energy: -145.089 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: 4, replica: 4 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1817.733450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.733450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.733450 (E_RNA) where: Base-Base interactions energy: -1283.882 where: short stacking energy: -519.942 Base-Backbone interact. energy: -0.644 local terms energy: -533.207220 where: bonds (distance) C4'-P energy: -94.109 bonds (distance) P-C4' energy: -107.143 flat angles C4'-P-C4' energy: -121.853 flat angles P-C4'-P energy: -67.405 tors. eta vs tors. theta energy: -142.698 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: 3 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1746.767795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.767795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.767795 (E_RNA) where: Base-Base interactions energy: -1210.013 where: short stacking energy: -502.177 Base-Backbone interact. energy: 1.268 local terms energy: -538.022565 where: bonds (distance) C4'-P energy: -89.673 bonds (distance) P-C4' energy: -113.058 flat angles C4'-P-C4' energy: -113.408 flat angles P-C4'-P energy: -72.401 tors. eta vs tors. theta energy: -149.482 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: 5 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1599.177158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.177158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.177158 (E_RNA) where: Base-Base interactions energy: -1113.704 where: short stacking energy: -460.406 Base-Backbone interact. energy: -1.119 local terms energy: -484.353437 where: bonds (distance) C4'-P energy: -89.630 bonds (distance) P-C4' energy: -100.990 flat angles C4'-P-C4' energy: -104.764 flat angles P-C4'-P energy: -73.888 tors. eta vs tors. theta energy: -115.081 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: 7, replica: 6 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1420.639570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.639570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.639570 (E_RNA) where: Base-Base interactions energy: -952.814 where: short stacking energy: -415.702 Base-Backbone interact. energy: -0.894 local terms energy: -466.931655 where: bonds (distance) C4'-P energy: -73.875 bonds (distance) P-C4' energy: -116.079 flat angles C4'-P-C4' energy: -104.597 flat angles P-C4'-P energy: -62.569 tors. eta vs tors. theta energy: -109.812 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: 9 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1409.427081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.427081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.427081 (E_RNA) where: Base-Base interactions energy: -955.997 where: short stacking energy: -421.020 Base-Backbone interact. energy: 1.521 local terms energy: -454.950352 where: bonds (distance) C4'-P energy: -82.853 bonds (distance) P-C4' energy: -100.728 flat angles C4'-P-C4' energy: -96.416 flat angles P-C4'-P energy: -68.703 tors. eta vs tors. theta energy: -106.250 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: 7 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1182.381573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.381573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.381573 (E_RNA) where: Base-Base interactions energy: -782.037 where: short stacking energy: -360.851 Base-Backbone interact. energy: 4.191 local terms energy: -404.535378 where: bonds (distance) C4'-P energy: -85.011 bonds (distance) P-C4' energy: -101.737 flat angles C4'-P-C4' energy: -90.358 flat angles P-C4'-P energy: -58.662 tors. eta vs tors. theta energy: -68.768 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: 10 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -1135.485637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.485637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.485637 (E_RNA) where: Base-Base interactions energy: -740.513 where: short stacking energy: -339.096 Base-Backbone interact. energy: 1.710 local terms energy: -396.683206 where: bonds (distance) C4'-P energy: -76.675 bonds (distance) P-C4' energy: -86.262 flat angles C4'-P-C4' energy: -98.062 flat angles P-C4'-P energy: -61.636 tors. eta vs tors. theta energy: -74.048 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: 1, replica: 2 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1922.096998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.096998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.096998 (E_RNA) where: Base-Base interactions energy: -1349.276 where: short stacking energy: -556.377 Base-Backbone interact. energy: 1.810 local terms energy: -574.630979 where: bonds (distance) C4'-P energy: -102.528 bonds (distance) P-C4' energy: -108.316 flat angles C4'-P-C4' energy: -120.758 flat angles P-C4'-P energy: -83.401 tors. eta vs tors. theta energy: -159.629 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: 8 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1854.330180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.330180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.330180 (E_RNA) where: Base-Base interactions energy: -1294.521 where: short stacking energy: -546.846 Base-Backbone interact. energy: -0.826 local terms energy: -558.983464 where: bonds (distance) C4'-P energy: -93.304 bonds (distance) P-C4' energy: -114.255 flat angles C4'-P-C4' energy: -122.443 flat angles P-C4'-P energy: -80.154 tors. eta vs tors. theta energy: -148.829 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: 3, replica: 1 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1813.332402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.332402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.332402 (E_RNA) where: Base-Base interactions energy: -1244.849 where: short stacking energy: -534.561 Base-Backbone interact. energy: 0.777 local terms energy: -569.261298 where: bonds (distance) C4'-P energy: -94.062 bonds (distance) P-C4' energy: -116.088 flat angles C4'-P-C4' energy: -115.156 flat angles P-C4'-P energy: -85.939 tors. eta vs tors. theta energy: -158.016 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: 4, replica: 4 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1787.015844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.015844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.015844 (E_RNA) where: Base-Base interactions energy: -1252.155 where: short stacking energy: -519.706 Base-Backbone interact. energy: -3.940 local terms energy: -530.920296 where: bonds (distance) C4'-P energy: -83.669 bonds (distance) P-C4' energy: -107.221 flat angles C4'-P-C4' energy: -116.281 flat angles P-C4'-P energy: -72.157 tors. eta vs tors. theta energy: -151.592 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: 5, replica: 3 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1724.026326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.026326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.026326 (E_RNA) where: Base-Base interactions energy: -1180.267 where: short stacking energy: -476.175 Base-Backbone interact. energy: -2.936 local terms energy: -540.823309 where: bonds (distance) C4'-P energy: -87.075 bonds (distance) P-C4' energy: -112.127 flat angles C4'-P-C4' energy: -117.962 flat angles P-C4'-P energy: -82.808 tors. eta vs tors. theta energy: -140.851 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: 5 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1574.433750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.433750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.433750 (E_RNA) where: Base-Base interactions energy: -1087.837 where: short stacking energy: -450.053 Base-Backbone interact. energy: 0.140 local terms energy: -486.737395 where: bonds (distance) C4'-P energy: -98.231 bonds (distance) P-C4' energy: -104.505 flat angles C4'-P-C4' energy: -100.049 flat angles P-C4'-P energy: -65.020 tors. eta vs tors. theta energy: -118.933 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: 7, replica: 9 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1397.399006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.399006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.399006 (E_RNA) where: Base-Base interactions energy: -934.169 where: short stacking energy: -416.257 Base-Backbone interact. energy: 0.254 local terms energy: -463.484404 where: bonds (distance) C4'-P energy: -89.726 bonds (distance) P-C4' energy: -100.058 flat angles C4'-P-C4' energy: -107.704 flat angles P-C4'-P energy: -68.023 tors. eta vs tors. theta energy: -97.973 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: 8, replica: 6 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1364.678718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.678718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.678718 (E_RNA) where: Base-Base interactions energy: -937.303 where: short stacking energy: -390.275 Base-Backbone interact. energy: 0.913 local terms energy: -428.289225 where: bonds (distance) C4'-P energy: -78.440 bonds (distance) P-C4' energy: -90.443 flat angles C4'-P-C4' energy: -108.557 flat angles P-C4'-P energy: -58.874 tors. eta vs tors. theta energy: -91.975 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: 10 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1173.373494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.373494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.373494 (E_RNA) where: Base-Base interactions energy: -769.559 where: short stacking energy: -337.914 Base-Backbone interact. energy: 2.213 local terms energy: -406.028064 where: bonds (distance) C4'-P energy: -79.704 bonds (distance) P-C4' energy: -90.950 flat angles C4'-P-C4' energy: -90.918 flat angles P-C4'-P energy: -63.848 tors. eta vs tors. theta energy: -80.607 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: 7 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -1169.458507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.458507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.458507 (E_RNA) where: Base-Base interactions energy: -767.786 where: short stacking energy: -315.887 Base-Backbone interact. energy: 0.836 local terms energy: -402.508372 where: bonds (distance) C4'-P energy: -81.491 bonds (distance) P-C4' energy: -103.404 flat angles C4'-P-C4' energy: -86.965 flat angles P-C4'-P energy: -66.730 tors. eta vs tors. theta energy: -63.918 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: 1, replica: 2 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1928.612362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.612362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.612362 (E_RNA) where: Base-Base interactions energy: -1352.323 where: short stacking energy: -558.619 Base-Backbone interact. energy: -2.675 local terms energy: -573.614495 where: bonds (distance) C4'-P energy: -106.479 bonds (distance) P-C4' energy: -104.698 flat angles C4'-P-C4' energy: -119.556 flat angles P-C4'-P energy: -85.129 tors. eta vs tors. theta energy: -157.751 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: 8 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1873.750898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.750898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.750898 (E_RNA) where: Base-Base interactions energy: -1310.241 where: short stacking energy: -563.576 Base-Backbone interact. energy: -0.992 local terms energy: -562.517933 where: bonds (distance) C4'-P energy: -99.331 bonds (distance) P-C4' energy: -110.440 flat angles C4'-P-C4' energy: -116.695 flat angles P-C4'-P energy: -80.443 tors. eta vs tors. theta energy: -155.609 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: 1 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1849.340577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.340577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.340577 (E_RNA) where: Base-Base interactions energy: -1291.940 where: short stacking energy: -537.363 Base-Backbone interact. energy: -2.799 local terms energy: -554.600810 where: bonds (distance) C4'-P energy: -98.859 bonds (distance) P-C4' energy: -106.077 flat angles C4'-P-C4' energy: -117.114 flat angles P-C4'-P energy: -79.969 tors. eta vs tors. theta energy: -152.582 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: 4 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1783.274767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.274767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.274767 (E_RNA) where: Base-Base interactions energy: -1243.449 where: short stacking energy: -532.827 Base-Backbone interact. energy: 2.553 local terms energy: -542.378519 where: bonds (distance) C4'-P energy: -92.284 bonds (distance) P-C4' energy: -101.688 flat angles C4'-P-C4' energy: -114.899 flat angles P-C4'-P energy: -76.425 tors. eta vs tors. theta energy: -157.083 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: 3 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1731.912225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.912225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.912225 (E_RNA) where: Base-Base interactions energy: -1214.035 where: short stacking energy: -495.463 Base-Backbone interact. energy: -4.428 local terms energy: -513.448442 where: bonds (distance) C4'-P energy: -98.029 bonds (distance) P-C4' energy: -100.989 flat angles C4'-P-C4' energy: -110.186 flat angles P-C4'-P energy: -61.102 tors. eta vs tors. theta energy: -143.143 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: 6, replica: 5 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1567.403884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.403884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.403884 (E_RNA) where: Base-Base interactions energy: -1088.761 where: short stacking energy: -449.638 Base-Backbone interact. energy: -1.309 local terms energy: -477.333982 where: bonds (distance) C4'-P energy: -76.548 bonds (distance) P-C4' energy: -110.978 flat angles C4'-P-C4' energy: -103.252 flat angles P-C4'-P energy: -73.106 tors. eta vs tors. theta energy: -113.450 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: 7, replica: 9 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1417.457966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.457966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.457966 (E_RNA) where: Base-Base interactions energy: -974.588 where: short stacking energy: -414.203 Base-Backbone interact. energy: 3.695 local terms energy: -446.564873 where: bonds (distance) C4'-P energy: -78.101 bonds (distance) P-C4' energy: -96.436 flat angles C4'-P-C4' energy: -90.996 flat angles P-C4'-P energy: -72.470 tors. eta vs tors. theta energy: -108.562 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: 6 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1364.900852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.900852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.900852 (E_RNA) where: Base-Base interactions energy: -917.592 where: short stacking energy: -399.528 Base-Backbone interact. energy: -1.637 local terms energy: -445.672614 where: bonds (distance) C4'-P energy: -98.829 bonds (distance) P-C4' energy: -96.694 flat angles C4'-P-C4' energy: -95.713 flat angles P-C4'-P energy: -65.678 tors. eta vs tors. theta energy: -88.758 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: 10 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1165.403435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.403435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.403435 (E_RNA) where: Base-Base interactions energy: -766.874 where: short stacking energy: -331.323 Base-Backbone interact. energy: 3.387 local terms energy: -401.916485 where: bonds (distance) C4'-P energy: -87.880 bonds (distance) P-C4' energy: -97.135 flat angles C4'-P-C4' energy: -82.166 flat angles P-C4'-P energy: -58.434 tors. eta vs tors. theta energy: -76.300 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: 7 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -1143.397462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.397462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.397462 (E_RNA) where: Base-Base interactions energy: -765.633 where: short stacking energy: -329.612 Base-Backbone interact. energy: 1.819 local terms energy: -379.583681 where: bonds (distance) C4'-P energy: -90.987 bonds (distance) P-C4' energy: -104.225 flat angles C4'-P-C4' energy: -74.719 flat angles P-C4'-P energy: -53.383 tors. eta vs tors. theta energy: -56.270 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: 2 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1921.370358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.370358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.370358 (E_RNA) where: Base-Base interactions energy: -1336.452 where: short stacking energy: -558.407 Base-Backbone interact. energy: -1.257 local terms energy: -583.661171 where: bonds (distance) C4'-P energy: -100.250 bonds (distance) P-C4' energy: -121.042 flat angles C4'-P-C4' energy: -116.126 flat angles P-C4'-P energy: -81.996 tors. eta vs tors. theta energy: -164.248 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: 2, replica: 8 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1860.620778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.620778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.620778 (E_RNA) where: Base-Base interactions energy: -1300.943 where: short stacking energy: -552.309 Base-Backbone interact. energy: 3.730 local terms energy: -563.407953 where: bonds (distance) C4'-P energy: -90.294 bonds (distance) P-C4' energy: -116.338 flat angles C4'-P-C4' energy: -122.842 flat angles P-C4'-P energy: -80.446 tors. eta vs tors. theta energy: -153.487 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: 3, replica: 4 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1831.165988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.165988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.165988 (E_RNA) where: Base-Base interactions energy: -1279.653 where: short stacking energy: -524.041 Base-Backbone interact. energy: -3.013 local terms energy: -548.499760 where: bonds (distance) C4'-P energy: -91.483 bonds (distance) P-C4' energy: -120.293 flat angles C4'-P-C4' energy: -118.797 flat angles P-C4'-P energy: -70.595 tors. eta vs tors. theta energy: -147.332 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: 4, replica: 1 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1796.795334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.795334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.795334 (E_RNA) where: Base-Base interactions energy: -1265.186 where: short stacking energy: -524.214 Base-Backbone interact. energy: 1.334 local terms energy: -532.942983 where: bonds (distance) C4'-P energy: -92.209 bonds (distance) P-C4' energy: -107.840 flat angles C4'-P-C4' energy: -111.599 flat angles P-C4'-P energy: -77.096 tors. eta vs tors. theta energy: -144.200 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: 3 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1751.343588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.343588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.343588 (E_RNA) where: Base-Base interactions energy: -1236.089 where: short stacking energy: -508.741 Base-Backbone interact. energy: -1.244 local terms energy: -514.010323 where: bonds (distance) C4'-P energy: -86.820 bonds (distance) P-C4' energy: -106.094 flat angles C4'-P-C4' energy: -111.364 flat angles P-C4'-P energy: -67.636 tors. eta vs tors. theta energy: -142.097 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: 6, replica: 5 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1591.474314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.474314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.474314 (E_RNA) where: Base-Base interactions energy: -1105.234 where: short stacking energy: -447.223 Base-Backbone interact. energy: 0.749 local terms energy: -486.989940 where: bonds (distance) C4'-P energy: -89.064 bonds (distance) P-C4' energy: -111.650 flat angles C4'-P-C4' energy: -113.760 flat angles P-C4'-P energy: -61.535 tors. eta vs tors. theta energy: -110.981 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: 7, replica: 9 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1471.693273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.693273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.693273 (E_RNA) where: Base-Base interactions energy: -1024.526 where: short stacking energy: -415.110 Base-Backbone interact. energy: -3.395 local terms energy: -443.772619 where: bonds (distance) C4'-P energy: -88.209 bonds (distance) P-C4' energy: -99.642 flat angles C4'-P-C4' energy: -91.243 flat angles P-C4'-P energy: -55.370 tors. eta vs tors. theta energy: -109.309 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: 8, replica: 6 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1323.690056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.690056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.690056 (E_RNA) where: Base-Base interactions energy: -905.250 where: short stacking energy: -371.699 Base-Backbone interact. energy: 4.747 local terms energy: -423.187030 where: bonds (distance) C4'-P energy: -85.529 bonds (distance) P-C4' energy: -100.364 flat angles C4'-P-C4' energy: -87.135 flat angles P-C4'-P energy: -66.100 tors. eta vs tors. theta energy: -84.059 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: 10 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1163.409251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.409251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.409251 (E_RNA) where: Base-Base interactions energy: -758.142 where: short stacking energy: -350.010 Base-Backbone interact. energy: -1.772 local terms energy: -403.494407 where: bonds (distance) C4'-P energy: -83.376 bonds (distance) P-C4' energy: -97.085 flat angles C4'-P-C4' energy: -96.250 flat angles P-C4'-P energy: -62.378 tors. eta vs tors. theta energy: -64.405 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: 7 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -1091.973214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.973214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.973214 (E_RNA) where: Base-Base interactions energy: -713.922 where: short stacking energy: -309.350 Base-Backbone interact. energy: -1.600 local terms energy: -376.450974 where: bonds (distance) C4'-P energy: -84.181 bonds (distance) P-C4' energy: -90.591 flat angles C4'-P-C4' energy: -94.127 flat angles P-C4'-P energy: -48.425 tors. eta vs tors. theta energy: -59.128 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: 1, replica: 2 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1903.174520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.174520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.174520 (E_RNA) where: Base-Base interactions energy: -1330.634 where: short stacking energy: -551.901 Base-Backbone interact. energy: -1.716 local terms energy: -570.824891 where: bonds (distance) C4'-P energy: -96.238 bonds (distance) P-C4' energy: -114.848 flat angles C4'-P-C4' energy: -120.591 flat angles P-C4'-P energy: -83.877 tors. eta vs tors. theta energy: -155.271 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: 2, replica: 8 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1863.743288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.743288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.743288 (E_RNA) where: Base-Base interactions energy: -1291.878 where: short stacking energy: -536.440 Base-Backbone interact. energy: -1.101 local terms energy: -570.763933 where: bonds (distance) C4'-P energy: -101.621 bonds (distance) P-C4' energy: -119.546 flat angles C4'-P-C4' energy: -112.674 flat angles P-C4'-P energy: -82.669 tors. eta vs tors. theta energy: -154.254 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: 4 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1837.491816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.491816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.491816 (E_RNA) where: Base-Base interactions energy: -1301.113 where: short stacking energy: -530.365 Base-Backbone interact. energy: -0.802 local terms energy: -535.577541 where: bonds (distance) C4'-P energy: -82.683 bonds (distance) P-C4' energy: -112.113 flat angles C4'-P-C4' energy: -118.498 flat angles P-C4'-P energy: -72.116 tors. eta vs tors. theta energy: -150.168 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: 4, replica: 3 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1784.767242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.767242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.767242 (E_RNA) where: Base-Base interactions energy: -1243.050 where: short stacking energy: -517.787 Base-Backbone interact. energy: -1.401 local terms energy: -540.315895 where: bonds (distance) C4'-P energy: -84.478 bonds (distance) P-C4' energy: -112.836 flat angles C4'-P-C4' energy: -116.555 flat angles P-C4'-P energy: -77.048 tors. eta vs tors. theta energy: -149.398 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: 5, replica: 1 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1766.685258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.685258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.685258 (E_RNA) where: Base-Base interactions energy: -1235.180 where: short stacking energy: -518.875 Base-Backbone interact. energy: 0.580 local terms energy: -532.085398 where: bonds (distance) C4'-P energy: -78.945 bonds (distance) P-C4' energy: -111.264 flat angles C4'-P-C4' energy: -115.627 flat angles P-C4'-P energy: -77.081 tors. eta vs tors. theta energy: -149.169 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: 6, replica: 5 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1591.662451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.662451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.662451 (E_RNA) where: Base-Base interactions energy: -1099.403 where: short stacking energy: -461.416 Base-Backbone interact. energy: 0.000 local terms energy: -492.259293 where: bonds (distance) C4'-P energy: -87.174 bonds (distance) P-C4' energy: -107.420 flat angles C4'-P-C4' energy: -116.992 flat angles P-C4'-P energy: -63.468 tors. eta vs tors. theta energy: -117.206 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: 9 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1480.749359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.749359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.749359 (E_RNA) where: Base-Base interactions energy: -1023.165 where: short stacking energy: -442.486 Base-Backbone interact. energy: 2.267 local terms energy: -459.851180 where: bonds (distance) C4'-P energy: -100.605 bonds (distance) P-C4' energy: -86.131 flat angles C4'-P-C4' energy: -88.561 flat angles P-C4'-P energy: -76.044 tors. eta vs tors. theta energy: -108.511 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: 8, replica: 6 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1325.688003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.688003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.688003 (E_RNA) where: Base-Base interactions energy: -906.376 where: short stacking energy: -387.939 Base-Backbone interact. energy: -1.482 local terms energy: -417.829902 where: bonds (distance) C4'-P energy: -81.141 bonds (distance) P-C4' energy: -91.468 flat angles C4'-P-C4' energy: -95.541 flat angles P-C4'-P energy: -66.633 tors. eta vs tors. theta energy: -83.047 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: 10 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1126.051184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.051184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.051184 (E_RNA) where: Base-Base interactions energy: -705.067 where: short stacking energy: -312.407 Base-Backbone interact. energy: 2.759 local terms energy: -423.742553 where: bonds (distance) C4'-P energy: -89.691 bonds (distance) P-C4' energy: -111.644 flat angles C4'-P-C4' energy: -98.278 flat angles P-C4'-P energy: -57.654 tors. eta vs tors. theta energy: -66.476 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: 7 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -1111.142337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.142337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.142337 (E_RNA) where: Base-Base interactions energy: -740.727 where: short stacking energy: -317.894 Base-Backbone interact. energy: 4.189 local terms energy: -374.604021 where: bonds (distance) C4'-P energy: -74.866 bonds (distance) P-C4' energy: -98.043 flat angles C4'-P-C4' energy: -89.921 flat angles P-C4'-P energy: -54.618 tors. eta vs tors. theta energy: -57.156 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: 1, replica: 2 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1922.541233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.541233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.541233 (E_RNA) where: Base-Base interactions energy: -1365.025 where: short stacking energy: -565.636 Base-Backbone interact. energy: 2.688 local terms energy: -560.204043 where: bonds (distance) C4'-P energy: -97.931 bonds (distance) P-C4' energy: -102.074 flat angles C4'-P-C4' energy: -122.708 flat angles P-C4'-P energy: -83.714 tors. eta vs tors. theta energy: -153.778 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: 8 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1871.681688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.681688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.681688 (E_RNA) where: Base-Base interactions energy: -1296.706 where: short stacking energy: -548.685 Base-Backbone interact. energy: -3.193 local terms energy: -571.782703 where: bonds (distance) C4'-P energy: -101.099 bonds (distance) P-C4' energy: -113.910 flat angles C4'-P-C4' energy: -123.183 flat angles P-C4'-P energy: -81.846 tors. eta vs tors. theta energy: -151.743 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: 4 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1835.984841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.984841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.984841 (E_RNA) where: Base-Base interactions energy: -1285.102 where: short stacking energy: -510.816 Base-Backbone interact. energy: 0.856 local terms energy: -551.739061 where: bonds (distance) C4'-P energy: -110.431 bonds (distance) P-C4' energy: -106.925 flat angles C4'-P-C4' energy: -105.290 flat angles P-C4'-P energy: -85.368 tors. eta vs tors. theta energy: -143.726 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: 4, replica: 3 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1776.877473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.877473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.877473 (E_RNA) where: Base-Base interactions energy: -1233.069 where: short stacking energy: -519.097 Base-Backbone interact. energy: 2.683 local terms energy: -546.490894 where: bonds (distance) C4'-P energy: -104.767 bonds (distance) P-C4' energy: -99.540 flat angles C4'-P-C4' energy: -106.163 flat angles P-C4'-P energy: -86.881 tors. eta vs tors. theta energy: -149.140 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: 5, replica: 1 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1729.499333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.499333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.499333 (E_RNA) where: Base-Base interactions energy: -1211.024 where: short stacking energy: -510.128 Base-Backbone interact. energy: -1.180 local terms energy: -517.294554 where: bonds (distance) C4'-P energy: -98.991 bonds (distance) P-C4' energy: -98.938 flat angles C4'-P-C4' energy: -108.502 flat angles P-C4'-P energy: -71.743 tors. eta vs tors. theta energy: -139.121 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: 5 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1572.666528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.666528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.666528 (E_RNA) where: Base-Base interactions energy: -1089.491 where: short stacking energy: -433.670 Base-Backbone interact. energy: -3.116 local terms energy: -480.059532 where: bonds (distance) C4'-P energy: -96.505 bonds (distance) P-C4' energy: -110.252 flat angles C4'-P-C4' energy: -98.628 flat angles P-C4'-P energy: -63.727 tors. eta vs tors. theta energy: -110.948 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: 9 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1448.869824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.869824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.869824 (E_RNA) where: Base-Base interactions energy: -1002.045 where: short stacking energy: -412.421 Base-Backbone interact. energy: 0.432 local terms energy: -447.256817 where: bonds (distance) C4'-P energy: -89.558 bonds (distance) P-C4' energy: -90.744 flat angles C4'-P-C4' energy: -105.994 flat angles P-C4'-P energy: -59.129 tors. eta vs tors. theta energy: -101.832 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: 6 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1335.944558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.944558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.944558 (E_RNA) where: Base-Base interactions energy: -897.558 where: short stacking energy: -387.789 Base-Backbone interact. energy: 0.413 local terms energy: -438.799368 where: bonds (distance) C4'-P energy: -71.616 bonds (distance) P-C4' energy: -103.990 flat angles C4'-P-C4' energy: -98.724 flat angles P-C4'-P energy: -70.017 tors. eta vs tors. theta energy: -94.452 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: 7 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1180.596833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.596833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.596833 (E_RNA) where: Base-Base interactions energy: -779.606 where: short stacking energy: -357.437 Base-Backbone interact. energy: -1.315 local terms energy: -399.675427 where: bonds (distance) C4'-P energy: -87.043 bonds (distance) P-C4' energy: -93.997 flat angles C4'-P-C4' energy: -87.173 flat angles P-C4'-P energy: -55.385 tors. eta vs tors. theta energy: -76.078 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: 10 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -1110.483754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.483754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.483754 (E_RNA) where: Base-Base interactions energy: -713.431 where: short stacking energy: -324.448 Base-Backbone interact. energy: 0.287 local terms energy: -397.340475 where: bonds (distance) C4'-P energy: -87.890 bonds (distance) P-C4' energy: -94.811 flat angles C4'-P-C4' energy: -89.197 flat angles P-C4'-P energy: -59.326 tors. eta vs tors. theta energy: -66.118 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: 2 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1928.171575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.171575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.171575 (E_RNA) where: Base-Base interactions energy: -1379.585 where: short stacking energy: -556.815 Base-Backbone interact. energy: 4.081 local terms energy: -552.667897 where: bonds (distance) C4'-P energy: -96.180 bonds (distance) P-C4' energy: -101.696 flat angles C4'-P-C4' energy: -114.513 flat angles P-C4'-P energy: -80.513 tors. eta vs tors. theta energy: -159.766 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: 2, replica: 8 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1865.719773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.719773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.719773 (E_RNA) where: Base-Base interactions energy: -1306.002 where: short stacking energy: -532.679 Base-Backbone interact. energy: 1.566 local terms energy: -561.283396 where: bonds (distance) C4'-P energy: -108.151 bonds (distance) P-C4' energy: -120.106 flat angles C4'-P-C4' energy: -114.480 flat angles P-C4'-P energy: -62.661 tors. eta vs tors. theta energy: -155.885 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: 4 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1864.486127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.486127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.486127 (E_RNA) where: Base-Base interactions energy: -1307.798 where: short stacking energy: -545.446 Base-Backbone interact. energy: -3.421 local terms energy: -553.267493 where: bonds (distance) C4'-P energy: -97.136 bonds (distance) P-C4' energy: -106.885 flat angles C4'-P-C4' energy: -117.337 flat angles P-C4'-P energy: -78.528 tors. eta vs tors. theta energy: -153.381 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: 181 Temperature: 1.050000 Total energy: -1778.565767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.565767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.565767 (E_RNA) where: Base-Base interactions energy: -1226.695 where: short stacking energy: -502.359 Base-Backbone interact. energy: -0.165 local terms energy: -551.705588 where: bonds (distance) C4'-P energy: -95.298 bonds (distance) P-C4' energy: -118.625 flat angles C4'-P-C4' energy: -118.246 flat angles P-C4'-P energy: -76.079 tors. eta vs tors. theta energy: -143.458 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: 3 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1778.777102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.777102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.777102 (E_RNA) where: Base-Base interactions energy: -1238.898 where: short stacking energy: -507.575 Base-Backbone interact. energy: -0.803 local terms energy: -539.076149 where: bonds (distance) C4'-P energy: -82.999 bonds (distance) P-C4' energy: -105.397 flat angles C4'-P-C4' energy: -117.459 flat angles P-C4'-P energy: -81.825 tors. eta vs tors. theta energy: -151.396 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: 5 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1599.635581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.635581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.635581 (E_RNA) where: Base-Base interactions energy: -1116.424 where: short stacking energy: -459.588 Base-Backbone interact. energy: 1.948 local terms energy: -485.159447 where: bonds (distance) C4'-P energy: -90.753 bonds (distance) P-C4' energy: -94.052 flat angles C4'-P-C4' energy: -100.530 flat angles P-C4'-P energy: -78.796 tors. eta vs tors. theta energy: -121.029 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: 9 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1555.488446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.488446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.488446 (E_RNA) where: Base-Base interactions energy: -1074.196 where: short stacking energy: -424.851 Base-Backbone interact. energy: 7.621 local terms energy: -488.913308 where: bonds (distance) C4'-P energy: -101.418 bonds (distance) P-C4' energy: -113.629 flat angles C4'-P-C4' energy: -105.809 flat angles P-C4'-P energy: -59.108 tors. eta vs tors. theta energy: -108.949 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: 181 Temperature: 1.250000 Total energy: -1313.027979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.027979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.027979 (E_RNA) where: Base-Base interactions energy: -890.299 where: short stacking energy: -375.724 Base-Backbone interact. energy: 0.560 local terms energy: -423.289644 where: bonds (distance) C4'-P energy: -84.590 bonds (distance) P-C4' energy: -96.454 flat angles C4'-P-C4' energy: -96.063 flat angles P-C4'-P energy: -60.194 tors. eta vs tors. theta energy: -85.989 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: 7 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1153.577337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.577337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.577337 (E_RNA) where: Base-Base interactions energy: -750.734 where: short stacking energy: -317.903 Base-Backbone interact. energy: 0.760 local terms energy: -403.603651 where: bonds (distance) C4'-P energy: -84.266 bonds (distance) P-C4' energy: -112.316 flat angles C4'-P-C4' energy: -98.981 flat angles P-C4'-P energy: -47.519 tors. eta vs tors. theta energy: -60.521 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: 10 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -1099.614348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.614348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.614348 (E_RNA) where: Base-Base interactions energy: -701.086 where: short stacking energy: -295.470 Base-Backbone interact. energy: 1.076 local terms energy: -399.604912 where: bonds (distance) C4'-P energy: -97.312 bonds (distance) P-C4' energy: -104.085 flat angles C4'-P-C4' energy: -92.182 flat angles P-C4'-P energy: -58.602 tors. eta vs tors. theta energy: -47.424 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: 2 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1920.904276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.904276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.904276 (E_RNA) where: Base-Base interactions energy: -1356.267 where: short stacking energy: -555.873 Base-Backbone interact. energy: -0.119 local terms energy: -564.517361 where: bonds (distance) C4'-P energy: -98.475 bonds (distance) P-C4' energy: -116.752 flat angles C4'-P-C4' energy: -121.923 flat angles P-C4'-P energy: -76.771 tors. eta vs tors. theta energy: -150.597 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: 2, replica: 8 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1854.918759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.918759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.918759 (E_RNA) where: Base-Base interactions energy: -1295.675 where: short stacking energy: -526.536 Base-Backbone interact. energy: -2.554 local terms energy: -556.689887 where: bonds (distance) C4'-P energy: -95.102 bonds (distance) P-C4' energy: -114.259 flat angles C4'-P-C4' energy: -118.766 flat angles P-C4'-P energy: -79.069 tors. eta vs tors. theta energy: -149.493 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: 3, replica: 4 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1825.503875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.503875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.503875 (E_RNA) where: Base-Base interactions energy: -1294.188 where: short stacking energy: -530.036 Base-Backbone interact. energy: 5.809 local terms energy: -537.124799 where: bonds (distance) C4'-P energy: -92.492 bonds (distance) P-C4' energy: -103.948 flat angles C4'-P-C4' energy: -118.415 flat angles P-C4'-P energy: -74.394 tors. eta vs tors. theta energy: -147.876 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: 1 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1775.294496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.294496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.294496 (E_RNA) where: Base-Base interactions energy: -1242.077 where: short stacking energy: -493.650 Base-Backbone interact. energy: 3.427 local terms energy: -536.644352 where: bonds (distance) C4'-P energy: -99.235 bonds (distance) P-C4' energy: -109.872 flat angles C4'-P-C4' energy: -120.664 flat angles P-C4'-P energy: -69.801 tors. eta vs tors. theta energy: -137.073 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: 3 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1778.209935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.209935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.209935 (E_RNA) where: Base-Base interactions energy: -1243.317 where: short stacking energy: -515.574 Base-Backbone interact. energy: -3.325 local terms energy: -531.568445 where: bonds (distance) C4'-P energy: -94.718 bonds (distance) P-C4' energy: -112.327 flat angles C4'-P-C4' energy: -107.052 flat angles P-C4'-P energy: -77.697 tors. eta vs tors. theta energy: -139.774 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: 6, replica: 5 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1600.471332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.471332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.471332 (E_RNA) where: Base-Base interactions energy: -1115.002 where: short stacking energy: -466.311 Base-Backbone interact. energy: 0.062 local terms energy: -485.532173 where: bonds (distance) C4'-P energy: -84.792 bonds (distance) P-C4' energy: -104.604 flat angles C4'-P-C4' energy: -109.710 flat angles P-C4'-P energy: -68.787 tors. eta vs tors. theta energy: -117.639 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: 9 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1533.308613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.308613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.308613 (E_RNA) where: Base-Base interactions energy: -1069.457 where: short stacking energy: -442.177 Base-Backbone interact. energy: -2.102 local terms energy: -461.749382 where: bonds (distance) C4'-P energy: -78.605 bonds (distance) P-C4' energy: -100.037 flat angles C4'-P-C4' energy: -103.111 flat angles P-C4'-P energy: -70.029 tors. eta vs tors. theta energy: -109.968 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: 6 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1257.259334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.259334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.259334 (E_RNA) where: Base-Base interactions energy: -842.746 where: short stacking energy: -362.958 Base-Backbone interact. energy: 2.656 local terms energy: -417.169208 where: bonds (distance) C4'-P energy: -94.346 bonds (distance) P-C4' energy: -97.426 flat angles C4'-P-C4' energy: -78.619 flat angles P-C4'-P energy: -71.671 tors. eta vs tors. theta energy: -75.108 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: 9, replica: 7 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1167.500477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.500477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.500477 (E_RNA) where: Base-Base interactions energy: -758.726 where: short stacking energy: -328.937 Base-Backbone interact. energy: -0.723 local terms energy: -408.050914 where: bonds (distance) C4'-P energy: -93.208 bonds (distance) P-C4' energy: -98.339 flat angles C4'-P-C4' energy: -81.112 flat angles P-C4'-P energy: -60.781 tors. eta vs tors. theta energy: -74.610 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: 10 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -1094.483960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.483960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.483960 (E_RNA) where: Base-Base interactions energy: -680.371 where: short stacking energy: -296.555 Base-Backbone interact. energy: -0.467 local terms energy: -413.645888 where: bonds (distance) C4'-P energy: -98.282 bonds (distance) P-C4' energy: -95.529 flat angles C4'-P-C4' energy: -97.228 flat angles P-C4'-P energy: -59.921 tors. eta vs tors. theta energy: -62.686 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: 1, replica: 2 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1929.821835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.821835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.821835 (E_RNA) where: Base-Base interactions energy: -1350.023 where: short stacking energy: -553.752 Base-Backbone interact. energy: -0.708 local terms energy: -579.090673 where: bonds (distance) C4'-P energy: -106.738 bonds (distance) P-C4' energy: -115.589 flat angles C4'-P-C4' energy: -118.833 flat angles P-C4'-P energy: -76.992 tors. eta vs tors. theta energy: -160.937 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: 2, replica: 8 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1878.298339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.298339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.298339 (E_RNA) where: Base-Base interactions energy: -1317.916 where: short stacking energy: -549.502 Base-Backbone interact. energy: -0.890 local terms energy: -559.491631 where: bonds (distance) C4'-P energy: -97.867 bonds (distance) P-C4' energy: -104.294 flat angles C4'-P-C4' energy: -119.605 flat angles P-C4'-P energy: -80.505 tors. eta vs tors. theta energy: -157.220 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: 4 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1858.144074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.144074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.144074 (E_RNA) where: Base-Base interactions energy: -1294.190 where: short stacking energy: -552.490 Base-Backbone interact. energy: -0.041 local terms energy: -563.912613 where: bonds (distance) C4'-P energy: -103.853 bonds (distance) P-C4' energy: -115.128 flat angles C4'-P-C4' energy: -105.087 flat angles P-C4'-P energy: -81.074 tors. eta vs tors. theta energy: -158.771 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: 3 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1806.445165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.445165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.445165 (E_RNA) where: Base-Base interactions energy: -1271.708 where: short stacking energy: -531.453 Base-Backbone interact. energy: 1.046 local terms energy: -535.783188 where: bonds (distance) C4'-P energy: -94.764 bonds (distance) P-C4' energy: -97.304 flat angles C4'-P-C4' energy: -111.840 flat angles P-C4'-P energy: -84.978 tors. eta vs tors. theta energy: -146.897 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: 1 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1718.884314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.884314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.884314 (E_RNA) where: Base-Base interactions energy: -1203.916 where: short stacking energy: -483.570 Base-Backbone interact. energy: 1.747 local terms energy: -516.715506 where: bonds (distance) C4'-P energy: -95.570 bonds (distance) P-C4' energy: -105.102 flat angles C4'-P-C4' energy: -110.089 flat angles P-C4'-P energy: -73.026 tors. eta vs tors. theta energy: -132.929 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: 6, replica: 5 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1610.101886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.101886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.101886 (E_RNA) where: Base-Base interactions energy: -1110.574 where: short stacking energy: -441.512 Base-Backbone interact. energy: -1.527 local terms energy: -498.001281 where: bonds (distance) C4'-P energy: -96.075 bonds (distance) P-C4' energy: -102.962 flat angles C4'-P-C4' energy: -109.848 flat angles P-C4'-P energy: -77.016 tors. eta vs tors. theta energy: -112.101 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: 7, replica: 9 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1479.575982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.575982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.575982 (E_RNA) where: Base-Base interactions energy: -1030.043 where: short stacking energy: -430.979 Base-Backbone interact. energy: -0.873 local terms energy: -448.659856 where: bonds (distance) C4'-P energy: -84.238 bonds (distance) P-C4' energy: -96.183 flat angles C4'-P-C4' energy: -106.557 flat angles P-C4'-P energy: -60.574 tors. eta vs tors. theta energy: -101.108 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: 8, replica: 6 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1264.983086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.983086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.983086 (E_RNA) where: Base-Base interactions energy: -843.260 where: short stacking energy: -359.026 Base-Backbone interact. energy: 1.657 local terms energy: -423.380085 where: bonds (distance) C4'-P energy: -89.699 bonds (distance) P-C4' energy: -99.420 flat angles C4'-P-C4' energy: -98.704 flat angles P-C4'-P energy: -65.066 tors. eta vs tors. theta energy: -70.492 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: 9, replica: 7 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1170.444710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.444710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.444710 (E_RNA) where: Base-Base interactions energy: -771.604 where: short stacking energy: -340.319 Base-Backbone interact. energy: -1.471 local terms energy: -397.369386 where: bonds (distance) C4'-P energy: -84.697 bonds (distance) P-C4' energy: -87.982 flat angles C4'-P-C4' energy: -98.269 flat angles P-C4'-P energy: -50.595 tors. eta vs tors. theta energy: -75.827 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: 10 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -1106.922669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.922669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.922669 (E_RNA) where: Base-Base interactions energy: -724.497 where: short stacking energy: -310.315 Base-Backbone interact. energy: 2.046 local terms energy: -384.470769 where: bonds (distance) C4'-P energy: -82.116 bonds (distance) P-C4' energy: -106.097 flat angles C4'-P-C4' energy: -78.053 flat angles P-C4'-P energy: -58.987 tors. eta vs tors. theta energy: -59.219 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: 1, replica: 2 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1929.486874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.486874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.486874 (E_RNA) where: Base-Base interactions energy: -1365.132 where: short stacking energy: -570.435 Base-Backbone interact. energy: 1.206 local terms energy: -565.561058 where: bonds (distance) C4'-P energy: -101.822 bonds (distance) P-C4' energy: -111.388 flat angles C4'-P-C4' energy: -112.102 flat angles P-C4'-P energy: -81.695 tors. eta vs tors. theta energy: -158.553 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: 8 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1887.618846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.618846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.618846 (E_RNA) where: Base-Base interactions energy: -1321.025 where: short stacking energy: -551.674 Base-Backbone interact. energy: 1.320 local terms energy: -567.914236 where: bonds (distance) C4'-P energy: -100.146 bonds (distance) P-C4' energy: -109.722 flat angles C4'-P-C4' energy: -117.178 flat angles P-C4'-P energy: -83.708 tors. eta vs tors. theta energy: -157.161 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: 3, replica: 3 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1837.804374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.804374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.804374 (E_RNA) where: Base-Base interactions energy: -1283.826 where: short stacking energy: -539.861 Base-Backbone interact. energy: -2.044 local terms energy: -551.934184 where: bonds (distance) C4'-P energy: -98.969 bonds (distance) P-C4' energy: -116.853 flat angles C4'-P-C4' energy: -115.729 flat angles P-C4'-P energy: -71.220 tors. eta vs tors. theta energy: -149.164 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: 4, replica: 4 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1794.209590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.209590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.209590 (E_RNA) where: Base-Base interactions energy: -1241.187 where: short stacking energy: -511.254 Base-Backbone interact. energy: -0.925 local terms energy: -552.097665 where: bonds (distance) C4'-P energy: -106.617 bonds (distance) P-C4' energy: -113.984 flat angles C4'-P-C4' energy: -111.479 flat angles P-C4'-P energy: -77.502 tors. eta vs tors. theta energy: -142.515 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: 1 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1721.128880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.128880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.128880 (E_RNA) where: Base-Base interactions energy: -1199.486 where: short stacking energy: -488.892 Base-Backbone interact. energy: 2.630 local terms energy: -524.273040 where: bonds (distance) C4'-P energy: -99.294 bonds (distance) P-C4' energy: -105.686 flat angles C4'-P-C4' energy: -109.606 flat angles P-C4'-P energy: -77.221 tors. eta vs tors. theta energy: -132.466 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: 6, replica: 5 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1581.745038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.745038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.745038 (E_RNA) where: Base-Base interactions energy: -1090.969 where: short stacking energy: -466.659 Base-Backbone interact. energy: -1.393 local terms energy: -489.382858 where: bonds (distance) C4'-P energy: -91.541 bonds (distance) P-C4' energy: -92.242 flat angles C4'-P-C4' energy: -115.005 flat angles P-C4'-P energy: -67.442 tors. eta vs tors. theta energy: -123.153 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: 7, replica: 9 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1411.185871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.185871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.185871 (E_RNA) where: Base-Base interactions energy: -986.464 where: short stacking energy: -392.913 Base-Backbone interact. energy: 6.328 local terms energy: -431.050307 where: bonds (distance) C4'-P energy: -79.704 bonds (distance) P-C4' energy: -92.806 flat angles C4'-P-C4' energy: -100.935 flat angles P-C4'-P energy: -64.875 tors. eta vs tors. theta energy: -92.730 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: 6 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1249.955860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.955860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.955860 (E_RNA) where: Base-Base interactions energy: -829.421 where: short stacking energy: -354.507 Base-Backbone interact. energy: 1.519 local terms energy: -422.054511 where: bonds (distance) C4'-P energy: -86.570 bonds (distance) P-C4' energy: -103.606 flat angles C4'-P-C4' energy: -106.670 flat angles P-C4'-P energy: -62.015 tors. eta vs tors. theta energy: -63.194 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: 7 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1179.012430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.012430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.012430 (E_RNA) where: Base-Base interactions energy: -745.704 where: short stacking energy: -334.880 Base-Backbone interact. energy: 0.387 local terms energy: -433.695368 where: bonds (distance) C4'-P energy: -93.625 bonds (distance) P-C4' energy: -101.956 flat angles C4'-P-C4' energy: -102.141 flat angles P-C4'-P energy: -68.558 tors. eta vs tors. theta energy: -67.416 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: 10 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -1121.390691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.390691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.390691 (E_RNA) where: Base-Base interactions energy: -721.671 where: short stacking energy: -325.618 Base-Backbone interact. energy: -1.605 local terms energy: -398.113972 where: bonds (distance) C4'-P energy: -78.101 bonds (distance) P-C4' energy: -98.188 flat angles C4'-P-C4' energy: -91.638 flat angles P-C4'-P energy: -63.656 tors. eta vs tors. theta energy: -66.531 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: 1, replica: 2 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1929.203941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.203941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.203941 (E_RNA) where: Base-Base interactions energy: -1352.623 where: short stacking energy: -559.614 Base-Backbone interact. energy: 0.371 local terms energy: -576.951303 where: bonds (distance) C4'-P energy: -104.840 bonds (distance) P-C4' energy: -113.818 flat angles C4'-P-C4' energy: -122.647 flat angles P-C4'-P energy: -76.152 tors. eta vs tors. theta energy: -159.495 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: 2, replica: 3 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1853.464494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.464494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.464494 (E_RNA) where: Base-Base interactions energy: -1299.898 where: short stacking energy: -554.960 Base-Backbone interact. energy: 1.028 local terms energy: -554.594721 where: bonds (distance) C4'-P energy: -89.884 bonds (distance) P-C4' energy: -120.778 flat angles C4'-P-C4' energy: -108.624 flat angles P-C4'-P energy: -81.097 tors. eta vs tors. theta energy: -154.212 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: 8 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1882.039777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.039777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.039777 (E_RNA) where: Base-Base interactions energy: -1316.569 where: short stacking energy: -545.225 Base-Backbone interact. energy: -0.398 local terms energy: -565.072172 where: bonds (distance) C4'-P energy: -94.109 bonds (distance) P-C4' energy: -115.596 flat angles C4'-P-C4' energy: -117.058 flat angles P-C4'-P energy: -81.073 tors. eta vs tors. theta energy: -157.236 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: 4, replica: 4 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1799.958326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.958326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.958326 (E_RNA) where: Base-Base interactions energy: -1248.161 where: short stacking energy: -525.123 Base-Backbone interact. energy: 3.240 local terms energy: -555.036834 where: bonds (distance) C4'-P energy: -106.595 bonds (distance) P-C4' energy: -107.533 flat angles C4'-P-C4' energy: -115.609 flat angles P-C4'-P energy: -78.574 tors. eta vs tors. theta energy: -146.726 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: 5, replica: 1 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1710.716364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.716364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.716364 (E_RNA) where: Base-Base interactions energy: -1218.571 where: short stacking energy: -500.092 Base-Backbone interact. energy: -1.079 local terms energy: -491.065860 where: bonds (distance) C4'-P energy: -93.344 bonds (distance) P-C4' energy: -97.366 flat angles C4'-P-C4' energy: -107.126 flat angles P-C4'-P energy: -69.706 tors. eta vs tors. theta energy: -123.525 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: 5 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1577.250782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.250782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.250782 (E_RNA) where: Base-Base interactions energy: -1075.640 where: short stacking energy: -452.972 Base-Backbone interact. energy: -1.604 local terms energy: -500.006532 where: bonds (distance) C4'-P energy: -98.329 bonds (distance) P-C4' energy: -100.254 flat angles C4'-P-C4' energy: -114.233 flat angles P-C4'-P energy: -69.281 tors. eta vs tors. theta energy: -117.909 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: 7, replica: 9 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1414.195216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.195216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.195216 (E_RNA) where: Base-Base interactions energy: -947.945 where: short stacking energy: -407.478 Base-Backbone interact. energy: -2.434 local terms energy: -463.815878 where: bonds (distance) C4'-P energy: -85.430 bonds (distance) P-C4' energy: -104.638 flat angles C4'-P-C4' energy: -107.008 flat angles P-C4'-P energy: -68.344 tors. eta vs tors. theta energy: -98.395 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: 8, replica: 6 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1211.820936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.820936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.820936 (E_RNA) where: Base-Base interactions energy: -785.304 where: short stacking energy: -350.321 Base-Backbone interact. energy: 1.260 local terms energy: -427.777005 where: bonds (distance) C4'-P energy: -86.368 bonds (distance) P-C4' energy: -105.195 flat angles C4'-P-C4' energy: -94.997 flat angles P-C4'-P energy: -66.085 tors. eta vs tors. theta energy: -75.133 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: 9, replica: 7 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1174.121983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.121983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.121983 (E_RNA) where: Base-Base interactions energy: -774.288 where: short stacking energy: -331.488 Base-Backbone interact. energy: -0.777 local terms energy: -399.057500 where: bonds (distance) C4'-P energy: -79.409 bonds (distance) P-C4' energy: -102.816 flat angles C4'-P-C4' energy: -86.496 flat angles P-C4'-P energy: -66.608 tors. eta vs tors. theta energy: -63.728 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: 10 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -1135.179284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.179284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.179284 (E_RNA) where: Base-Base interactions energy: -746.602 where: short stacking energy: -320.585 Base-Backbone interact. energy: -2.671 local terms energy: -385.906467 where: bonds (distance) C4'-P energy: -85.408 bonds (distance) P-C4' energy: -89.215 flat angles C4'-P-C4' energy: -92.765 flat angles P-C4'-P energy: -64.895 tors. eta vs tors. theta energy: -53.624 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: 2 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1898.093178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.093178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.093178 (E_RNA) where: Base-Base interactions energy: -1329.355 where: short stacking energy: -557.691 Base-Backbone interact. energy: -1.561 local terms energy: -567.177416 where: bonds (distance) C4'-P energy: -93.215 bonds (distance) P-C4' energy: -114.641 flat angles C4'-P-C4' energy: -119.245 flat angles P-C4'-P energy: -85.687 tors. eta vs tors. theta energy: -154.389 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: 2, replica: 3 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1854.745452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.745452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.745452 (E_RNA) where: Base-Base interactions energy: -1287.519 where: short stacking energy: -540.127 Base-Backbone interact. energy: 6.203 local terms energy: -573.429849 where: bonds (distance) C4'-P energy: -110.477 bonds (distance) P-C4' energy: -112.817 flat angles C4'-P-C4' energy: -119.090 flat angles P-C4'-P energy: -78.687 tors. eta vs tors. theta energy: -152.358 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: 3, replica: 4 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1806.201450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.201450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.201450 (E_RNA) where: Base-Base interactions energy: -1257.065 where: short stacking energy: -512.681 Base-Backbone interact. energy: -2.218 local terms energy: -546.918556 where: bonds (distance) C4'-P energy: -89.116 bonds (distance) P-C4' energy: -112.049 flat angles C4'-P-C4' energy: -124.593 flat angles P-C4'-P energy: -70.009 tors. eta vs tors. theta energy: -151.152 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: 8 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1824.970810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.970810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.970810 (E_RNA) where: Base-Base interactions energy: -1290.329 where: short stacking energy: -514.488 Base-Backbone interact. energy: -1.082 local terms energy: -533.559534 where: bonds (distance) C4'-P energy: -92.547 bonds (distance) P-C4' energy: -124.648 flat angles C4'-P-C4' energy: -98.721 flat angles P-C4'-P energy: -70.683 tors. eta vs tors. theta energy: -146.960 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: 5, replica: 1 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1729.584146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.584146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.584146 (E_RNA) where: Base-Base interactions energy: -1204.586 where: short stacking energy: -499.719 Base-Backbone interact. energy: -3.191 local terms energy: -521.806426 where: bonds (distance) C4'-P energy: -91.618 bonds (distance) P-C4' energy: -108.163 flat angles C4'-P-C4' energy: -103.266 flat angles P-C4'-P energy: -74.666 tors. eta vs tors. theta energy: -144.093 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: 5 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1578.921960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.921960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.921960 (E_RNA) where: Base-Base interactions energy: -1091.981 where: short stacking energy: -446.343 Base-Backbone interact. energy: 1.605 local terms energy: -488.546087 where: bonds (distance) C4'-P energy: -94.318 bonds (distance) P-C4' energy: -100.874 flat angles C4'-P-C4' energy: -108.251 flat angles P-C4'-P energy: -72.257 tors. eta vs tors. theta energy: -112.847 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: 9 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1438.342810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.342810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.342810 (E_RNA) where: Base-Base interactions energy: -987.370 where: short stacking energy: -409.097 Base-Backbone interact. energy: -1.295 local terms energy: -449.677687 where: bonds (distance) C4'-P energy: -85.070 bonds (distance) P-C4' energy: -99.919 flat angles C4'-P-C4' energy: -99.764 flat angles P-C4'-P energy: -76.684 tors. eta vs tors. theta energy: -88.241 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: 8, replica: 6 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1222.733707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.733707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.733707 (E_RNA) where: Base-Base interactions energy: -790.168 where: short stacking energy: -344.208 Base-Backbone interact. energy: -0.618 local terms energy: -431.948044 where: bonds (distance) C4'-P energy: -83.340 bonds (distance) P-C4' energy: -99.722 flat angles C4'-P-C4' energy: -100.726 flat angles P-C4'-P energy: -71.002 tors. eta vs tors. theta energy: -77.158 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: 9, replica: 7 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1180.165925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.165925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.165925 (E_RNA) where: Base-Base interactions energy: -779.281 where: short stacking energy: -346.823 Base-Backbone interact. energy: -1.635 local terms energy: -399.249740 where: bonds (distance) C4'-P energy: -83.330 bonds (distance) P-C4' energy: -99.834 flat angles C4'-P-C4' energy: -90.005 flat angles P-C4'-P energy: -56.881 tors. eta vs tors. theta energy: -69.200 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: 10 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -1092.379362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.379362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.379362 (E_RNA) where: Base-Base interactions energy: -696.153 where: short stacking energy: -294.005 Base-Backbone interact. energy: -0.557 local terms energy: -395.669698 where: bonds (distance) C4'-P energy: -75.963 bonds (distance) P-C4' energy: -106.714 flat angles C4'-P-C4' energy: -100.449 flat angles P-C4'-P energy: -56.939 tors. eta vs tors. theta energy: -55.604 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: 2 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1939.706479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.706479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.706479 (E_RNA) where: Base-Base interactions energy: -1360.341 where: short stacking energy: -562.858 Base-Backbone interact. energy: -1.561 local terms energy: -577.804012 where: bonds (distance) C4'-P energy: -100.974 bonds (distance) P-C4' energy: -114.175 flat angles C4'-P-C4' energy: -119.349 flat angles P-C4'-P energy: -86.314 tors. eta vs tors. theta energy: -156.992 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: 4 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1851.596661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.596661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.596661 (E_RNA) where: Base-Base interactions energy: -1289.219 where: short stacking energy: -549.835 Base-Backbone interact. energy: 2.165 local terms energy: -564.543091 where: bonds (distance) C4'-P energy: -98.663 bonds (distance) P-C4' energy: -104.958 flat angles C4'-P-C4' energy: -118.687 flat angles P-C4'-P energy: -85.219 tors. eta vs tors. theta energy: -157.015 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: 3, replica: 3 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1839.462479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.462479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.462479 (E_RNA) where: Base-Base interactions energy: -1273.351 where: short stacking energy: -531.568 Base-Backbone interact. energy: 0.201 local terms energy: -566.312652 where: bonds (distance) C4'-P energy: -106.701 bonds (distance) P-C4' energy: -115.985 flat angles C4'-P-C4' energy: -117.140 flat angles P-C4'-P energy: -75.307 tors. eta vs tors. theta energy: -151.180 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: 4, replica: 8 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1854.717721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.717721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.717721 (E_RNA) where: Base-Base interactions energy: -1305.660 where: short stacking energy: -542.582 Base-Backbone interact. energy: -2.800 local terms energy: -546.257659 where: bonds (distance) C4'-P energy: -97.130 bonds (distance) P-C4' energy: -108.114 flat angles C4'-P-C4' energy: -108.272 flat angles P-C4'-P energy: -80.795 tors. eta vs tors. theta energy: -151.947 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: 1 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1728.796050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.796050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.796050 (E_RNA) where: Base-Base interactions energy: -1192.724 where: short stacking energy: -505.265 Base-Backbone interact. energy: 0.108 local terms energy: -536.180448 where: bonds (distance) C4'-P energy: -99.687 bonds (distance) P-C4' energy: -105.310 flat angles C4'-P-C4' energy: -111.520 flat angles P-C4'-P energy: -75.999 tors. eta vs tors. theta energy: -143.665 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: 6, replica: 5 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1596.728960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.728960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.728960 (E_RNA) where: Base-Base interactions energy: -1095.334 where: short stacking energy: -459.072 Base-Backbone interact. energy: 6.153 local terms energy: -507.548317 where: bonds (distance) C4'-P energy: -93.049 bonds (distance) P-C4' energy: -103.276 flat angles C4'-P-C4' energy: -114.797 flat angles P-C4'-P energy: -76.709 tors. eta vs tors. theta energy: -119.718 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: 7, replica: 9 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1376.899352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.899352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.899352 (E_RNA) where: Base-Base interactions energy: -941.036 where: short stacking energy: -397.936 Base-Backbone interact. energy: 0.963 local terms energy: -436.825580 where: bonds (distance) C4'-P energy: -79.576 bonds (distance) P-C4' energy: -90.266 flat angles C4'-P-C4' energy: -119.199 flat angles P-C4'-P energy: -62.704 tors. eta vs tors. theta energy: -85.080 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: 8, replica: 7 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1213.326255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.326255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.326255 (E_RNA) where: Base-Base interactions energy: -806.908 where: short stacking energy: -359.524 Base-Backbone interact. energy: -3.046 local terms energy: -403.372090 where: bonds (distance) C4'-P energy: -84.003 bonds (distance) P-C4' energy: -92.525 flat angles C4'-P-C4' energy: -100.611 flat angles P-C4'-P energy: -59.397 tors. eta vs tors. theta energy: -66.836 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: 187 Temperature: 1.300000 Total energy: -1203.218949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.218949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.218949 (E_RNA) where: Base-Base interactions energy: -801.721 where: short stacking energy: -351.012 Base-Backbone interact. energy: -1.020 local terms energy: -400.477887 where: bonds (distance) C4'-P energy: -83.927 bonds (distance) P-C4' energy: -95.642 flat angles C4'-P-C4' energy: -89.157 flat angles P-C4'-P energy: -59.517 tors. eta vs tors. theta energy: -72.235 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: 10, replica: 10 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -1086.960778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.960778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.960778 (E_RNA) where: Base-Base interactions energy: -686.985 where: short stacking energy: -312.329 Base-Backbone interact. energy: 3.890 local terms energy: -403.865757 where: bonds (distance) C4'-P energy: -92.760 bonds (distance) P-C4' energy: -92.520 flat angles C4'-P-C4' energy: -83.915 flat angles P-C4'-P energy: -76.238 tors. eta vs tors. theta energy: -58.432 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: 2 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1912.082329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.082329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.082329 (E_RNA) where: Base-Base interactions energy: -1338.929 where: short stacking energy: -548.389 Base-Backbone interact. energy: -1.377 local terms energy: -571.776025 where: bonds (distance) C4'-P energy: -104.913 bonds (distance) P-C4' energy: -102.964 flat angles C4'-P-C4' energy: -122.278 flat angles P-C4'-P energy: -82.178 tors. eta vs tors. theta energy: -159.443 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: 2, replica: 4 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1844.780200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.780200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.780200 (E_RNA) where: Base-Base interactions energy: -1292.618 where: short stacking energy: -524.394 Base-Backbone interact. energy: -0.133 local terms energy: -552.028652 where: bonds (distance) C4'-P energy: -97.179 bonds (distance) P-C4' energy: -101.709 flat angles C4'-P-C4' energy: -119.811 flat angles P-C4'-P energy: -81.504 tors. eta vs tors. theta energy: -151.825 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: 8 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1881.070675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.070675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.070675 (E_RNA) where: Base-Base interactions energy: -1319.795 where: short stacking energy: -543.983 Base-Backbone interact. energy: -0.482 local terms energy: -560.793938 where: bonds (distance) C4'-P energy: -97.972 bonds (distance) P-C4' energy: -103.506 flat angles C4'-P-C4' energy: -119.228 flat angles P-C4'-P energy: -83.351 tors. eta vs tors. theta energy: -156.737 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: 3 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1785.318860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.318860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.318860 (E_RNA) where: Base-Base interactions energy: -1239.004 where: short stacking energy: -488.726 Base-Backbone interact. energy: -0.805 local terms energy: -545.509235 where: bonds (distance) C4'-P energy: -90.734 bonds (distance) P-C4' energy: -111.030 flat angles C4'-P-C4' energy: -112.774 flat angles P-C4'-P energy: -83.590 tors. eta vs tors. theta energy: -147.381 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: 5, replica: 1 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1722.521965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.521965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.521965 (E_RNA) where: Base-Base interactions energy: -1196.247 where: short stacking energy: -486.757 Base-Backbone interact. energy: -1.428 local terms energy: -524.846861 where: bonds (distance) C4'-P energy: -93.785 bonds (distance) P-C4' energy: -112.809 flat angles C4'-P-C4' energy: -109.695 flat angles P-C4'-P energy: -69.687 tors. eta vs tors. theta energy: -138.871 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: 6, replica: 5 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1591.447087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.447087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.447087 (E_RNA) where: Base-Base interactions energy: -1069.818 where: short stacking energy: -444.866 Base-Backbone interact. energy: -0.579 local terms energy: -521.049933 where: bonds (distance) C4'-P energy: -98.966 bonds (distance) P-C4' energy: -111.535 flat angles C4'-P-C4' energy: -108.385 flat angles P-C4'-P energy: -81.550 tors. eta vs tors. theta energy: -120.614 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: 7, replica: 9 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1308.453096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.453096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.453096 (E_RNA) where: Base-Base interactions energy: -890.909 where: short stacking energy: -373.644 Base-Backbone interact. energy: 2.826 local terms energy: -420.370259 where: bonds (distance) C4'-P energy: -100.154 bonds (distance) P-C4' energy: -99.227 flat angles C4'-P-C4' energy: -75.164 flat angles P-C4'-P energy: -60.416 tors. eta vs tors. theta energy: -85.409 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: 7 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1243.222810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.222810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.222810 (E_RNA) where: Base-Base interactions energy: -834.144 where: short stacking energy: -351.395 Base-Backbone interact. energy: -2.302 local terms energy: -406.777468 where: bonds (distance) C4'-P energy: -80.199 bonds (distance) P-C4' energy: -100.251 flat angles C4'-P-C4' energy: -94.327 flat angles P-C4'-P energy: -72.723 tors. eta vs tors. theta energy: -59.277 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: 9, replica: 6 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1225.371999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.371999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.371999 (E_RNA) where: Base-Base interactions energy: -811.780 where: short stacking energy: -354.629 Base-Backbone interact. energy: -0.940 local terms energy: -412.651739 where: bonds (distance) C4'-P energy: -85.720 bonds (distance) P-C4' energy: -104.397 flat angles C4'-P-C4' energy: -94.878 flat angles P-C4'-P energy: -56.231 tors. eta vs tors. theta energy: -71.426 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: 10, replica: 10 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -1086.006573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.006573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.006573 (E_RNA) where: Base-Base interactions energy: -705.311 where: short stacking energy: -319.719 Base-Backbone interact. energy: 2.126 local terms energy: -382.821609 where: bonds (distance) C4'-P energy: -71.158 bonds (distance) P-C4' energy: -98.311 flat angles C4'-P-C4' energy: -88.699 flat angles P-C4'-P energy: -60.680 tors. eta vs tors. theta energy: -63.974 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: 1, replica: 2 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1921.674855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.674855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.674855 (E_RNA) where: Base-Base interactions energy: -1347.466 where: short stacking energy: -552.955 Base-Backbone interact. energy: 0.214 local terms energy: -574.423324 where: bonds (distance) C4'-P energy: -108.054 bonds (distance) P-C4' energy: -113.077 flat angles C4'-P-C4' energy: -109.656 flat angles P-C4'-P energy: -84.305 tors. eta vs tors. theta energy: -159.331 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: 2, replica: 8 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1896.180637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.180637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.180637 (E_RNA) where: Base-Base interactions energy: -1328.077 where: short stacking energy: -553.677 Base-Backbone interact. energy: -0.014 local terms energy: -568.088974 where: bonds (distance) C4'-P energy: -96.734 bonds (distance) P-C4' energy: -110.589 flat angles C4'-P-C4' energy: -118.044 flat angles P-C4'-P energy: -82.292 tors. eta vs tors. theta energy: -160.431 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: 189 Temperature: 1.000000 Total energy: -1818.319626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.319626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.319626 (E_RNA) where: Base-Base interactions energy: -1267.622 where: short stacking energy: -522.831 Base-Backbone interact. energy: 5.006 local terms energy: -555.702948 where: bonds (distance) C4'-P energy: -99.626 bonds (distance) P-C4' energy: -110.951 flat angles C4'-P-C4' energy: -117.217 flat angles P-C4'-P energy: -74.935 tors. eta vs tors. theta energy: -152.975 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: 1 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1783.403553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.403553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.403553 (E_RNA) where: Base-Base interactions energy: -1256.968 where: short stacking energy: -528.576 Base-Backbone interact. energy: 0.297 local terms energy: -526.732834 where: bonds (distance) C4'-P energy: -87.411 bonds (distance) P-C4' energy: -112.106 flat angles C4'-P-C4' energy: -108.534 flat angles P-C4'-P energy: -72.501 tors. eta vs tors. theta energy: -146.180 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: 3 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1759.202059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.202059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.202059 (E_RNA) where: Base-Base interactions energy: -1225.036 where: short stacking energy: -510.506 Base-Backbone interact. energy: -1.536 local terms energy: -532.629828 where: bonds (distance) C4'-P energy: -94.540 bonds (distance) P-C4' energy: -106.220 flat angles C4'-P-C4' energy: -109.205 flat angles P-C4'-P energy: -76.674 tors. eta vs tors. theta energy: -145.992 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: 5 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1638.569981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.569981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.569981 (E_RNA) where: Base-Base interactions energy: -1140.552 where: short stacking energy: -479.967 Base-Backbone interact. energy: 0.817 local terms energy: -498.835833 where: bonds (distance) C4'-P energy: -98.474 bonds (distance) P-C4' energy: -105.399 flat angles C4'-P-C4' energy: -96.578 flat angles P-C4'-P energy: -78.020 tors. eta vs tors. theta energy: -120.364 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: 7, replica: 9 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1329.811148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.811148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.811148 (E_RNA) where: Base-Base interactions energy: -889.913 where: short stacking energy: -385.852 Base-Backbone interact. energy: -0.559 local terms energy: -439.338797 where: bonds (distance) C4'-P energy: -83.757 bonds (distance) P-C4' energy: -104.955 flat angles C4'-P-C4' energy: -105.031 flat angles P-C4'-P energy: -54.311 tors. eta vs tors. theta energy: -91.285 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: 7 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1222.715492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.715492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.715492 (E_RNA) where: Base-Base interactions energy: -799.922 where: short stacking energy: -340.901 Base-Backbone interact. energy: 2.760 local terms energy: -425.554338 where: bonds (distance) C4'-P energy: -94.470 bonds (distance) P-C4' energy: -99.179 flat angles C4'-P-C4' energy: -89.097 flat angles P-C4'-P energy: -65.243 tors. eta vs tors. theta energy: -77.566 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: 9, replica: 6 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1206.109611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.109611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.109611 (E_RNA) where: Base-Base interactions energy: -805.152 where: short stacking energy: -356.594 Base-Backbone interact. energy: -1.247 local terms energy: -399.710879 where: bonds (distance) C4'-P energy: -91.673 bonds (distance) P-C4' energy: -94.427 flat angles C4'-P-C4' energy: -81.107 flat angles P-C4'-P energy: -74.208 tors. eta vs tors. theta energy: -58.295 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: 10 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -1085.483624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.483624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.483624 (E_RNA) where: Base-Base interactions energy: -694.659 where: short stacking energy: -310.629 Base-Backbone interact. energy: -0.678 local terms energy: -390.146793 where: bonds (distance) C4'-P energy: -98.206 bonds (distance) P-C4' energy: -102.087 flat angles C4'-P-C4' energy: -77.587 flat angles P-C4'-P energy: -50.407 tors. eta vs tors. theta energy: -61.860 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: 1, replica: 2 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1942.429783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.429783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.429783 (E_RNA) where: Base-Base interactions energy: -1361.356 where: short stacking energy: -567.111 Base-Backbone interact. energy: -1.196 local terms energy: -579.877236 where: bonds (distance) C4'-P energy: -111.175 bonds (distance) P-C4' energy: -110.843 flat angles C4'-P-C4' energy: -113.753 flat angles P-C4'-P energy: -82.206 tors. eta vs tors. theta energy: -161.899 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: 2, replica: 8 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1895.900486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.900486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.900486 (E_RNA) where: Base-Base interactions energy: -1327.622 where: short stacking energy: -548.244 Base-Backbone interact. energy: 0.052 local terms energy: -568.330718 where: bonds (distance) C4'-P energy: -86.917 bonds (distance) P-C4' energy: -115.299 flat angles C4'-P-C4' energy: -122.442 flat angles P-C4'-P energy: -86.080 tors. eta vs tors. theta energy: -157.593 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: 4 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1832.248150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.248150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.248150 (E_RNA) where: Base-Base interactions energy: -1277.245 where: short stacking energy: -508.876 Base-Backbone interact. energy: -0.729 local terms energy: -554.274344 where: bonds (distance) C4'-P energy: -98.013 bonds (distance) P-C4' energy: -115.205 flat angles C4'-P-C4' energy: -111.087 flat angles P-C4'-P energy: -76.352 tors. eta vs tors. theta energy: -153.618 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: 4, replica: 1 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1787.062727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.062727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.062727 (E_RNA) where: Base-Base interactions energy: -1222.617 where: short stacking energy: -520.057 Base-Backbone interact. energy: 0.387 local terms energy: -564.832725 where: bonds (distance) C4'-P energy: -96.696 bonds (distance) P-C4' energy: -116.174 flat angles C4'-P-C4' energy: -112.517 flat angles P-C4'-P energy: -81.483 tors. eta vs tors. theta energy: -157.963 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: 5, replica: 3 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1735.765710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.765710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.765710 (E_RNA) where: Base-Base interactions energy: -1183.381 where: short stacking energy: -488.400 Base-Backbone interact. energy: -1.979 local terms energy: -550.405913 where: bonds (distance) C4'-P energy: -97.470 bonds (distance) P-C4' energy: -112.977 flat angles C4'-P-C4' energy: -120.993 flat angles P-C4'-P energy: -79.131 tors. eta vs tors. theta energy: -139.835 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: 6, replica: 5 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1647.742860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.742860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.742860 (E_RNA) where: Base-Base interactions energy: -1167.159 where: short stacking energy: -487.411 Base-Backbone interact. energy: -0.089 local terms energy: -480.494803 where: bonds (distance) C4'-P energy: -94.025 bonds (distance) P-C4' energy: -87.125 flat angles C4'-P-C4' energy: -103.666 flat angles P-C4'-P energy: -71.842 tors. eta vs tors. theta energy: -123.837 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: 9 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1346.879596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.879596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.879596 (E_RNA) where: Base-Base interactions energy: -895.706 where: short stacking energy: -355.545 Base-Backbone interact. energy: 6.224 local terms energy: -457.397183 where: bonds (distance) C4'-P energy: -98.922 bonds (distance) P-C4' energy: -109.159 flat angles C4'-P-C4' energy: -105.021 flat angles P-C4'-P energy: -61.007 tors. eta vs tors. theta energy: -83.289 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: 7 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1169.897445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.897445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.897445 (E_RNA) where: Base-Base interactions energy: -778.454 where: short stacking energy: -346.140 Base-Backbone interact. energy: 3.257 local terms energy: -394.700115 where: bonds (distance) C4'-P energy: -76.683 bonds (distance) P-C4' energy: -96.445 flat angles C4'-P-C4' energy: -91.526 flat angles P-C4'-P energy: -63.806 tors. eta vs tors. theta energy: -66.241 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: 9, replica: 6 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1187.615781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.615781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.615781 (E_RNA) where: Base-Base interactions energy: -791.289 where: short stacking energy: -352.859 Base-Backbone interact. energy: 4.774 local terms energy: -401.100735 where: bonds (distance) C4'-P energy: -71.672 bonds (distance) P-C4' energy: -95.582 flat angles C4'-P-C4' energy: -90.930 flat angles P-C4'-P energy: -68.149 tors. eta vs tors. theta energy: -74.768 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: 10 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -1111.122672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.122672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.122672 (E_RNA) where: Base-Base interactions energy: -709.547 where: short stacking energy: -308.501 Base-Backbone interact. energy: 2.193 local terms energy: -403.768853 where: bonds (distance) C4'-P energy: -85.197 bonds (distance) P-C4' energy: -104.207 flat angles C4'-P-C4' energy: -95.360 flat angles P-C4'-P energy: -62.302 tors. eta vs tors. theta energy: -56.702 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: 2 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1927.110069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.110069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.110069 (E_RNA) where: Base-Base interactions energy: -1343.194 where: short stacking energy: -565.324 Base-Backbone interact. energy: -0.320 local terms energy: -583.595855 where: bonds (distance) C4'-P energy: -104.747 bonds (distance) P-C4' energy: -112.549 flat angles C4'-P-C4' energy: -117.944 flat angles P-C4'-P energy: -91.052 tors. eta vs tors. theta energy: -157.304 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: 8 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1909.666264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.666264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.666264 (E_RNA) where: Base-Base interactions energy: -1348.917 where: short stacking energy: -564.169 Base-Backbone interact. energy: -1.514 local terms energy: -559.235678 where: bonds (distance) C4'-P energy: -100.143 bonds (distance) P-C4' energy: -103.265 flat angles C4'-P-C4' energy: -118.722 flat angles P-C4'-P energy: -79.633 tors. eta vs tors. theta energy: -157.473 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: 3, replica: 4 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1843.016597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.016597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.016597 (E_RNA) where: Base-Base interactions energy: -1288.231 where: short stacking energy: -516.530 Base-Backbone interact. energy: -2.129 local terms energy: -552.656837 where: bonds (distance) C4'-P energy: -92.387 bonds (distance) P-C4' energy: -106.207 flat angles C4'-P-C4' energy: -115.166 flat angles P-C4'-P energy: -80.147 tors. eta vs tors. theta energy: -158.750 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: 4, replica: 1 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1763.382226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.382226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.382226 (E_RNA) where: Base-Base interactions energy: -1238.929 where: short stacking energy: -521.450 Base-Backbone interact. energy: -0.659 local terms energy: -523.794007 where: bonds (distance) C4'-P energy: -87.845 bonds (distance) P-C4' energy: -104.941 flat angles C4'-P-C4' energy: -115.945 flat angles P-C4'-P energy: -70.046 tors. eta vs tors. theta energy: -145.018 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: 3 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1757.977877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.977877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.977877 (E_RNA) where: Base-Base interactions energy: -1221.046 where: short stacking energy: -508.393 Base-Backbone interact. energy: -1.794 local terms energy: -535.138414 where: bonds (distance) C4'-P energy: -88.631 bonds (distance) P-C4' energy: -106.388 flat angles C4'-P-C4' energy: -108.323 flat angles P-C4'-P energy: -80.258 tors. eta vs tors. theta energy: -151.538 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: 6, replica: 5 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1614.631739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.631739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.631739 (E_RNA) where: Base-Base interactions energy: -1136.002 where: short stacking energy: -433.929 Base-Backbone interact. energy: -0.483 local terms energy: -478.146364 where: bonds (distance) C4'-P energy: -88.876 bonds (distance) P-C4' energy: -115.251 flat angles C4'-P-C4' energy: -95.640 flat angles P-C4'-P energy: -63.559 tors. eta vs tors. theta energy: -114.820 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: 9 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1357.958413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.958413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.958413 (E_RNA) where: Base-Base interactions energy: -910.824 where: short stacking energy: -389.803 Base-Backbone interact. energy: -2.378 local terms energy: -444.756068 where: bonds (distance) C4'-P energy: -80.180 bonds (distance) P-C4' energy: -105.971 flat angles C4'-P-C4' energy: -100.844 flat angles P-C4'-P energy: -67.400 tors. eta vs tors. theta energy: -90.361 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: 191 Temperature: 1.250000 Total energy: -1280.303266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.303266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.303266 (E_RNA) where: Base-Base interactions energy: -854.166 where: short stacking energy: -363.541 Base-Backbone interact. energy: -3.472 local terms energy: -422.665050 where: bonds (distance) C4'-P energy: -78.164 bonds (distance) P-C4' energy: -95.567 flat angles C4'-P-C4' energy: -96.197 flat angles P-C4'-P energy: -64.332 tors. eta vs tors. theta energy: -88.406 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: 9, replica: 7 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1149.279998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.279998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.279998 (E_RNA) where: Base-Base interactions energy: -749.630 where: short stacking energy: -329.588 Base-Backbone interact. energy: 3.553 local terms energy: -403.202533 where: bonds (distance) C4'-P energy: -87.645 bonds (distance) P-C4' energy: -99.653 flat angles C4'-P-C4' energy: -96.356 flat angles P-C4'-P energy: -51.979 tors. eta vs tors. theta energy: -67.569 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: 10, replica: 10 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -1109.549151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.549151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.549151 (E_RNA) where: Base-Base interactions energy: -723.836 where: short stacking energy: -309.727 Base-Backbone interact. energy: -0.246 local terms energy: -385.466534 where: bonds (distance) C4'-P energy: -84.137 bonds (distance) P-C4' energy: -112.178 flat angles C4'-P-C4' energy: -88.933 flat angles P-C4'-P energy: -43.849 tors. eta vs tors. theta energy: -56.370 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: 1, replica: 2 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1918.397467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.397467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.397467 (E_RNA) where: Base-Base interactions energy: -1344.736 where: short stacking energy: -559.192 Base-Backbone interact. energy: 1.875 local terms energy: -575.536459 where: bonds (distance) C4'-P energy: -106.844 bonds (distance) P-C4' energy: -111.851 flat angles C4'-P-C4' energy: -113.128 flat angles P-C4'-P energy: -83.076 tors. eta vs tors. theta energy: -160.637 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: 2, replica: 8 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1887.820972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.820972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.820972 (E_RNA) where: Base-Base interactions energy: -1329.422 where: short stacking energy: -556.696 Base-Backbone interact. energy: -0.042 local terms energy: -558.356713 where: bonds (distance) C4'-P energy: -100.880 bonds (distance) P-C4' energy: -105.701 flat angles C4'-P-C4' energy: -108.420 flat angles P-C4'-P energy: -85.777 tors. eta vs tors. theta energy: -157.579 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: 3, replica: 4 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1821.044860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.044860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.044860 (E_RNA) where: Base-Base interactions energy: -1274.474 where: short stacking energy: -517.536 Base-Backbone interact. energy: -0.650 local terms energy: -545.921575 where: bonds (distance) C4'-P energy: -97.684 bonds (distance) P-C4' energy: -104.028 flat angles C4'-P-C4' energy: -111.768 flat angles P-C4'-P energy: -90.583 tors. eta vs tors. theta energy: -141.859 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: 4, replica: 1 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1750.006675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.006675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.006675 (E_RNA) where: Base-Base interactions energy: -1223.462 where: short stacking energy: -502.234 Base-Backbone interact. energy: -1.428 local terms energy: -525.116008 where: bonds (distance) C4'-P energy: -97.297 bonds (distance) P-C4' energy: -93.991 flat angles C4'-P-C4' energy: -110.479 flat angles P-C4'-P energy: -82.360 tors. eta vs tors. theta energy: -140.990 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: 5, replica: 3 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1723.907770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.907770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.907770 (E_RNA) where: Base-Base interactions energy: -1204.493 where: short stacking energy: -498.463 Base-Backbone interact. energy: -0.426 local terms energy: -518.988942 where: bonds (distance) C4'-P energy: -93.173 bonds (distance) P-C4' energy: -115.028 flat angles C4'-P-C4' energy: -110.350 flat angles P-C4'-P energy: -72.393 tors. eta vs tors. theta energy: -128.046 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: 6, replica: 5 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1614.518236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.518236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.518236 (E_RNA) where: Base-Base interactions energy: -1109.511 where: short stacking energy: -471.416 Base-Backbone interact. energy: 0.184 local terms energy: -505.191702 where: bonds (distance) C4'-P energy: -98.226 bonds (distance) P-C4' energy: -106.890 flat angles C4'-P-C4' energy: -102.047 flat angles P-C4'-P energy: -70.510 tors. eta vs tors. theta energy: -127.520 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: 7, replica: 9 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1368.869580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.869580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.869580 (E_RNA) where: Base-Base interactions energy: -940.384 where: short stacking energy: -402.919 Base-Backbone interact. energy: 3.189 local terms energy: -431.674900 where: bonds (distance) C4'-P energy: -77.839 bonds (distance) P-C4' energy: -93.923 flat angles C4'-P-C4' energy: -98.671 flat angles P-C4'-P energy: -70.570 tors. eta vs tors. theta energy: -90.672 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: 8, replica: 6 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1283.270073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.270073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.270073 (E_RNA) where: Base-Base interactions energy: -838.905 where: short stacking energy: -370.409 Base-Backbone interact. energy: 2.678 local terms energy: -447.043335 where: bonds (distance) C4'-P energy: -87.412 bonds (distance) P-C4' energy: -99.120 flat angles C4'-P-C4' energy: -109.031 flat angles P-C4'-P energy: -69.522 tors. eta vs tors. theta energy: -81.958 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: 9, replica: 10 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1165.741973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.741973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.741973 (E_RNA) where: Base-Base interactions energy: -747.162 where: short stacking energy: -345.817 Base-Backbone interact. energy: 1.552 local terms energy: -420.131806 where: bonds (distance) C4'-P energy: -95.404 bonds (distance) P-C4' energy: -105.737 flat angles C4'-P-C4' energy: -83.320 flat angles P-C4'-P energy: -64.858 tors. eta vs tors. theta energy: -70.813 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: 10, replica: 7 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -1115.070277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.070277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.070277 (E_RNA) where: Base-Base interactions energy: -720.727 where: short stacking energy: -317.425 Base-Backbone interact. energy: -0.442 local terms energy: -393.900809 where: bonds (distance) C4'-P energy: -86.420 bonds (distance) P-C4' energy: -96.101 flat angles C4'-P-C4' energy: -99.468 flat angles P-C4'-P energy: -42.943 tors. eta vs tors. theta energy: -68.968 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: 1, replica: 2 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1924.176516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.176516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.176516 (E_RNA) where: Base-Base interactions energy: -1335.194 where: short stacking energy: -549.683 Base-Backbone interact. energy: -0.402 local terms energy: -588.580546 where: bonds (distance) C4'-P energy: -115.781 bonds (distance) P-C4' energy: -117.583 flat angles C4'-P-C4' energy: -116.658 flat angles P-C4'-P energy: -77.839 tors. eta vs tors. theta energy: -160.719 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: 2, replica: 8 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1885.300283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.300283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.300283 (E_RNA) where: Base-Base interactions energy: -1333.764 where: short stacking energy: -550.340 Base-Backbone interact. energy: 3.765 local terms energy: -555.300892 where: bonds (distance) C4'-P energy: -85.466 bonds (distance) P-C4' energy: -110.720 flat angles C4'-P-C4' energy: -113.174 flat angles P-C4'-P energy: -80.384 tors. eta vs tors. theta energy: -165.558 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: 3, replica: 4 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1823.308071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.308071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.308071 (E_RNA) where: Base-Base interactions energy: -1287.470 where: short stacking energy: -520.899 Base-Backbone interact. energy: 0.884 local terms energy: -536.721733 where: bonds (distance) C4'-P energy: -92.959 bonds (distance) P-C4' energy: -107.452 flat angles C4'-P-C4' energy: -110.459 flat angles P-C4'-P energy: -77.781 tors. eta vs tors. theta energy: -148.070 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: 4, replica: 3 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1775.115599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.115599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.115599 (E_RNA) where: Base-Base interactions energy: -1233.312 where: short stacking energy: -494.923 Base-Backbone interact. energy: 0.805 local terms energy: -542.608775 where: bonds (distance) C4'-P energy: -99.247 bonds (distance) P-C4' energy: -102.664 flat angles C4'-P-C4' energy: -119.435 flat angles P-C4'-P energy: -81.929 tors. eta vs tors. theta energy: -139.334 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: 5, replica: 1 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1742.328719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.328719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.328719 (E_RNA) where: Base-Base interactions energy: -1232.174 where: short stacking energy: -542.024 Base-Backbone interact. energy: -1.227 local terms energy: -508.927594 where: bonds (distance) C4'-P energy: -87.638 bonds (distance) P-C4' energy: -94.066 flat angles C4'-P-C4' energy: -107.437 flat angles P-C4'-P energy: -74.505 tors. eta vs tors. theta energy: -145.281 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: 6, replica: 5 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1589.609642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.609642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.609642 (E_RNA) where: Base-Base interactions energy: -1086.044 where: short stacking energy: -449.374 Base-Backbone interact. energy: -0.838 local terms energy: -502.727622 where: bonds (distance) C4'-P energy: -98.053 bonds (distance) P-C4' energy: -114.174 flat angles C4'-P-C4' energy: -107.150 flat angles P-C4'-P energy: -65.322 tors. eta vs tors. theta energy: -118.029 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: 9 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1352.076271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.076271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.076271 (E_RNA) where: Base-Base interactions energy: -906.481 where: short stacking energy: -382.038 Base-Backbone interact. energy: -1.906 local terms energy: -443.688806 where: bonds (distance) C4'-P energy: -89.930 bonds (distance) P-C4' energy: -113.012 flat angles C4'-P-C4' energy: -97.092 flat angles P-C4'-P energy: -58.990 tors. eta vs tors. theta energy: -84.664 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: 8, replica: 6 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1308.300019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.300019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.300019 (E_RNA) where: Base-Base interactions energy: -862.132 where: short stacking energy: -394.708 Base-Backbone interact. energy: -0.818 local terms energy: -445.350329 where: bonds (distance) C4'-P energy: -91.029 bonds (distance) P-C4' energy: -91.917 flat angles C4'-P-C4' energy: -107.001 flat angles P-C4'-P energy: -64.674 tors. eta vs tors. theta energy: -90.729 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: 9, replica: 10 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1125.673274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.673274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.673274 (E_RNA) where: Base-Base interactions energy: -718.322 where: short stacking energy: -304.619 Base-Backbone interact. energy: 1.437 local terms energy: -408.788481 where: bonds (distance) C4'-P energy: -88.170 bonds (distance) P-C4' energy: -101.407 flat angles C4'-P-C4' energy: -100.319 flat angles P-C4'-P energy: -62.165 tors. eta vs tors. theta energy: -56.727 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: 10, replica: 7 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -1098.663633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.663633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.663633 (E_RNA) where: Base-Base interactions energy: -695.434 where: short stacking energy: -306.541 Base-Backbone interact. energy: 1.525 local terms energy: -404.754883 where: bonds (distance) C4'-P energy: -80.093 bonds (distance) P-C4' energy: -106.698 flat angles C4'-P-C4' energy: -93.018 flat angles P-C4'-P energy: -64.277 tors. eta vs tors. theta energy: -60.669 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: 1, replica: 8 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1920.258742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.258742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.258742 (E_RNA) where: Base-Base interactions energy: -1349.987 where: short stacking energy: -560.433 Base-Backbone interact. energy: -0.641 local terms energy: -569.630413 where: bonds (distance) C4'-P energy: -106.095 bonds (distance) P-C4' energy: -107.069 flat angles C4'-P-C4' energy: -117.094 flat angles P-C4'-P energy: -77.339 tors. eta vs tors. theta energy: -162.033 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: 2, replica: 2 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1887.866151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.866151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.866151 (E_RNA) where: Base-Base interactions energy: -1331.671 where: short stacking energy: -537.255 Base-Backbone interact. energy: 0.712 local terms energy: -556.906553 where: bonds (distance) C4'-P energy: -97.163 bonds (distance) P-C4' energy: -108.931 flat angles C4'-P-C4' energy: -120.280 flat angles P-C4'-P energy: -77.146 tors. eta vs tors. theta energy: -153.387 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: 3, replica: 4 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1835.885865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.885865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.885865 (E_RNA) where: Base-Base interactions energy: -1285.488 where: short stacking energy: -518.952 Base-Backbone interact. energy: 1.650 local terms energy: -552.048174 where: bonds (distance) C4'-P energy: -97.242 bonds (distance) P-C4' energy: -111.030 flat angles C4'-P-C4' energy: -116.940 flat angles P-C4'-P energy: -84.758 tors. eta vs tors. theta energy: -142.078 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: 3 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1783.251687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.251687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.251687 (E_RNA) where: Base-Base interactions energy: -1276.770 where: short stacking energy: -530.741 Base-Backbone interact. energy: -1.120 local terms energy: -505.361611 where: bonds (distance) C4'-P energy: -87.517 bonds (distance) P-C4' energy: -102.345 flat angles C4'-P-C4' energy: -99.230 flat angles P-C4'-P energy: -67.068 tors. eta vs tors. theta energy: -149.201 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: 5, replica: 1 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1755.413011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.413011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.413011 (E_RNA) where: Base-Base interactions energy: -1232.592 where: short stacking energy: -507.924 Base-Backbone interact. energy: -2.420 local terms energy: -520.401228 where: bonds (distance) C4'-P energy: -87.748 bonds (distance) P-C4' energy: -104.752 flat angles C4'-P-C4' energy: -109.176 flat angles P-C4'-P energy: -69.080 tors. eta vs tors. theta energy: -149.645 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: 6, replica: 5 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1606.691955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.691955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.691955 (E_RNA) where: Base-Base interactions energy: -1116.784 where: short stacking energy: -457.253 Base-Backbone interact. energy: 4.470 local terms energy: -494.377228 where: bonds (distance) C4'-P energy: -98.747 bonds (distance) P-C4' energy: -92.130 flat angles C4'-P-C4' energy: -108.910 flat angles P-C4'-P energy: -70.545 tors. eta vs tors. theta energy: -124.045 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: 7, replica: 9 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1403.268075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.268075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.268075 (E_RNA) where: Base-Base interactions energy: -945.260 where: short stacking energy: -396.271 Base-Backbone interact. energy: -2.591 local terms energy: -455.416401 where: bonds (distance) C4'-P energy: -95.933 bonds (distance) P-C4' energy: -103.784 flat angles C4'-P-C4' energy: -90.463 flat angles P-C4'-P energy: -69.162 tors. eta vs tors. theta energy: -96.075 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: 8, replica: 6 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1310.327230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.327230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.327230 (E_RNA) where: Base-Base interactions energy: -872.996 where: short stacking energy: -376.465 Base-Backbone interact. energy: 8.426 local terms energy: -445.756853 where: bonds (distance) C4'-P energy: -85.474 bonds (distance) P-C4' energy: -98.185 flat angles C4'-P-C4' energy: -110.364 flat angles P-C4'-P energy: -62.345 tors. eta vs tors. theta energy: -89.389 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: 9, replica: 10 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1164.744766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.744766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.744766 (E_RNA) where: Base-Base interactions energy: -736.551 where: short stacking energy: -339.242 Base-Backbone interact. energy: 0.292 local terms energy: -428.485485 where: bonds (distance) C4'-P energy: -80.262 bonds (distance) P-C4' energy: -116.748 flat angles C4'-P-C4' energy: -91.329 flat angles P-C4'-P energy: -64.805 tors. eta vs tors. theta energy: -75.342 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: 10, replica: 7 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -1090.327412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.327412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.327412 (E_RNA) where: Base-Base interactions energy: -691.391 where: short stacking energy: -301.973 Base-Backbone interact. energy: -1.185 local terms energy: -397.750922 where: bonds (distance) C4'-P energy: -70.409 bonds (distance) P-C4' energy: -114.198 flat angles C4'-P-C4' energy: -85.179 flat angles P-C4'-P energy: -65.732 tors. eta vs tors. theta energy: -62.233 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: 8 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1925.415465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.415465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.415465 (E_RNA) where: Base-Base interactions energy: -1347.822 where: short stacking energy: -554.277 Base-Backbone interact. energy: -0.087 local terms energy: -577.506104 where: bonds (distance) C4'-P energy: -100.621 bonds (distance) P-C4' energy: -117.693 flat angles C4'-P-C4' energy: -116.184 flat angles P-C4'-P energy: -87.181 tors. eta vs tors. theta energy: -155.826 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: 195 Temperature: 0.950000 Total energy: -1901.643838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.643838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.643838 (E_RNA) where: Base-Base interactions energy: -1340.024 where: short stacking energy: -554.435 Base-Backbone interact. energy: -0.397 local terms energy: -561.223103 where: bonds (distance) C4'-P energy: -91.437 bonds (distance) P-C4' energy: -114.770 flat angles C4'-P-C4' energy: -115.433 flat angles P-C4'-P energy: -79.883 tors. eta vs tors. theta energy: -159.699 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: 4 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1847.083040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.083040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.083040 (E_RNA) where: Base-Base interactions energy: -1307.580 where: short stacking energy: -531.770 Base-Backbone interact. energy: 5.229 local terms energy: -544.731788 where: bonds (distance) C4'-P energy: -91.154 bonds (distance) P-C4' energy: -110.794 flat angles C4'-P-C4' energy: -106.748 flat angles P-C4'-P energy: -87.965 tors. eta vs tors. theta energy: -148.070 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: 4, replica: 1 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1770.335426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.335426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.335426 (E_RNA) where: Base-Base interactions energy: -1252.805 where: short stacking energy: -517.575 Base-Backbone interact. energy: -0.975 local terms energy: -516.555797 where: bonds (distance) C4'-P energy: -93.860 bonds (distance) P-C4' energy: -104.616 flat angles C4'-P-C4' energy: -105.391 flat angles P-C4'-P energy: -81.468 tors. eta vs tors. theta energy: -131.221 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: 3 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1756.821410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.821410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.821410 (E_RNA) where: Base-Base interactions energy: -1250.007 where: short stacking energy: -513.594 Base-Backbone interact. energy: -0.176 local terms energy: -506.638496 where: bonds (distance) C4'-P energy: -81.116 bonds (distance) P-C4' energy: -106.917 flat angles C4'-P-C4' energy: -106.134 flat angles P-C4'-P energy: -71.837 tors. eta vs tors. theta energy: -140.634 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: 6, replica: 5 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1582.807816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.807816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.807816 (E_RNA) where: Base-Base interactions energy: -1086.256 where: short stacking energy: -462.171 Base-Backbone interact. energy: -1.418 local terms energy: -495.133967 where: bonds (distance) C4'-P energy: -98.470 bonds (distance) P-C4' energy: -101.575 flat angles C4'-P-C4' energy: -109.356 flat angles P-C4'-P energy: -65.518 tors. eta vs tors. theta energy: -120.215 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: 7, replica: 9 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1410.783400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.783400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.783400 (E_RNA) where: Base-Base interactions energy: -956.225 where: short stacking energy: -404.604 Base-Backbone interact. energy: 3.815 local terms energy: -458.372675 where: bonds (distance) C4'-P energy: -83.303 bonds (distance) P-C4' energy: -110.706 flat angles C4'-P-C4' energy: -90.789 flat angles P-C4'-P energy: -70.218 tors. eta vs tors. theta energy: -103.356 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: 6 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1260.062258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.062258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.062258 (E_RNA) where: Base-Base interactions energy: -853.908 where: short stacking energy: -369.057 Base-Backbone interact. energy: -2.080 local terms energy: -404.073976 where: bonds (distance) C4'-P energy: -78.267 bonds (distance) P-C4' energy: -89.930 flat angles C4'-P-C4' energy: -93.042 flat angles P-C4'-P energy: -71.171 tors. eta vs tors. theta energy: -71.664 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: 9, replica: 10 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1134.304626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.304626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.304626 (E_RNA) where: Base-Base interactions energy: -730.888 where: short stacking energy: -304.935 Base-Backbone interact. energy: 7.183 local terms energy: -410.599758 where: bonds (distance) C4'-P energy: -81.601 bonds (distance) P-C4' energy: -106.718 flat angles C4'-P-C4' energy: -106.300 flat angles P-C4'-P energy: -65.908 tors. eta vs tors. theta energy: -50.073 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: 10, replica: 7 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -1111.456451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.456451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.456451 (E_RNA) where: Base-Base interactions energy: -741.720 where: short stacking energy: -326.465 Base-Backbone interact. energy: 11.274 local terms energy: -381.011294 where: bonds (distance) C4'-P energy: -79.984 bonds (distance) P-C4' energy: -85.610 flat angles C4'-P-C4' energy: -95.143 flat angles P-C4'-P energy: -57.595 tors. eta vs tors. theta energy: -62.679 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: 8 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1934.959223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.959223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.959223 (E_RNA) where: Base-Base interactions energy: -1345.268 where: short stacking energy: -560.114 Base-Backbone interact. energy: -1.201 local terms energy: -588.491068 where: bonds (distance) C4'-P energy: -107.665 bonds (distance) P-C4' energy: -113.976 flat angles C4'-P-C4' energy: -127.312 flat angles P-C4'-P energy: -75.320 tors. eta vs tors. theta energy: -164.218 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: 2, replica: 2 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1879.358014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.358014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.358014 (E_RNA) where: Base-Base interactions energy: -1309.371 where: short stacking energy: -539.797 Base-Backbone interact. energy: 2.877 local terms energy: -572.863669 where: bonds (distance) C4'-P energy: -99.758 bonds (distance) P-C4' energy: -110.612 flat angles C4'-P-C4' energy: -123.727 flat angles P-C4'-P energy: -80.566 tors. eta vs tors. theta energy: -158.200 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: 3, replica: 4 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1823.881952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.881952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.881952 (E_RNA) where: Base-Base interactions energy: -1296.327 where: short stacking energy: -524.482 Base-Backbone interact. energy: -0.640 local terms energy: -526.914400 where: bonds (distance) C4'-P energy: -97.504 bonds (distance) P-C4' energy: -106.546 flat angles C4'-P-C4' energy: -104.317 flat angles P-C4'-P energy: -73.641 tors. eta vs tors. theta energy: -144.906 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: 4, replica: 1 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1794.621785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.621785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.621785 (E_RNA) where: Base-Base interactions energy: -1247.502 where: short stacking energy: -517.980 Base-Backbone interact. energy: -1.320 local terms energy: -545.799980 where: bonds (distance) C4'-P energy: -96.249 bonds (distance) P-C4' energy: -109.609 flat angles C4'-P-C4' energy: -112.840 flat angles P-C4'-P energy: -79.663 tors. eta vs tors. theta energy: -147.438 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: 3 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1748.275736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.275736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.275736 (E_RNA) where: Base-Base interactions energy: -1234.311 where: short stacking energy: -519.615 Base-Backbone interact. energy: -0.601 local terms energy: -513.364045 where: bonds (distance) C4'-P energy: -80.026 bonds (distance) P-C4' energy: -102.746 flat angles C4'-P-C4' energy: -105.859 flat angles P-C4'-P energy: -72.606 tors. eta vs tors. theta energy: -152.128 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: 5 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1630.572282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.572282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.572282 (E_RNA) where: Base-Base interactions energy: -1144.782 where: short stacking energy: -449.929 Base-Backbone interact. energy: -0.597 local terms energy: -485.194157 where: bonds (distance) C4'-P energy: -84.190 bonds (distance) P-C4' energy: -91.530 flat angles C4'-P-C4' energy: -111.511 flat angles P-C4'-P energy: -72.824 tors. eta vs tors. theta energy: -125.139 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: 9 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1393.332042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.332042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.332042 (E_RNA) where: Base-Base interactions energy: -935.416 where: short stacking energy: -397.469 Base-Backbone interact. energy: 3.200 local terms energy: -461.115966 where: bonds (distance) C4'-P energy: -87.145 bonds (distance) P-C4' energy: -110.193 flat angles C4'-P-C4' energy: -97.785 flat angles P-C4'-P energy: -70.114 tors. eta vs tors. theta energy: -95.880 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: 8, replica: 6 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1291.162944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.162944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.162944 (E_RNA) where: Base-Base interactions energy: -871.268 where: short stacking energy: -391.584 Base-Backbone interact. energy: -2.914 local terms energy: -416.981103 where: bonds (distance) C4'-P energy: -88.195 bonds (distance) P-C4' energy: -89.289 flat angles C4'-P-C4' energy: -96.111 flat angles P-C4'-P energy: -47.959 tors. eta vs tors. theta energy: -95.427 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: 9, replica: 7 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1125.541655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.541655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.541655 (E_RNA) where: Base-Base interactions energy: -711.739 where: short stacking energy: -317.608 Base-Backbone interact. energy: 0.036 local terms energy: -413.839080 where: bonds (distance) C4'-P energy: -97.368 bonds (distance) P-C4' energy: -105.385 flat angles C4'-P-C4' energy: -92.415 flat angles P-C4'-P energy: -49.531 tors. eta vs tors. theta energy: -69.140 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: 10, replica: 10 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -1090.354106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.354106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.354106 (E_RNA) where: Base-Base interactions energy: -700.181 where: short stacking energy: -302.714 Base-Backbone interact. energy: 3.062 local terms energy: -393.235099 where: bonds (distance) C4'-P energy: -75.724 bonds (distance) P-C4' energy: -102.678 flat angles C4'-P-C4' energy: -99.649 flat angles P-C4'-P energy: -58.824 tors. eta vs tors. theta energy: -56.361 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: 1, replica: 8 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1920.213054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.213054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.213054 (E_RNA) where: Base-Base interactions energy: -1361.141 where: short stacking energy: -564.575 Base-Backbone interact. energy: -1.076 local terms energy: -557.995596 where: bonds (distance) C4'-P energy: -95.071 bonds (distance) P-C4' energy: -104.080 flat angles C4'-P-C4' energy: -122.722 flat angles P-C4'-P energy: -78.796 tors. eta vs tors. theta energy: -157.326 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: 2 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1865.736472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.736472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.736472 (E_RNA) where: Base-Base interactions energy: -1293.145 where: short stacking energy: -538.967 Base-Backbone interact. energy: -2.514 local terms energy: -570.077589 where: bonds (distance) C4'-P energy: -102.330 bonds (distance) P-C4' energy: -122.246 flat angles C4'-P-C4' energy: -116.679 flat angles P-C4'-P energy: -72.423 tors. eta vs tors. theta energy: -156.399 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: 3, replica: 4 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1855.632918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.632918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.632918 (E_RNA) where: Base-Base interactions energy: -1281.133 where: short stacking energy: -523.671 Base-Backbone interact. energy: -1.846 local terms energy: -572.654197 where: bonds (distance) C4'-P energy: -107.975 bonds (distance) P-C4' energy: -118.028 flat angles C4'-P-C4' energy: -111.650 flat angles P-C4'-P energy: -76.673 tors. eta vs tors. theta energy: -158.328 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: 3 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1797.443112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.443112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.443112 (E_RNA) where: Base-Base interactions energy: -1272.923 where: short stacking energy: -519.824 Base-Backbone interact. energy: 0.844 local terms energy: -525.364871 where: bonds (distance) C4'-P energy: -85.834 bonds (distance) P-C4' energy: -106.282 flat angles C4'-P-C4' energy: -114.038 flat angles P-C4'-P energy: -78.594 tors. eta vs tors. theta energy: -140.617 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: 1 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1770.158524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.158524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.158524 (E_RNA) where: Base-Base interactions energy: -1260.174 where: short stacking energy: -507.716 Base-Backbone interact. energy: 3.046 local terms energy: -513.030891 where: bonds (distance) C4'-P energy: -88.851 bonds (distance) P-C4' energy: -94.228 flat angles C4'-P-C4' energy: -107.717 flat angles P-C4'-P energy: -82.259 tors. eta vs tors. theta energy: -139.976 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: 6, replica: 5 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1610.163298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.163298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.163298 (E_RNA) where: Base-Base interactions energy: -1127.352 where: short stacking energy: -468.252 Base-Backbone interact. energy: 3.486 local terms energy: -486.297433 where: bonds (distance) C4'-P energy: -91.954 bonds (distance) P-C4' energy: -105.307 flat angles C4'-P-C4' energy: -104.118 flat angles P-C4'-P energy: -62.147 tors. eta vs tors. theta energy: -122.772 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: 7, replica: 9 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1395.085708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.085708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.085708 (E_RNA) where: Base-Base interactions energy: -946.414 where: short stacking energy: -412.877 Base-Backbone interact. energy: -0.357 local terms energy: -448.314213 where: bonds (distance) C4'-P energy: -90.145 bonds (distance) P-C4' energy: -105.477 flat angles C4'-P-C4' energy: -98.690 flat angles P-C4'-P energy: -64.701 tors. eta vs tors. theta energy: -89.302 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: 6 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1270.804662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.804662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.804662 (E_RNA) where: Base-Base interactions energy: -831.977 where: short stacking energy: -356.964 Base-Backbone interact. energy: -2.394 local terms energy: -436.432774 where: bonds (distance) C4'-P energy: -88.104 bonds (distance) P-C4' energy: -94.316 flat angles C4'-P-C4' energy: -105.274 flat angles P-C4'-P energy: -70.380 tors. eta vs tors. theta energy: -78.359 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: 7 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1154.641023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.641023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.641023 (E_RNA) where: Base-Base interactions energy: -749.496 where: short stacking energy: -346.752 Base-Backbone interact. energy: 2.462 local terms energy: -407.607704 where: bonds (distance) C4'-P energy: -70.089 bonds (distance) P-C4' energy: -99.203 flat angles C4'-P-C4' energy: -102.350 flat angles P-C4'-P energy: -63.346 tors. eta vs tors. theta energy: -72.620 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: 10, replica: 10 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -1127.120444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.120444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.120444 (E_RNA) where: Base-Base interactions energy: -751.735 where: short stacking energy: -330.224 Base-Backbone interact. energy: 3.147 local terms energy: -378.533379 where: bonds (distance) C4'-P energy: -80.813 bonds (distance) P-C4' energy: -91.990 flat angles C4'-P-C4' energy: -82.215 flat angles P-C4'-P energy: -64.890 tors. eta vs tors. theta energy: -58.625 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: 8 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1912.564663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.564663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.564663 (E_RNA) where: Base-Base interactions energy: -1363.109 where: short stacking energy: -567.876 Base-Backbone interact. energy: 4.084 local terms energy: -553.539601 where: bonds (distance) C4'-P energy: -99.513 bonds (distance) P-C4' energy: -106.588 flat angles C4'-P-C4' energy: -115.357 flat angles P-C4'-P energy: -74.155 tors. eta vs tors. theta energy: -157.927 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: 2, replica: 2 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1871.186085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.186085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.186085 (E_RNA) where: Base-Base interactions energy: -1318.879 where: short stacking energy: -536.678 Base-Backbone interact. energy: -0.935 local terms energy: -551.372089 where: bonds (distance) C4'-P energy: -100.121 bonds (distance) P-C4' energy: -112.629 flat angles C4'-P-C4' energy: -110.569 flat angles P-C4'-P energy: -74.624 tors. eta vs tors. theta energy: -153.430 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: 3, replica: 4 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1835.457223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.457223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.457223 (E_RNA) where: Base-Base interactions energy: -1289.879 where: short stacking energy: -539.395 Base-Backbone interact. energy: -0.581 local terms energy: -544.997866 where: bonds (distance) C4'-P energy: -93.784 bonds (distance) P-C4' energy: -113.703 flat angles C4'-P-C4' energy: -109.082 flat angles P-C4'-P energy: -78.339 tors. eta vs tors. theta energy: -150.090 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: 4, replica: 3 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1790.942890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.942890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.942890 (E_RNA) where: Base-Base interactions energy: -1263.620 where: short stacking energy: -517.702 Base-Backbone interact. energy: 1.850 local terms energy: -529.173777 where: bonds (distance) C4'-P energy: -82.919 bonds (distance) P-C4' energy: -112.888 flat angles C4'-P-C4' energy: -110.672 flat angles P-C4'-P energy: -70.698 tors. eta vs tors. theta energy: -151.998 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: 5, replica: 1 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1787.927206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.927206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.927206 (E_RNA) where: Base-Base interactions energy: -1249.314 where: short stacking energy: -518.363 Base-Backbone interact. energy: -0.132 local terms energy: -538.481325 where: bonds (distance) C4'-P energy: -94.487 bonds (distance) P-C4' energy: -113.540 flat angles C4'-P-C4' energy: -111.568 flat angles P-C4'-P energy: -77.303 tors. eta vs tors. theta energy: -141.583 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: 6, replica: 5 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1582.229357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.229357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.229357 (E_RNA) where: Base-Base interactions energy: -1109.083 where: short stacking energy: -462.414 Base-Backbone interact. energy: 1.339 local terms energy: -474.485391 where: bonds (distance) C4'-P energy: -91.333 bonds (distance) P-C4' energy: -90.922 flat angles C4'-P-C4' energy: -93.818 flat angles P-C4'-P energy: -68.256 tors. eta vs tors. theta energy: -130.156 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: 9 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1381.879187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.879187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.879187 (E_RNA) where: Base-Base interactions energy: -936.962 where: short stacking energy: -387.547 Base-Backbone interact. energy: 1.412 local terms energy: -446.329202 where: bonds (distance) C4'-P energy: -75.868 bonds (distance) P-C4' energy: -110.279 flat angles C4'-P-C4' energy: -97.734 flat angles P-C4'-P energy: -70.132 tors. eta vs tors. theta energy: -92.316 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: 8, replica: 6 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1288.825839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.825839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.825839 (E_RNA) where: Base-Base interactions energy: -853.180 where: short stacking energy: -365.271 Base-Backbone interact. energy: -2.192 local terms energy: -433.453373 where: bonds (distance) C4'-P energy: -87.472 bonds (distance) P-C4' energy: -102.698 flat angles C4'-P-C4' energy: -92.525 flat angles P-C4'-P energy: -64.000 tors. eta vs tors. theta energy: -86.759 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: 9, replica: 7 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1156.050194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.050194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.050194 (E_RNA) where: Base-Base interactions energy: -752.916 where: short stacking energy: -336.345 Base-Backbone interact. energy: 11.951 local terms energy: -415.084965 where: bonds (distance) C4'-P energy: -93.401 bonds (distance) P-C4' energy: -95.015 flat angles C4'-P-C4' energy: -86.260 flat angles P-C4'-P energy: -76.221 tors. eta vs tors. theta energy: -64.187 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: 10, replica: 10 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -1112.072066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.072066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.072066 (E_RNA) where: Base-Base interactions energy: -714.350 where: short stacking energy: -322.247 Base-Backbone interact. energy: 2.266 local terms energy: -399.988539 where: bonds (distance) C4'-P energy: -91.590 bonds (distance) P-C4' energy: -90.093 flat angles C4'-P-C4' energy: -88.063 flat angles P-C4'-P energy: -57.352 tors. eta vs tors. theta energy: -72.890 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: 8 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1927.317540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.317540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.317540 (E_RNA) where: Base-Base interactions energy: -1362.642 where: short stacking energy: -558.399 Base-Backbone interact. energy: -3.181 local terms energy: -561.494253 where: bonds (distance) C4'-P energy: -97.829 bonds (distance) P-C4' energy: -107.107 flat angles C4'-P-C4' energy: -121.424 flat angles P-C4'-P energy: -71.752 tors. eta vs tors. theta energy: -163.383 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: 4 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1847.587768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.587768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.587768 (E_RNA) where: Base-Base interactions energy: -1287.803 where: short stacking energy: -528.844 Base-Backbone interact. energy: 3.535 local terms energy: -563.319918 where: bonds (distance) C4'-P energy: -95.636 bonds (distance) P-C4' energy: -108.657 flat angles C4'-P-C4' energy: -123.336 flat angles P-C4'-P energy: -80.184 tors. eta vs tors. theta energy: -155.506 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: 3, replica: 2 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1866.476673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.476673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.476673 (E_RNA) where: Base-Base interactions energy: -1310.166 where: short stacking energy: -538.347 Base-Backbone interact. energy: 0.651 local terms energy: -556.962212 where: bonds (distance) C4'-P energy: -102.267 bonds (distance) P-C4' energy: -109.319 flat angles C4'-P-C4' energy: -112.853 flat angles P-C4'-P energy: -76.134 tors. eta vs tors. theta energy: -156.389 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: 4, replica: 3 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1830.830195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.830195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.830195 (E_RNA) where: Base-Base interactions energy: -1284.490 where: short stacking energy: -552.106 Base-Backbone interact. energy: -1.314 local terms energy: -545.025512 where: bonds (distance) C4'-P energy: -94.384 bonds (distance) P-C4' energy: -104.234 flat angles C4'-P-C4' energy: -108.731 flat angles P-C4'-P energy: -78.458 tors. eta vs tors. theta energy: -159.219 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: 5, replica: 1 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1751.919559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.919559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.919559 (E_RNA) where: Base-Base interactions energy: -1220.249 where: short stacking energy: -526.744 Base-Backbone interact. energy: -1.807 local terms energy: -529.864200 where: bonds (distance) C4'-P energy: -95.290 bonds (distance) P-C4' energy: -107.724 flat angles C4'-P-C4' energy: -115.992 flat angles P-C4'-P energy: -64.894 tors. eta vs tors. theta energy: -145.965 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: 5 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1592.504167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.504167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.504167 (E_RNA) where: Base-Base interactions energy: -1097.012 where: short stacking energy: -439.217 Base-Backbone interact. energy: 0.023 local terms energy: -495.515410 where: bonds (distance) C4'-P energy: -93.863 bonds (distance) P-C4' energy: -106.257 flat angles C4'-P-C4' energy: -102.114 flat angles P-C4'-P energy: -75.800 tors. eta vs tors. theta energy: -117.482 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: 7, replica: 9 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1392.076894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.076894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.076894 (E_RNA) where: Base-Base interactions energy: -930.882 where: short stacking energy: -415.358 Base-Backbone interact. energy: 0.402 local terms energy: -461.596830 where: bonds (distance) C4'-P energy: -90.186 bonds (distance) P-C4' energy: -101.105 flat angles C4'-P-C4' energy: -103.920 flat angles P-C4'-P energy: -64.516 tors. eta vs tors. theta energy: -101.870 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: 6 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1266.962984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.962984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.962984 (E_RNA) where: Base-Base interactions energy: -840.516 where: short stacking energy: -360.753 Base-Backbone interact. energy: 0.720 local terms energy: -427.167572 where: bonds (distance) C4'-P energy: -77.134 bonds (distance) P-C4' energy: -108.866 flat angles C4'-P-C4' energy: -102.990 flat angles P-C4'-P energy: -59.346 tors. eta vs tors. theta energy: -78.832 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: 9, replica: 7 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1171.738545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.738545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.738545 (E_RNA) where: Base-Base interactions energy: -746.814 where: short stacking energy: -338.451 Base-Backbone interact. energy: -0.525 local terms energy: -424.399631 where: bonds (distance) C4'-P energy: -82.880 bonds (distance) P-C4' energy: -98.414 flat angles C4'-P-C4' energy: -103.675 flat angles P-C4'-P energy: -57.559 tors. eta vs tors. theta energy: -81.872 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: 10, replica: 10 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -1117.829068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.829068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.829068 (E_RNA) where: Base-Base interactions energy: -723.534 where: short stacking energy: -311.826 Base-Backbone interact. energy: 5.856 local terms energy: -400.151465 where: bonds (distance) C4'-P energy: -80.855 bonds (distance) P-C4' energy: -96.319 flat angles C4'-P-C4' energy: -93.198 flat angles P-C4'-P energy: -67.483 tors. eta vs tors. theta energy: -62.297 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: 8 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1941.744138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.744138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.744138 (E_RNA) where: Base-Base interactions energy: -1358.608 where: short stacking energy: -566.585 Base-Backbone interact. energy: -3.586 local terms energy: -579.550297 where: bonds (distance) C4'-P energy: -103.771 bonds (distance) P-C4' energy: -108.835 flat angles C4'-P-C4' energy: -121.398 flat angles P-C4'-P energy: -86.806 tors. eta vs tors. theta energy: -158.740 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: 2, replica: 4 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1852.715522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.715522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.715522 (E_RNA) where: Base-Base interactions energy: -1296.566 where: short stacking energy: -529.747 Base-Backbone interact. energy: -1.716 local terms energy: -554.433547 where: bonds (distance) C4'-P energy: -102.249 bonds (distance) P-C4' energy: -105.571 flat angles C4'-P-C4' energy: -118.776 flat angles P-C4'-P energy: -79.042 tors. eta vs tors. theta energy: -148.796 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: 3, replica: 2 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1861.455778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.455778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.455778 (E_RNA) where: Base-Base interactions energy: -1292.586 where: short stacking energy: -519.790 Base-Backbone interact. energy: -3.134 local terms energy: -565.736239 where: bonds (distance) C4'-P energy: -106.392 bonds (distance) P-C4' energy: -107.364 flat angles C4'-P-C4' energy: -114.762 flat angles P-C4'-P energy: -81.015 tors. eta vs tors. theta energy: -156.203 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: 3 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1822.240603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.240603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.240603 (E_RNA) where: Base-Base interactions energy: -1271.446 where: short stacking energy: -543.331 Base-Backbone interact. energy: -4.584 local terms energy: -546.210101 where: bonds (distance) C4'-P energy: -95.134 bonds (distance) P-C4' energy: -105.100 flat angles C4'-P-C4' energy: -108.133 flat angles P-C4'-P energy: -80.104 tors. eta vs tors. theta energy: -157.739 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: 5, replica: 1 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1738.140394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.140394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.140394 (E_RNA) where: Base-Base interactions energy: -1214.177 where: short stacking energy: -492.723 Base-Backbone interact. energy: 1.017 local terms energy: -524.980691 where: bonds (distance) C4'-P energy: -100.277 bonds (distance) P-C4' energy: -106.242 flat angles C4'-P-C4' energy: -113.131 flat angles P-C4'-P energy: -68.674 tors. eta vs tors. theta energy: -136.657 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: 6, replica: 5 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1626.327258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.327258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.327258 (E_RNA) where: Base-Base interactions energy: -1130.473 where: short stacking energy: -471.377 Base-Backbone interact. energy: -2.569 local terms energy: -493.285430 where: bonds (distance) C4'-P energy: -86.081 bonds (distance) P-C4' energy: -109.132 flat angles C4'-P-C4' energy: -108.196 flat angles P-C4'-P energy: -70.443 tors. eta vs tors. theta energy: -119.433 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: 7, replica: 9 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1389.698173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.698173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.698173 (E_RNA) where: Base-Base interactions energy: -918.817 where: short stacking energy: -397.282 Base-Backbone interact. energy: 2.550 local terms energy: -473.431357 where: bonds (distance) C4'-P energy: -101.130 bonds (distance) P-C4' energy: -105.948 flat angles C4'-P-C4' energy: -85.810 flat angles P-C4'-P energy: -78.007 tors. eta vs tors. theta energy: -102.536 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: 8, replica: 6 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1283.319056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.319056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.319056 (E_RNA) where: Base-Base interactions energy: -874.446 where: short stacking energy: -375.652 Base-Backbone interact. energy: 7.003 local terms energy: -415.875898 where: bonds (distance) C4'-P energy: -76.304 bonds (distance) P-C4' energy: -88.707 flat angles C4'-P-C4' energy: -96.804 flat angles P-C4'-P energy: -71.352 tors. eta vs tors. theta energy: -82.709 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: 9, replica: 10 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1120.516513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.516513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.516513 (E_RNA) where: Base-Base interactions energy: -715.905 where: short stacking energy: -313.852 Base-Backbone interact. energy: 3.298 local terms energy: -407.909671 where: bonds (distance) C4'-P energy: -87.061 bonds (distance) P-C4' energy: -90.859 flat angles C4'-P-C4' energy: -93.868 flat angles P-C4'-P energy: -65.869 tors. eta vs tors. theta energy: -70.253 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: 7 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -1089.733683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.733683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.733683 (E_RNA) where: Base-Base interactions energy: -716.920 where: short stacking energy: -321.887 Base-Backbone interact. energy: 6.168 local terms energy: -378.981347 where: bonds (distance) C4'-P energy: -78.100 bonds (distance) P-C4' energy: -95.747 flat angles C4'-P-C4' energy: -87.825 flat angles P-C4'-P energy: -53.673 tors. eta vs tors. theta energy: -63.636 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: 1, replica: 8 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1925.588277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.588277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.588277 (E_RNA) where: Base-Base interactions energy: -1333.776 where: short stacking energy: -542.063 Base-Backbone interact. energy: -2.834 local terms energy: -588.978203 where: bonds (distance) C4'-P energy: -111.786 bonds (distance) P-C4' energy: -114.775 flat angles C4'-P-C4' energy: -115.155 flat angles P-C4'-P energy: -84.602 tors. eta vs tors. theta energy: -162.659 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: 2, replica: 4 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1867.950204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.950204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.950204 (E_RNA) where: Base-Base interactions energy: -1300.698 where: short stacking energy: -547.180 Base-Backbone interact. energy: -0.774 local terms energy: -566.478410 where: bonds (distance) C4'-P energy: -105.283 bonds (distance) P-C4' energy: -101.806 flat angles C4'-P-C4' energy: -116.590 flat angles P-C4'-P energy: -85.781 tors. eta vs tors. theta energy: -157.019 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: 2 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1877.645146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.645146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.645146 (E_RNA) where: Base-Base interactions energy: -1304.737 where: short stacking energy: -539.660 Base-Backbone interact. energy: -0.506 local terms energy: -572.401929 where: bonds (distance) C4'-P energy: -106.412 bonds (distance) P-C4' energy: -111.324 flat angles C4'-P-C4' energy: -116.816 flat angles P-C4'-P energy: -78.997 tors. eta vs tors. theta energy: -158.853 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: 4, replica: 1 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1794.625817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.625817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.625817 (E_RNA) where: Base-Base interactions energy: -1244.278 where: short stacking energy: -522.784 Base-Backbone interact. energy: 3.631 local terms energy: -553.978788 where: bonds (distance) C4'-P energy: -96.620 bonds (distance) P-C4' energy: -108.308 flat angles C4'-P-C4' energy: -110.184 flat angles P-C4'-P energy: -82.765 tors. eta vs tors. theta energy: -156.102 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: 3 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1753.392670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.392670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.392670 (E_RNA) where: Base-Base interactions energy: -1231.690 where: short stacking energy: -519.709 Base-Backbone interact. energy: -0.849 local terms energy: -520.853191 where: bonds (distance) C4'-P energy: -98.557 bonds (distance) P-C4' energy: -107.681 flat angles C4'-P-C4' energy: -99.081 flat angles P-C4'-P energy: -72.480 tors. eta vs tors. theta energy: -143.053 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: 5 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1660.076422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.076422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.076422 (E_RNA) where: Base-Base interactions energy: -1133.072 where: short stacking energy: -490.730 Base-Backbone interact. energy: 6.620 local terms energy: -533.624159 where: bonds (distance) C4'-P energy: -89.172 bonds (distance) P-C4' energy: -111.788 flat angles C4'-P-C4' energy: -116.310 flat angles P-C4'-P energy: -75.414 tors. eta vs tors. theta energy: -140.941 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: 7, replica: 9 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1396.111262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.111262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.111262 (E_RNA) where: Base-Base interactions energy: -934.738 where: short stacking energy: -403.429 Base-Backbone interact. energy: -1.418 local terms energy: -459.955249 where: bonds (distance) C4'-P energy: -90.579 bonds (distance) P-C4' energy: -98.924 flat angles C4'-P-C4' energy: -102.606 flat angles P-C4'-P energy: -60.063 tors. eta vs tors. theta energy: -107.784 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: 8, replica: 6 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1292.401448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.401448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.401448 (E_RNA) where: Base-Base interactions energy: -862.683 where: short stacking energy: -362.150 Base-Backbone interact. energy: 1.103 local terms energy: -430.821669 where: bonds (distance) C4'-P energy: -82.022 bonds (distance) P-C4' energy: -96.259 flat angles C4'-P-C4' energy: -92.447 flat angles P-C4'-P energy: -68.619 tors. eta vs tors. theta energy: -91.475 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: 10 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1119.762546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.762546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.762546 (E_RNA) where: Base-Base interactions energy: -707.636 where: short stacking energy: -309.867 Base-Backbone interact. energy: -1.060 local terms energy: -411.066537 where: bonds (distance) C4'-P energy: -88.147 bonds (distance) P-C4' energy: -106.000 flat angles C4'-P-C4' energy: -104.910 flat angles P-C4'-P energy: -52.404 tors. eta vs tors. theta energy: -59.605 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: 7 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -1105.009447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.009447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.009447 (E_RNA) where: Base-Base interactions energy: -709.449 where: short stacking energy: -325.729 Base-Backbone interact. energy: 3.555 local terms energy: -399.115163 where: bonds (distance) C4'-P energy: -86.093 bonds (distance) P-C4' energy: -114.156 flat angles C4'-P-C4' energy: -86.854 flat angles P-C4'-P energy: -57.166 tors. eta vs tors. theta energy: -54.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1944.650194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.650194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.650194 (E_RNA) where: Base-Base interactions energy: -1353.453 where: short stacking energy: -575.581 Base-Backbone interact. energy: -3.316 local terms energy: -587.881836 where: bonds (distance) C4'-P energy: -99.325 bonds (distance) P-C4' energy: -125.381 flat angles C4'-P-C4' energy: -114.852 flat angles P-C4'-P energy: -88.839 tors. eta vs tors. theta energy: -159.484 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: 4 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1869.505454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.505454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.505454 (E_RNA) where: Base-Base interactions energy: -1301.311 where: short stacking energy: -546.910 Base-Backbone interact. energy: 2.976 local terms energy: -571.170791 where: bonds (distance) C4'-P energy: -96.264 bonds (distance) P-C4' energy: -119.788 flat angles C4'-P-C4' energy: -116.695 flat angles P-C4'-P energy: -84.356 tors. eta vs tors. theta energy: -154.069 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: 3, replica: 2 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1866.981310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.981310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.981310 (E_RNA) where: Base-Base interactions energy: -1318.619 where: short stacking energy: -530.239 Base-Backbone interact. energy: -2.096 local terms energy: -546.266696 where: bonds (distance) C4'-P energy: -98.858 bonds (distance) P-C4' energy: -92.759 flat angles C4'-P-C4' energy: -116.361 flat angles P-C4'-P energy: -78.639 tors. eta vs tors. theta energy: -159.650 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: 4, replica: 1 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1809.223396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.223396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.223396 (E_RNA) where: Base-Base interactions energy: -1253.764 where: short stacking energy: -527.955 Base-Backbone interact. energy: 4.543 local terms energy: -560.002558 where: bonds (distance) C4'-P energy: -95.956 bonds (distance) P-C4' energy: -119.073 flat angles C4'-P-C4' energy: -108.910 flat angles P-C4'-P energy: -84.773 tors. eta vs tors. theta energy: -151.290 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: 5, replica: 3 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1764.799854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.799854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.799854 (E_RNA) where: Base-Base interactions energy: -1259.082 where: short stacking energy: -502.289 Base-Backbone interact. energy: 4.693 local terms energy: -510.410646 where: bonds (distance) C4'-P energy: -79.509 bonds (distance) P-C4' energy: -108.546 flat angles C4'-P-C4' energy: -108.822 flat angles P-C4'-P energy: -68.009 tors. eta vs tors. theta energy: -145.525 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: 5 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1647.168402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.168402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.168402 (E_RNA) where: Base-Base interactions energy: -1142.425 where: short stacking energy: -472.388 Base-Backbone interact. energy: -0.771 local terms energy: -503.972367 where: bonds (distance) C4'-P energy: -80.346 bonds (distance) P-C4' energy: -109.848 flat angles C4'-P-C4' energy: -112.224 flat angles P-C4'-P energy: -81.027 tors. eta vs tors. theta energy: -120.528 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: 7, replica: 9 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1371.254444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.254444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.254444 (E_RNA) where: Base-Base interactions energy: -919.272 where: short stacking energy: -396.278 Base-Backbone interact. energy: 2.610 local terms energy: -454.591905 where: bonds (distance) C4'-P energy: -97.928 bonds (distance) P-C4' energy: -97.964 flat angles C4'-P-C4' energy: -101.234 flat angles P-C4'-P energy: -68.991 tors. eta vs tors. theta energy: -88.476 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: 8, replica: 6 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1272.879497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.879497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.879497 (E_RNA) where: Base-Base interactions energy: -861.492 where: short stacking energy: -378.482 Base-Backbone interact. energy: -1.160 local terms energy: -410.227505 where: bonds (distance) C4'-P energy: -77.325 bonds (distance) P-C4' energy: -95.783 flat angles C4'-P-C4' energy: -95.752 flat angles P-C4'-P energy: -57.231 tors. eta vs tors. theta energy: -84.137 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: 10 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1134.666722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.666722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.666722 (E_RNA) where: Base-Base interactions energy: -718.515 where: short stacking energy: -305.765 Base-Backbone interact. energy: 0.228 local terms energy: -416.379103 where: bonds (distance) C4'-P energy: -82.983 bonds (distance) P-C4' energy: -110.366 flat angles C4'-P-C4' energy: -98.105 flat angles P-C4'-P energy: -67.022 tors. eta vs tors. theta energy: -57.903 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: 10, replica: 7 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -1155.665438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.665438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.665438 (E_RNA) where: Base-Base interactions energy: -745.910 where: short stacking energy: -316.317 Base-Backbone interact. energy: 0.270 local terms energy: -410.025833 where: bonds (distance) C4'-P energy: -97.687 bonds (distance) P-C4' energy: -100.717 flat angles C4'-P-C4' energy: -94.812 flat angles P-C4'-P energy: -51.419 tors. eta vs tors. theta energy: -65.392 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: 8 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1926.577657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.577657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.577657 (E_RNA) where: Base-Base interactions energy: -1332.612 where: short stacking energy: -566.009 Base-Backbone interact. energy: -3.784 local terms energy: -590.181738 where: bonds (distance) C4'-P energy: -110.073 bonds (distance) P-C4' energy: -101.314 flat angles C4'-P-C4' energy: -121.009 flat angles P-C4'-P energy: -91.900 tors. eta vs tors. theta energy: -165.886 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: 2 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1910.384850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.384850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.384850 (E_RNA) where: Base-Base interactions energy: -1344.034 where: short stacking energy: -553.405 Base-Backbone interact. energy: -1.024 local terms energy: -565.327334 where: bonds (distance) C4'-P energy: -99.733 bonds (distance) P-C4' energy: -120.188 flat angles C4'-P-C4' energy: -112.893 flat angles P-C4'-P energy: -73.794 tors. eta vs tors. theta energy: -158.719 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: 3, replica: 4 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1822.180568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.180568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.180568 (E_RNA) where: Base-Base interactions energy: -1281.587 where: short stacking energy: -520.933 Base-Backbone interact. energy: -1.577 local terms energy: -539.017248 where: bonds (distance) C4'-P energy: -101.045 bonds (distance) P-C4' energy: -108.465 flat angles C4'-P-C4' energy: -104.467 flat angles P-C4'-P energy: -72.339 tors. eta vs tors. theta energy: -152.702 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: 4, replica: 3 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1793.119306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.119306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.119306 (E_RNA) where: Base-Base interactions energy: -1256.735 where: short stacking energy: -509.364 Base-Backbone interact. energy: 2.410 local terms energy: -538.794627 where: bonds (distance) C4'-P energy: -102.874 bonds (distance) P-C4' energy: -91.856 flat angles C4'-P-C4' energy: -116.196 flat angles P-C4'-P energy: -83.310 tors. eta vs tors. theta energy: -144.560 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: 5, replica: 1 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1762.863363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.863363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.863363 (E_RNA) where: Base-Base interactions energy: -1246.038 where: short stacking energy: -511.344 Base-Backbone interact. energy: 4.580 local terms energy: -521.405124 where: bonds (distance) C4'-P energy: -89.493 bonds (distance) P-C4' energy: -100.204 flat angles C4'-P-C4' energy: -117.749 flat angles P-C4'-P energy: -72.833 tors. eta vs tors. theta energy: -141.126 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: 5 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1637.904070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.904070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.904070 (E_RNA) where: Base-Base interactions energy: -1141.077 where: short stacking energy: -467.868 Base-Backbone interact. energy: -1.882 local terms energy: -494.944748 where: bonds (distance) C4'-P energy: -87.472 bonds (distance) P-C4' energy: -96.251 flat angles C4'-P-C4' energy: -114.024 flat angles P-C4'-P energy: -70.676 tors. eta vs tors. theta energy: -126.522 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: 9 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1372.738292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.738292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.738292 (E_RNA) where: Base-Base interactions energy: -934.093 where: short stacking energy: -394.338 Base-Backbone interact. energy: 3.205 local terms energy: -441.850404 where: bonds (distance) C4'-P energy: -84.416 bonds (distance) P-C4' energy: -103.625 flat angles C4'-P-C4' energy: -88.867 flat angles P-C4'-P energy: -74.612 tors. eta vs tors. theta energy: -90.331 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: 6 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1260.422882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.422882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.422882 (E_RNA) where: Base-Base interactions energy: -809.711 where: short stacking energy: -355.594 Base-Backbone interact. energy: -2.564 local terms energy: -448.148028 where: bonds (distance) C4'-P energy: -101.632 bonds (distance) P-C4' energy: -98.750 flat angles C4'-P-C4' energy: -92.580 flat angles P-C4'-P energy: -66.094 tors. eta vs tors. theta energy: -89.092 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: 9, replica: 10 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1164.731039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.731039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.731039 (E_RNA) where: Base-Base interactions energy: -772.851 where: short stacking energy: -329.100 Base-Backbone interact. energy: 1.203 local terms energy: -393.082640 where: bonds (distance) C4'-P energy: -83.792 bonds (distance) P-C4' energy: -102.793 flat angles C4'-P-C4' energy: -93.829 flat angles P-C4'-P energy: -56.229 tors. eta vs tors. theta energy: -56.439 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: 10, replica: 7 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -1094.821749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.821749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.821749 (E_RNA) where: Base-Base interactions energy: -724.270 where: short stacking energy: -300.570 Base-Backbone interact. energy: 0.243 local terms energy: -370.794946 where: bonds (distance) C4'-P energy: -69.361 bonds (distance) P-C4' energy: -99.008 flat angles C4'-P-C4' energy: -90.451 flat angles P-C4'-P energy: -57.577 tors. eta vs tors. theta energy: -54.398 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: 8 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1892.714913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.714913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.714913 (E_RNA) where: Base-Base interactions energy: -1325.167 where: short stacking energy: -550.963 Base-Backbone interact. energy: -2.176 local terms energy: -565.372465 where: bonds (distance) C4'-P energy: -103.106 bonds (distance) P-C4' energy: -120.801 flat angles C4'-P-C4' energy: -117.264 flat angles P-C4'-P energy: -70.348 tors. eta vs tors. theta energy: -153.853 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: 2, replica: 2 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1899.756145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.756145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.756145 (E_RNA) where: Base-Base interactions energy: -1329.480 where: short stacking energy: -544.594 Base-Backbone interact. energy: 0.407 local terms energy: -570.683102 where: bonds (distance) C4'-P energy: -92.050 bonds (distance) P-C4' energy: -112.432 flat angles C4'-P-C4' energy: -116.536 flat angles P-C4'-P energy: -85.291 tors. eta vs tors. theta energy: -164.373 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: 3 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1836.293142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.293142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.293142 (E_RNA) where: Base-Base interactions energy: -1281.310 where: short stacking energy: -526.235 Base-Backbone interact. energy: -0.317 local terms energy: -554.666009 where: bonds (distance) C4'-P energy: -100.551 bonds (distance) P-C4' energy: -112.922 flat angles C4'-P-C4' energy: -113.682 flat angles P-C4'-P energy: -80.394 tors. eta vs tors. theta energy: -147.117 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: 4, replica: 4 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1772.561270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.561270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.561270 (E_RNA) where: Base-Base interactions energy: -1249.184 where: short stacking energy: -513.277 Base-Backbone interact. energy: 6.185 local terms energy: -529.562461 where: bonds (distance) C4'-P energy: -97.565 bonds (distance) P-C4' energy: -109.513 flat angles C4'-P-C4' energy: -112.285 flat angles P-C4'-P energy: -65.193 tors. eta vs tors. theta energy: -145.007 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: 5, replica: 1 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1752.889717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.889717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.889717 (E_RNA) where: Base-Base interactions energy: -1226.359 where: short stacking energy: -484.665 Base-Backbone interact. energy: 5.478 local terms energy: -532.008578 where: bonds (distance) C4'-P energy: -97.510 bonds (distance) P-C4' energy: -108.136 flat angles C4'-P-C4' energy: -116.367 flat angles P-C4'-P energy: -72.342 tors. eta vs tors. theta energy: -137.654 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: 5 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1588.228465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.228465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.228465 (E_RNA) where: Base-Base interactions energy: -1100.518 where: short stacking energy: -442.986 Base-Backbone interact. energy: -2.150 local terms energy: -485.560080 where: bonds (distance) C4'-P energy: -87.610 bonds (distance) P-C4' energy: -105.951 flat angles C4'-P-C4' energy: -93.377 flat angles P-C4'-P energy: -72.417 tors. eta vs tors. theta energy: -126.205 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: 9 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1435.377472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.377472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.377472 (E_RNA) where: Base-Base interactions energy: -969.343 where: short stacking energy: -417.827 Base-Backbone interact. energy: -0.951 local terms energy: -465.083490 where: bonds (distance) C4'-P energy: -91.601 bonds (distance) P-C4' energy: -94.869 flat angles C4'-P-C4' energy: -103.898 flat angles P-C4'-P energy: -78.585 tors. eta vs tors. theta energy: -96.130 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: 6 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1238.160727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.160727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.160727 (E_RNA) where: Base-Base interactions energy: -812.271 where: short stacking energy: -358.413 Base-Backbone interact. energy: -2.670 local terms energy: -423.220583 where: bonds (distance) C4'-P energy: -95.543 bonds (distance) P-C4' energy: -99.097 flat angles C4'-P-C4' energy: -94.793 flat angles P-C4'-P energy: -59.846 tors. eta vs tors. theta energy: -73.943 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: 7 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1132.320286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.320286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.320286 (E_RNA) where: Base-Base interactions energy: -727.712 where: short stacking energy: -328.354 Base-Backbone interact. energy: 0.112 local terms energy: -404.719828 where: bonds (distance) C4'-P energy: -87.600 bonds (distance) P-C4' energy: -103.184 flat angles C4'-P-C4' energy: -101.606 flat angles P-C4'-P energy: -47.586 tors. eta vs tors. theta energy: -64.744 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: 10 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -1118.536659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.536659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.536659 (E_RNA) where: Base-Base interactions energy: -731.610 where: short stacking energy: -333.811 Base-Backbone interact. energy: -1.933 local terms energy: -384.993528 where: bonds (distance) C4'-P energy: -96.259 bonds (distance) P-C4' energy: -98.267 flat angles C4'-P-C4' energy: -76.307 flat angles P-C4'-P energy: -55.745 tors. eta vs tors. theta energy: -58.416 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: 1, replica: 8 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1943.085081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.085081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.085081 (E_RNA) where: Base-Base interactions energy: -1364.659 where: short stacking energy: -576.286 Base-Backbone interact. energy: -2.392 local terms energy: -576.034431 where: bonds (distance) C4'-P energy: -103.667 bonds (distance) P-C4' energy: -105.763 flat angles C4'-P-C4' energy: -123.722 flat angles P-C4'-P energy: -85.692 tors. eta vs tors. theta energy: -157.191 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: 2 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1883.156640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.156640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.156640 (E_RNA) where: Base-Base interactions energy: -1303.321 where: short stacking energy: -544.067 Base-Backbone interact. energy: -2.706 local terms energy: -577.128913 where: bonds (distance) C4'-P energy: -93.270 bonds (distance) P-C4' energy: -122.136 flat angles C4'-P-C4' energy: -122.341 flat angles P-C4'-P energy: -78.300 tors. eta vs tors. theta energy: -161.082 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: 3, replica: 3 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1826.026455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.026455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.026455 (E_RNA) where: Base-Base interactions energy: -1267.843 where: short stacking energy: -529.285 Base-Backbone interact. energy: -2.471 local terms energy: -555.712758 where: bonds (distance) C4'-P energy: -106.661 bonds (distance) P-C4' energy: -109.742 flat angles C4'-P-C4' energy: -112.672 flat angles P-C4'-P energy: -74.250 tors. eta vs tors. theta energy: -152.387 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: 4, replica: 1 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1767.436381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.436381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.436381 (E_RNA) where: Base-Base interactions energy: -1247.174 where: short stacking energy: -506.250 Base-Backbone interact. energy: -1.350 local terms energy: -518.911681 where: bonds (distance) C4'-P energy: -93.677 bonds (distance) P-C4' energy: -112.270 flat angles C4'-P-C4' energy: -100.137 flat angles P-C4'-P energy: -73.576 tors. eta vs tors. theta energy: -139.252 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: 4 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1774.740143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.740143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.740143 (E_RNA) where: Base-Base interactions energy: -1241.660 where: short stacking energy: -507.855 Base-Backbone interact. energy: -3.104 local terms energy: -529.976144 where: bonds (distance) C4'-P energy: -90.546 bonds (distance) P-C4' energy: -104.250 flat angles C4'-P-C4' energy: -114.176 flat angles P-C4'-P energy: -74.048 tors. eta vs tors. theta energy: -146.956 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: 6, replica: 5 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1594.078717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.078717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.078717 (E_RNA) where: Base-Base interactions energy: -1092.988 where: short stacking energy: -450.571 Base-Backbone interact. energy: -1.992 local terms energy: -499.098452 where: bonds (distance) C4'-P energy: -90.974 bonds (distance) P-C4' energy: -110.144 flat angles C4'-P-C4' energy: -111.201 flat angles P-C4'-P energy: -63.705 tors. eta vs tors. theta energy: -123.073 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: 7, replica: 9 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1427.066322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.066322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.066322 (E_RNA) where: Base-Base interactions energy: -973.234 where: short stacking energy: -407.113 Base-Backbone interact. energy: 0.793 local terms energy: -454.625126 where: bonds (distance) C4'-P energy: -85.590 bonds (distance) P-C4' energy: -102.391 flat angles C4'-P-C4' energy: -85.953 flat angles P-C4'-P energy: -74.349 tors. eta vs tors. theta energy: -106.343 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: 205 Temperature: 1.250000 Total energy: -1317.135223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.135223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.135223 (E_RNA) where: Base-Base interactions energy: -856.113 where: short stacking energy: -382.880 Base-Backbone interact. energy: -0.588 local terms energy: -460.434828 where: bonds (distance) C4'-P energy: -84.397 bonds (distance) P-C4' energy: -114.043 flat angles C4'-P-C4' energy: -109.964 flat angles P-C4'-P energy: -58.037 tors. eta vs tors. theta energy: -93.994 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: 9, replica: 7 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1155.650180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.650180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.650180 (E_RNA) where: Base-Base interactions energy: -728.267 where: short stacking energy: -319.023 Base-Backbone interact. energy: 3.789 local terms energy: -431.172385 where: bonds (distance) C4'-P energy: -91.400 bonds (distance) P-C4' energy: -104.210 flat angles C4'-P-C4' energy: -101.022 flat angles P-C4'-P energy: -64.346 tors. eta vs tors. theta energy: -70.194 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: 10, replica: 10 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -1131.877286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.877286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.877286 (E_RNA) where: Base-Base interactions energy: -742.301 where: short stacking energy: -337.131 Base-Backbone interact. energy: 2.130 local terms energy: -391.706595 where: bonds (distance) C4'-P energy: -87.753 bonds (distance) P-C4' energy: -97.623 flat angles C4'-P-C4' energy: -91.521 flat angles P-C4'-P energy: -48.355 tors. eta vs tors. theta energy: -66.455 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: 1, replica: 8 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1927.093191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.093191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.093191 (E_RNA) where: Base-Base interactions energy: -1357.201 where: short stacking energy: -558.375 Base-Backbone interact. energy: -0.999 local terms energy: -568.893374 where: bonds (distance) C4'-P energy: -102.459 bonds (distance) P-C4' energy: -106.892 flat angles C4'-P-C4' energy: -112.775 flat angles P-C4'-P energy: -88.002 tors. eta vs tors. theta energy: -158.766 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: 2, replica: 2 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1918.891751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.891751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.891751 (E_RNA) where: Base-Base interactions energy: -1346.066 where: short stacking energy: -562.087 Base-Backbone interact. energy: -0.228 local terms energy: -572.597760 where: bonds (distance) C4'-P energy: -99.249 bonds (distance) P-C4' energy: -120.931 flat angles C4'-P-C4' energy: -113.258 flat angles P-C4'-P energy: -82.236 tors. eta vs tors. theta energy: -156.924 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: 3 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1840.865869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.865869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.865869 (E_RNA) where: Base-Base interactions energy: -1296.838 where: short stacking energy: -541.197 Base-Backbone interact. energy: 0.877 local terms energy: -544.905516 where: bonds (distance) C4'-P energy: -83.954 bonds (distance) P-C4' energy: -116.169 flat angles C4'-P-C4' energy: -115.236 flat angles P-C4'-P energy: -75.087 tors. eta vs tors. theta energy: -154.459 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: 4, replica: 1 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1772.483794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.483794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.483794 (E_RNA) where: Base-Base interactions energy: -1235.060 where: short stacking energy: -507.782 Base-Backbone interact. energy: 0.719 local terms energy: -538.143619 where: bonds (distance) C4'-P energy: -109.190 bonds (distance) P-C4' energy: -110.059 flat angles C4'-P-C4' energy: -113.601 flat angles P-C4'-P energy: -65.223 tors. eta vs tors. theta energy: -140.071 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: 5, replica: 4 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1779.160642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.160642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.160642 (E_RNA) where: Base-Base interactions energy: -1229.716 where: short stacking energy: -505.316 Base-Backbone interact. energy: -1.923 local terms energy: -547.521594 where: bonds (distance) C4'-P energy: -95.465 bonds (distance) P-C4' energy: -108.073 flat angles C4'-P-C4' energy: -119.245 flat angles P-C4'-P energy: -73.899 tors. eta vs tors. theta energy: -150.839 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: 6, replica: 5 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1583.630428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.630428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.630428 (E_RNA) where: Base-Base interactions energy: -1106.735 where: short stacking energy: -459.053 Base-Backbone interact. energy: 1.302 local terms energy: -478.197600 where: bonds (distance) C4'-P energy: -73.116 bonds (distance) P-C4' energy: -104.857 flat angles C4'-P-C4' energy: -109.082 flat angles P-C4'-P energy: -70.627 tors. eta vs tors. theta energy: -120.515 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: 7, replica: 9 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1408.421138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.421138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.421138 (E_RNA) where: Base-Base interactions energy: -950.746 where: short stacking energy: -400.452 Base-Backbone interact. energy: -2.019 local terms energy: -455.656145 where: bonds (distance) C4'-P energy: -83.790 bonds (distance) P-C4' energy: -95.859 flat angles C4'-P-C4' energy: -101.206 flat angles P-C4'-P energy: -71.698 tors. eta vs tors. theta energy: -103.102 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: 8, replica: 6 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1317.337570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.337570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.337570 (E_RNA) where: Base-Base interactions energy: -878.379 where: short stacking energy: -364.090 Base-Backbone interact. energy: 1.950 local terms energy: -440.908726 where: bonds (distance) C4'-P energy: -98.347 bonds (distance) P-C4' energy: -103.779 flat angles C4'-P-C4' energy: -104.321 flat angles P-C4'-P energy: -56.471 tors. eta vs tors. theta energy: -77.991 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: 9, replica: 10 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1132.753261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.753261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.753261 (E_RNA) where: Base-Base interactions energy: -718.984 where: short stacking energy: -341.094 Base-Backbone interact. energy: 3.022 local terms energy: -416.791124 where: bonds (distance) C4'-P energy: -80.321 bonds (distance) P-C4' energy: -102.938 flat angles C4'-P-C4' energy: -97.573 flat angles P-C4'-P energy: -73.363 tors. eta vs tors. theta energy: -62.597 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: 10, replica: 7 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -1094.994445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.994445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.994445 (E_RNA) where: Base-Base interactions energy: -694.010 where: short stacking energy: -321.195 Base-Backbone interact. energy: -2.521 local terms energy: -398.464358 where: bonds (distance) C4'-P energy: -90.770 bonds (distance) P-C4' energy: -99.976 flat angles C4'-P-C4' energy: -79.496 flat angles P-C4'-P energy: -65.287 tors. eta vs tors. theta energy: -62.936 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: 8 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1955.637944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.637944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.637944 (E_RNA) where: Base-Base interactions energy: -1360.291 where: short stacking energy: -562.391 Base-Backbone interact. energy: -2.026 local terms energy: -593.320456 where: bonds (distance) C4'-P energy: -115.400 bonds (distance) P-C4' energy: -109.320 flat angles C4'-P-C4' energy: -124.276 flat angles P-C4'-P energy: -80.010 tors. eta vs tors. theta energy: -164.315 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: 2, replica: 2 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1897.456771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.456771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.456771 (E_RNA) where: Base-Base interactions energy: -1340.154 where: short stacking energy: -553.923 Base-Backbone interact. energy: -1.952 local terms energy: -555.351171 where: bonds (distance) C4'-P energy: -89.972 bonds (distance) P-C4' energy: -112.460 flat angles C4'-P-C4' energy: -115.853 flat angles P-C4'-P energy: -78.861 tors. eta vs tors. theta energy: -158.205 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: 3, replica: 3 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1850.713051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.713051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.713051 (E_RNA) where: Base-Base interactions energy: -1308.223 where: short stacking energy: -532.119 Base-Backbone interact. energy: -0.983 local terms energy: -541.507350 where: bonds (distance) C4'-P energy: -99.672 bonds (distance) P-C4' energy: -97.412 flat angles C4'-P-C4' energy: -116.189 flat angles P-C4'-P energy: -74.132 tors. eta vs tors. theta energy: -154.102 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: 4 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1775.027931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.027931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.027931 (E_RNA) where: Base-Base interactions energy: -1250.828 where: short stacking energy: -504.732 Base-Backbone interact. energy: 1.736 local terms energy: -525.936481 where: bonds (distance) C4'-P energy: -78.255 bonds (distance) P-C4' energy: -108.009 flat angles C4'-P-C4' energy: -113.999 flat angles P-C4'-P energy: -79.978 tors. eta vs tors. theta energy: -145.695 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: 5, replica: 1 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1764.342716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.342716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.342716 (E_RNA) where: Base-Base interactions energy: -1240.228 where: short stacking energy: -518.016 Base-Backbone interact. energy: -1.632 local terms energy: -522.483175 where: bonds (distance) C4'-P energy: -99.745 bonds (distance) P-C4' energy: -94.677 flat angles C4'-P-C4' energy: -107.069 flat angles P-C4'-P energy: -74.227 tors. eta vs tors. theta energy: -146.765 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: 6, replica: 5 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1592.975927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.975927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.975927 (E_RNA) where: Base-Base interactions energy: -1097.937 where: short stacking energy: -446.482 Base-Backbone interact. energy: 3.218 local terms energy: -498.256141 where: bonds (distance) C4'-P energy: -94.067 bonds (distance) P-C4' energy: -107.979 flat angles C4'-P-C4' energy: -107.025 flat angles P-C4'-P energy: -72.085 tors. eta vs tors. theta energy: -117.100 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: 9 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1451.091138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.091138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.091138 (E_RNA) where: Base-Base interactions energy: -976.812 where: short stacking energy: -426.552 Base-Backbone interact. energy: 1.887 local terms energy: -476.165764 where: bonds (distance) C4'-P energy: -91.667 bonds (distance) P-C4' energy: -98.771 flat angles C4'-P-C4' energy: -107.707 flat angles P-C4'-P energy: -67.136 tors. eta vs tors. theta energy: -110.884 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: 207 Temperature: 1.250000 Total energy: -1333.935282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.935282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.935282 (E_RNA) where: Base-Base interactions energy: -894.475 where: short stacking energy: -390.140 Base-Backbone interact. energy: -2.403 local terms energy: -437.057084 where: bonds (distance) C4'-P energy: -75.927 bonds (distance) P-C4' energy: -96.340 flat angles C4'-P-C4' energy: -98.196 flat angles P-C4'-P energy: -63.627 tors. eta vs tors. theta energy: -102.966 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: 10 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1151.891507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.891507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.891507 (E_RNA) where: Base-Base interactions energy: -723.753 where: short stacking energy: -331.301 Base-Backbone interact. energy: 0.757 local terms energy: -428.895819 where: bonds (distance) C4'-P energy: -88.242 bonds (distance) P-C4' energy: -98.465 flat angles C4'-P-C4' energy: -108.148 flat angles P-C4'-P energy: -57.347 tors. eta vs tors. theta energy: -76.693 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: 10, replica: 7 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -1114.064113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.064113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.064113 (E_RNA) where: Base-Base interactions energy: -710.936 where: short stacking energy: -322.765 Base-Backbone interact. energy: -0.030 local terms energy: -403.097876 where: bonds (distance) C4'-P energy: -86.357 bonds (distance) P-C4' energy: -114.754 flat angles C4'-P-C4' energy: -76.956 flat angles P-C4'-P energy: -60.888 tors. eta vs tors. theta energy: -64.144 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: 208 Temperature: 0.900000 Total energy: -1915.564837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.564837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.564837 (E_RNA) where: Base-Base interactions energy: -1333.810 where: short stacking energy: -546.273 Base-Backbone interact. energy: -0.817 local terms energy: -580.937718 where: bonds (distance) C4'-P energy: -106.600 bonds (distance) P-C4' energy: -107.385 flat angles C4'-P-C4' energy: -124.789 flat angles P-C4'-P energy: -78.900 tors. eta vs tors. theta energy: -163.264 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: 2, replica: 8 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1914.051554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.051554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.051554 (E_RNA) where: Base-Base interactions energy: -1351.431 where: short stacking energy: -561.706 Base-Backbone interact. energy: 0.055 local terms energy: -562.675534 where: bonds (distance) C4'-P energy: -98.526 bonds (distance) P-C4' energy: -111.771 flat angles C4'-P-C4' energy: -115.016 flat angles P-C4'-P energy: -77.399 tors. eta vs tors. theta energy: -159.963 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: 3, replica: 3 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1852.939213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.939213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.939213 (E_RNA) where: Base-Base interactions energy: -1297.529 where: short stacking energy: -532.364 Base-Backbone interact. energy: -2.918 local terms energy: -552.491701 where: bonds (distance) C4'-P energy: -88.591 bonds (distance) P-C4' energy: -110.505 flat angles C4'-P-C4' energy: -116.238 flat angles P-C4'-P energy: -83.390 tors. eta vs tors. theta energy: -153.768 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: 4, replica: 4 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1794.362854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.362854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.362854 (E_RNA) where: Base-Base interactions energy: -1231.162 where: short stacking energy: -523.784 Base-Backbone interact. energy: -0.808 local terms energy: -562.392082 where: bonds (distance) C4'-P energy: -98.069 bonds (distance) P-C4' energy: -113.434 flat angles C4'-P-C4' energy: -110.647 flat angles P-C4'-P energy: -85.425 tors. eta vs tors. theta energy: -154.817 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: 5, replica: 1 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1740.519124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.519124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.519124 (E_RNA) where: Base-Base interactions energy: -1219.247 where: short stacking energy: -506.424 Base-Backbone interact. energy: -1.423 local terms energy: -519.849338 where: bonds (distance) C4'-P energy: -97.011 bonds (distance) P-C4' energy: -104.265 flat angles C4'-P-C4' energy: -114.750 flat angles P-C4'-P energy: -66.910 tors. eta vs tors. theta energy: -136.913 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: 6, replica: 5 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1573.090057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.090057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.090057 (E_RNA) where: Base-Base interactions energy: -1116.166 where: short stacking energy: -463.755 Base-Backbone interact. energy: -2.479 local terms energy: -454.444644 where: bonds (distance) C4'-P energy: -96.591 bonds (distance) P-C4' energy: -80.072 flat angles C4'-P-C4' energy: -94.059 flat angles P-C4'-P energy: -66.160 tors. eta vs tors. theta energy: -117.563 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: 7, replica: 9 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1444.906047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.906047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.906047 (E_RNA) where: Base-Base interactions energy: -970.953 where: short stacking energy: -423.346 Base-Backbone interact. energy: 1.364 local terms energy: -475.317714 where: bonds (distance) C4'-P energy: -87.798 bonds (distance) P-C4' energy: -110.937 flat angles C4'-P-C4' energy: -91.154 flat angles P-C4'-P energy: -68.736 tors. eta vs tors. theta energy: -116.693 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: 6 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1318.661688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.661688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.661688 (E_RNA) where: Base-Base interactions energy: -880.033 where: short stacking energy: -404.820 Base-Backbone interact. energy: -2.921 local terms energy: -435.707619 where: bonds (distance) C4'-P energy: -100.080 bonds (distance) P-C4' energy: -94.620 flat angles C4'-P-C4' energy: -90.946 flat angles P-C4'-P energy: -59.444 tors. eta vs tors. theta energy: -90.618 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: 9, replica: 10 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1132.689062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.689062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.689062 (E_RNA) where: Base-Base interactions energy: -731.246 where: short stacking energy: -337.988 Base-Backbone interact. energy: 2.120 local terms energy: -403.562700 where: bonds (distance) C4'-P energy: -78.034 bonds (distance) P-C4' energy: -101.101 flat angles C4'-P-C4' energy: -83.885 flat angles P-C4'-P energy: -66.089 tors. eta vs tors. theta energy: -74.453 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: 10, replica: 7 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -1088.584718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.584718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.584718 (E_RNA) where: Base-Base interactions energy: -712.327 where: short stacking energy: -310.989 Base-Backbone interact. energy: 1.118 local terms energy: -377.375694 where: bonds (distance) C4'-P energy: -86.376 bonds (distance) P-C4' energy: -94.499 flat angles C4'-P-C4' energy: -85.998 flat angles P-C4'-P energy: -57.466 tors. eta vs tors. theta energy: -53.036 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: 1, replica: 2 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1927.911790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.911790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.911790 (E_RNA) where: Base-Base interactions energy: -1364.573 where: short stacking energy: -558.924 Base-Backbone interact. energy: 1.130 local terms energy: -564.468777 where: bonds (distance) C4'-P energy: -100.268 bonds (distance) P-C4' energy: -111.602 flat angles C4'-P-C4' energy: -115.783 flat angles P-C4'-P energy: -78.889 tors. eta vs tors. theta energy: -157.926 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: 3 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1862.275283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.275283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.275283 (E_RNA) where: Base-Base interactions energy: -1300.546 where: short stacking energy: -549.287 Base-Backbone interact. energy: 0.476 local terms energy: -562.205167 where: bonds (distance) C4'-P energy: -97.452 bonds (distance) P-C4' energy: -109.940 flat angles C4'-P-C4' energy: -119.254 flat angles P-C4'-P energy: -82.159 tors. eta vs tors. theta energy: -153.400 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: 3, replica: 8 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1860.113042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.113042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.113042 (E_RNA) where: Base-Base interactions energy: -1307.924 where: short stacking energy: -526.153 Base-Backbone interact. energy: -1.833 local terms energy: -550.356211 where: bonds (distance) C4'-P energy: -100.008 bonds (distance) P-C4' energy: -112.507 flat angles C4'-P-C4' energy: -110.935 flat angles P-C4'-P energy: -80.047 tors. eta vs tors. theta energy: -146.859 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: 4, replica: 4 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1796.268503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.268503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.268503 (E_RNA) where: Base-Base interactions energy: -1286.317 where: short stacking energy: -528.891 Base-Backbone interact. energy: -1.272 local terms energy: -508.680145 where: bonds (distance) C4'-P energy: -89.527 bonds (distance) P-C4' energy: -94.247 flat angles C4'-P-C4' energy: -108.664 flat angles P-C4'-P energy: -67.789 tors. eta vs tors. theta energy: -148.454 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: 1 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1785.775559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.775559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.775559 (E_RNA) where: Base-Base interactions energy: -1245.427 where: short stacking energy: -513.638 Base-Backbone interact. energy: 0.352 local terms energy: -540.700948 where: bonds (distance) C4'-P energy: -89.652 bonds (distance) P-C4' energy: -112.885 flat angles C4'-P-C4' energy: -113.679 flat angles P-C4'-P energy: -79.061 tors. eta vs tors. theta energy: -145.424 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: 5 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1602.772084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.772084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.772084 (E_RNA) where: Base-Base interactions energy: -1139.799 where: short stacking energy: -476.984 Base-Backbone interact. energy: 1.889 local terms energy: -464.862778 where: bonds (distance) C4'-P energy: -81.803 bonds (distance) P-C4' energy: -100.103 flat angles C4'-P-C4' energy: -98.898 flat angles P-C4'-P energy: -66.142 tors. eta vs tors. theta energy: -117.916 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: 7, replica: 9 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1447.665389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.665389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.665389 (E_RNA) where: Base-Base interactions energy: -983.447 where: short stacking energy: -423.994 Base-Backbone interact. energy: 1.052 local terms energy: -465.270539 where: bonds (distance) C4'-P energy: -96.270 bonds (distance) P-C4' energy: -95.519 flat angles C4'-P-C4' energy: -94.019 flat angles P-C4'-P energy: -66.985 tors. eta vs tors. theta energy: -112.478 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: 6 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1329.440712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.440712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.440712 (E_RNA) where: Base-Base interactions energy: -903.256 where: short stacking energy: -366.001 Base-Backbone interact. energy: 0.738 local terms energy: -426.922788 where: bonds (distance) C4'-P energy: -89.071 bonds (distance) P-C4' energy: -99.101 flat angles C4'-P-C4' energy: -79.262 flat angles P-C4'-P energy: -73.975 tors. eta vs tors. theta energy: -85.514 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: 10 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1140.030962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.030962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.030962 (E_RNA) where: Base-Base interactions energy: -745.288 where: short stacking energy: -338.028 Base-Backbone interact. energy: 3.932 local terms energy: -398.675268 where: bonds (distance) C4'-P energy: -94.584 bonds (distance) P-C4' energy: -92.642 flat angles C4'-P-C4' energy: -90.367 flat angles P-C4'-P energy: -52.278 tors. eta vs tors. theta energy: -68.804 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: 10, replica: 7 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -1087.229041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.229041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.229041 (E_RNA) where: Base-Base interactions energy: -703.105 where: short stacking energy: -308.371 Base-Backbone interact. energy: -0.827 local terms energy: -383.296850 where: bonds (distance) C4'-P energy: -67.631 bonds (distance) P-C4' energy: -107.421 flat angles C4'-P-C4' energy: -75.054 flat angles P-C4'-P energy: -65.417 tors. eta vs tors. theta energy: -67.773 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: 1, replica: 3 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1902.221263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.221263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.221263 (E_RNA) where: Base-Base interactions energy: -1324.901 where: short stacking energy: -551.498 Base-Backbone interact. energy: -1.124 local terms energy: -576.196296 where: bonds (distance) C4'-P energy: -107.089 bonds (distance) P-C4' energy: -114.039 flat angles C4'-P-C4' energy: -113.933 flat angles P-C4'-P energy: -81.200 tors. eta vs tors. theta energy: -159.935 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: 2, replica: 2 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1918.490312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.490312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.490312 (E_RNA) where: Base-Base interactions energy: -1364.605 where: short stacking energy: -568.730 Base-Backbone interact. energy: -1.518 local terms energy: -552.366821 where: bonds (distance) C4'-P energy: -92.083 bonds (distance) P-C4' energy: -98.283 flat angles C4'-P-C4' energy: -125.676 flat angles P-C4'-P energy: -76.181 tors. eta vs tors. theta energy: -160.142 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: 4 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1834.208889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.208889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.208889 (E_RNA) where: Base-Base interactions energy: -1285.585 where: short stacking energy: -546.015 Base-Backbone interact. energy: 2.723 local terms energy: -551.346671 where: bonds (distance) C4'-P energy: -101.104 bonds (distance) P-C4' energy: -101.067 flat angles C4'-P-C4' energy: -114.430 flat angles P-C4'-P energy: -81.522 tors. eta vs tors. theta energy: -153.224 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: 8 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1825.231080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.231080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.231080 (E_RNA) where: Base-Base interactions energy: -1280.461 where: short stacking energy: -529.170 Base-Backbone interact. energy: 0.308 local terms energy: -545.078104 where: bonds (distance) C4'-P energy: -102.583 bonds (distance) P-C4' energy: -101.042 flat angles C4'-P-C4' energy: -117.184 flat angles P-C4'-P energy: -74.653 tors. eta vs tors. theta energy: -149.615 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: 210 Temperature: 1.100000 Total energy: -1756.005733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.005733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.005733 (E_RNA) where: Base-Base interactions energy: -1227.919 where: short stacking energy: -505.866 Base-Backbone interact. energy: 2.701 local terms energy: -530.787000 where: bonds (distance) C4'-P energy: -92.227 bonds (distance) P-C4' energy: -106.876 flat angles C4'-P-C4' energy: -115.658 flat angles P-C4'-P energy: -68.968 tors. eta vs tors. theta energy: -147.057 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: 5 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1603.637408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.637408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.637408 (E_RNA) where: Base-Base interactions energy: -1127.345 where: short stacking energy: -460.537 Base-Backbone interact. energy: 2.592 local terms energy: -478.884232 where: bonds (distance) C4'-P energy: -76.491 bonds (distance) P-C4' energy: -108.052 flat angles C4'-P-C4' energy: -105.805 flat angles P-C4'-P energy: -66.479 tors. eta vs tors. theta energy: -122.056 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: 7, replica: 9 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1405.523085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.523085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.523085 (E_RNA) where: Base-Base interactions energy: -969.863 where: short stacking energy: -410.550 Base-Backbone interact. energy: -1.168 local terms energy: -434.491256 where: bonds (distance) C4'-P energy: -82.146 bonds (distance) P-C4' energy: -103.301 flat angles C4'-P-C4' energy: -107.187 flat angles P-C4'-P energy: -56.695 tors. eta vs tors. theta energy: -85.161 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: 6 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1294.875563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.875563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.875563 (E_RNA) where: Base-Base interactions energy: -860.491 where: short stacking energy: -366.918 Base-Backbone interact. energy: 5.736 local terms energy: -440.120318 where: bonds (distance) C4'-P energy: -86.740 bonds (distance) P-C4' energy: -99.828 flat angles C4'-P-C4' energy: -96.933 flat angles P-C4'-P energy: -74.468 tors. eta vs tors. theta energy: -82.151 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: 9, replica: 7 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1088.705387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.705387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.705387 (E_RNA) where: Base-Base interactions energy: -696.478 where: short stacking energy: -315.783 Base-Backbone interact. energy: 2.576 local terms energy: -394.803789 where: bonds (distance) C4'-P energy: -82.161 bonds (distance) P-C4' energy: -113.663 flat angles C4'-P-C4' energy: -97.764 flat angles P-C4'-P energy: -43.555 tors. eta vs tors. theta energy: -57.661 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: 10 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -1120.262585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.262585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.262585 (E_RNA) where: Base-Base interactions energy: -735.971 where: short stacking energy: -328.590 Base-Backbone interact. energy: 4.058 local terms energy: -388.349630 where: bonds (distance) C4'-P energy: -82.416 bonds (distance) P-C4' energy: -107.080 flat angles C4'-P-C4' energy: -81.625 flat angles P-C4'-P energy: -58.363 tors. eta vs tors. theta energy: -58.865 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: 3 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1882.800413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.800413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.800413 (E_RNA) where: Base-Base interactions energy: -1319.319 where: short stacking energy: -542.006 Base-Backbone interact. energy: -0.927 local terms energy: -562.555319 where: bonds (distance) C4'-P energy: -104.431 bonds (distance) P-C4' energy: -108.172 flat angles C4'-P-C4' energy: -114.932 flat angles P-C4'-P energy: -78.290 tors. eta vs tors. theta energy: -156.730 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: 2, replica: 2 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1908.983279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.983279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.983279 (E_RNA) where: Base-Base interactions energy: -1348.002 where: short stacking energy: -567.164 Base-Backbone interact. energy: -0.909 local terms energy: -560.071673 where: bonds (distance) C4'-P energy: -100.263 bonds (distance) P-C4' energy: -107.256 flat angles C4'-P-C4' energy: -110.022 flat angles P-C4'-P energy: -81.021 tors. eta vs tors. theta energy: -161.509 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: 3, replica: 4 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1824.331234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.331234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.331234 (E_RNA) where: Base-Base interactions energy: -1278.357 where: short stacking energy: -526.255 Base-Backbone interact. energy: -0.378 local terms energy: -545.596470 where: bonds (distance) C4'-P energy: -91.652 bonds (distance) P-C4' energy: -103.809 flat angles C4'-P-C4' energy: -110.521 flat angles P-C4'-P energy: -85.268 tors. eta vs tors. theta energy: -154.347 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: 4, replica: 8 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1812.111065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.111065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.111065 (E_RNA) where: Base-Base interactions energy: -1271.703 where: short stacking energy: -524.283 Base-Backbone interact. energy: -0.614 local terms energy: -539.794860 where: bonds (distance) C4'-P energy: -100.831 bonds (distance) P-C4' energy: -100.066 flat angles C4'-P-C4' energy: -111.357 flat angles P-C4'-P energy: -79.535 tors. eta vs tors. theta energy: -148.006 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: 1 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1758.875906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.875906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.875906 (E_RNA) where: Base-Base interactions energy: -1225.785 where: short stacking energy: -517.697 Base-Backbone interact. energy: 0.894 local terms energy: -533.984792 where: bonds (distance) C4'-P energy: -93.837 bonds (distance) P-C4' energy: -115.719 flat angles C4'-P-C4' energy: -108.535 flat angles P-C4'-P energy: -76.185 tors. eta vs tors. theta energy: -139.710 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: 6, replica: 5 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1599.831623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.831623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.831623 (E_RNA) where: Base-Base interactions energy: -1109.190 where: short stacking energy: -446.659 Base-Backbone interact. energy: 3.981 local terms energy: -494.622403 where: bonds (distance) C4'-P energy: -94.128 bonds (distance) P-C4' energy: -108.885 flat angles C4'-P-C4' energy: -105.849 flat angles P-C4'-P energy: -77.389 tors. eta vs tors. theta energy: -108.371 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: 7, replica: 9 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1462.865429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.865429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.865429 (E_RNA) where: Base-Base interactions energy: -980.089 where: short stacking energy: -432.373 Base-Backbone interact. energy: 0.701 local terms energy: -483.477215 where: bonds (distance) C4'-P energy: -106.164 bonds (distance) P-C4' energy: -107.488 flat angles C4'-P-C4' energy: -94.017 flat angles P-C4'-P energy: -68.390 tors. eta vs tors. theta energy: -107.418 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: 8, replica: 6 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1335.557997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.557997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.557997 (E_RNA) where: Base-Base interactions energy: -894.506 where: short stacking energy: -384.581 Base-Backbone interact. energy: 1.335 local terms energy: -442.387297 where: bonds (distance) C4'-P energy: -83.918 bonds (distance) P-C4' energy: -102.442 flat angles C4'-P-C4' energy: -102.114 flat angles P-C4'-P energy: -63.483 tors. eta vs tors. theta energy: -90.430 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: 9, replica: 7 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1109.178951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.178951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.178951 (E_RNA) where: Base-Base interactions energy: -699.704 where: short stacking energy: -306.173 Base-Backbone interact. energy: -1.476 local terms energy: -407.998750 where: bonds (distance) C4'-P energy: -95.385 bonds (distance) P-C4' energy: -96.456 flat angles C4'-P-C4' energy: -93.695 flat angles P-C4'-P energy: -66.555 tors. eta vs tors. theta energy: -55.908 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: 10, replica: 10 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -1136.946727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.946727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.946727 (E_RNA) where: Base-Base interactions energy: -738.845 where: short stacking energy: -324.433 Base-Backbone interact. energy: 0.786 local terms energy: -398.887593 where: bonds (distance) C4'-P energy: -79.632 bonds (distance) P-C4' energy: -107.484 flat angles C4'-P-C4' energy: -86.949 flat angles P-C4'-P energy: -56.169 tors. eta vs tors. theta energy: -68.653 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: 1, replica: 2 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1942.589941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.589941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.589941 (E_RNA) where: Base-Base interactions energy: -1382.710 where: short stacking energy: -578.316 Base-Backbone interact. energy: -1.621 local terms energy: -558.259439 where: bonds (distance) C4'-P energy: -96.953 bonds (distance) P-C4' energy: -106.623 flat angles C4'-P-C4' energy: -119.063 flat angles P-C4'-P energy: -72.312 tors. eta vs tors. theta energy: -163.309 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: 2, replica: 3 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1873.253456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.253456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.253456 (E_RNA) where: Base-Base interactions energy: -1316.535 where: short stacking energy: -551.094 Base-Backbone interact. energy: -1.765 local terms energy: -554.952741 where: bonds (distance) C4'-P energy: -94.882 bonds (distance) P-C4' energy: -105.582 flat angles C4'-P-C4' energy: -112.591 flat angles P-C4'-P energy: -82.875 tors. eta vs tors. theta energy: -159.023 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: 8 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1838.888484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.888484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.888484 (E_RNA) where: Base-Base interactions energy: -1287.508 where: short stacking energy: -535.235 Base-Backbone interact. energy: 8.110 local terms energy: -559.490623 where: bonds (distance) C4'-P energy: -96.477 bonds (distance) P-C4' energy: -116.337 flat angles C4'-P-C4' energy: -119.976 flat angles P-C4'-P energy: -72.792 tors. eta vs tors. theta energy: -153.909 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: 4, replica: 4 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1785.954030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.954030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.954030 (E_RNA) where: Base-Base interactions energy: -1247.401 where: short stacking energy: -509.123 Base-Backbone interact. energy: -0.036 local terms energy: -538.517004 where: bonds (distance) C4'-P energy: -94.386 bonds (distance) P-C4' energy: -115.033 flat angles C4'-P-C4' energy: -106.185 flat angles P-C4'-P energy: -76.445 tors. eta vs tors. theta energy: -146.467 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: 1 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1740.711702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.711702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.711702 (E_RNA) where: Base-Base interactions energy: -1237.040 where: short stacking energy: -502.234 Base-Backbone interact. energy: 2.209 local terms energy: -505.880521 where: bonds (distance) C4'-P energy: -81.461 bonds (distance) P-C4' energy: -97.190 flat angles C4'-P-C4' energy: -117.391 flat angles P-C4'-P energy: -70.894 tors. eta vs tors. theta energy: -138.945 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: 6, replica: 5 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1631.467224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.467224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.467224 (E_RNA) where: Base-Base interactions energy: -1126.214 where: short stacking energy: -459.686 Base-Backbone interact. energy: -0.449 local terms energy: -504.803892 where: bonds (distance) C4'-P energy: -99.463 bonds (distance) P-C4' energy: -92.271 flat angles C4'-P-C4' energy: -111.962 flat angles P-C4'-P energy: -72.651 tors. eta vs tors. theta energy: -128.458 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: 7, replica: 9 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1468.755752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.755752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.755752 (E_RNA) where: Base-Base interactions energy: -991.502 where: short stacking energy: -413.862 Base-Backbone interact. energy: -1.910 local terms energy: -475.343476 where: bonds (distance) C4'-P energy: -90.110 bonds (distance) P-C4' energy: -112.352 flat angles C4'-P-C4' energy: -103.358 flat angles P-C4'-P energy: -56.884 tors. eta vs tors. theta energy: -112.639 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: 6 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1336.761186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.761186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.761186 (E_RNA) where: Base-Base interactions energy: -921.941 where: short stacking energy: -390.205 Base-Backbone interact. energy: 3.311 local terms energy: -418.130877 where: bonds (distance) C4'-P energy: -85.110 bonds (distance) P-C4' energy: -91.507 flat angles C4'-P-C4' energy: -84.837 flat angles P-C4'-P energy: -67.155 tors. eta vs tors. theta energy: -89.522 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: 10 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1142.512559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.512559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.512559 (E_RNA) where: Base-Base interactions energy: -730.906 where: short stacking energy: -332.852 Base-Backbone interact. energy: -2.624 local terms energy: -408.982925 where: bonds (distance) C4'-P energy: -87.422 bonds (distance) P-C4' energy: -109.102 flat angles C4'-P-C4' energy: -91.067 flat angles P-C4'-P energy: -56.594 tors. eta vs tors. theta energy: -64.797 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: 7 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -1114.630800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.630800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.630800 (E_RNA) where: Base-Base interactions energy: -728.710 where: short stacking energy: -330.853 Base-Backbone interact. energy: 3.654 local terms energy: -389.574548 where: bonds (distance) C4'-P energy: -78.973 bonds (distance) P-C4' energy: -96.869 flat angles C4'-P-C4' energy: -84.630 flat angles P-C4'-P energy: -59.322 tors. eta vs tors. theta energy: -69.782 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: 2 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1923.797413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.797413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.797413 (E_RNA) where: Base-Base interactions energy: -1350.648 where: short stacking energy: -553.880 Base-Backbone interact. energy: -2.151 local terms energy: -570.997949 where: bonds (distance) C4'-P energy: -102.477 bonds (distance) P-C4' energy: -108.497 flat angles C4'-P-C4' energy: -115.314 flat angles P-C4'-P energy: -85.285 tors. eta vs tors. theta energy: -159.424 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: 2, replica: 8 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1859.191566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.191566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.191566 (E_RNA) where: Base-Base interactions energy: -1304.840 where: short stacking energy: -544.414 Base-Backbone interact. energy: 6.579 local terms energy: -560.930570 where: bonds (distance) C4'-P energy: -93.920 bonds (distance) P-C4' energy: -111.175 flat angles C4'-P-C4' energy: -121.418 flat angles P-C4'-P energy: -79.347 tors. eta vs tors. theta energy: -155.071 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: 3, replica: 3 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1841.060115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.060115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.060115 (E_RNA) where: Base-Base interactions energy: -1286.227 where: short stacking energy: -538.942 Base-Backbone interact. energy: -1.539 local terms energy: -553.293478 where: bonds (distance) C4'-P energy: -103.389 bonds (distance) P-C4' energy: -115.646 flat angles C4'-P-C4' energy: -110.702 flat angles P-C4'-P energy: -67.480 tors. eta vs tors. theta energy: -156.077 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: 4, replica: 4 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1797.022680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.022680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.022680 (E_RNA) where: Base-Base interactions energy: -1250.489 where: short stacking energy: -514.851 Base-Backbone interact. energy: 1.329 local terms energy: -547.862471 where: bonds (distance) C4'-P energy: -99.901 bonds (distance) P-C4' energy: -109.474 flat angles C4'-P-C4' energy: -120.145 flat angles P-C4'-P energy: -73.026 tors. eta vs tors. theta energy: -145.317 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: 1 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1746.415997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.415997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.415997 (E_RNA) where: Base-Base interactions energy: -1232.966 where: short stacking energy: -497.867 Base-Backbone interact. energy: -1.120 local terms energy: -512.330415 where: bonds (distance) C4'-P energy: -90.183 bonds (distance) P-C4' energy: -110.964 flat angles C4'-P-C4' energy: -103.795 flat angles P-C4'-P energy: -68.625 tors. eta vs tors. theta energy: -138.764 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: 5 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1611.961083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.961083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.961083 (E_RNA) where: Base-Base interactions energy: -1110.123 where: short stacking energy: -463.660 Base-Backbone interact. energy: 1.602 local terms energy: -503.439700 where: bonds (distance) C4'-P energy: -100.874 bonds (distance) P-C4' energy: -114.120 flat angles C4'-P-C4' energy: -106.928 flat angles P-C4'-P energy: -62.298 tors. eta vs tors. theta energy: -119.220 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: 7, replica: 9 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1446.674794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.674794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.674794 (E_RNA) where: Base-Base interactions energy: -998.582 where: short stacking energy: -427.539 Base-Backbone interact. energy: 11.072 local terms energy: -459.165339 where: bonds (distance) C4'-P energy: -80.507 bonds (distance) P-C4' energy: -103.321 flat angles C4'-P-C4' energy: -96.105 flat angles P-C4'-P energy: -68.074 tors. eta vs tors. theta energy: -111.158 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: 8, replica: 6 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1359.943663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.943663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.943663 (E_RNA) where: Base-Base interactions energy: -914.512 where: short stacking energy: -383.495 Base-Backbone interact. energy: -0.149 local terms energy: -445.282966 where: bonds (distance) C4'-P energy: -89.362 bonds (distance) P-C4' energy: -107.000 flat angles C4'-P-C4' energy: -93.627 flat angles P-C4'-P energy: -69.743 tors. eta vs tors. theta energy: -85.551 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: 10 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1146.930376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.930376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.930376 (E_RNA) where: Base-Base interactions energy: -747.579 where: short stacking energy: -324.533 Base-Backbone interact. energy: -1.917 local terms energy: -397.434884 where: bonds (distance) C4'-P energy: -71.323 bonds (distance) P-C4' energy: -106.591 flat angles C4'-P-C4' energy: -95.281 flat angles P-C4'-P energy: -61.132 tors. eta vs tors. theta energy: -63.108 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: 7 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -1084.814877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.814877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.814877 (E_RNA) where: Base-Base interactions energy: -715.826 where: short stacking energy: -329.123 Base-Backbone interact. energy: 4.784 local terms energy: -373.772756 where: bonds (distance) C4'-P energy: -66.159 bonds (distance) P-C4' energy: -98.343 flat angles C4'-P-C4' energy: -87.255 flat angles P-C4'-P energy: -62.152 tors. eta vs tors. theta energy: -59.864 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: 1, replica: 2 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1919.243678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.243678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.243678 (E_RNA) where: Base-Base interactions energy: -1341.820 where: short stacking energy: -560.981 Base-Backbone interact. energy: -0.868 local terms energy: -576.555251 where: bonds (distance) C4'-P energy: -101.309 bonds (distance) P-C4' energy: -101.919 flat angles C4'-P-C4' energy: -121.775 flat angles P-C4'-P energy: -85.757 tors. eta vs tors. theta energy: -165.795 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: 2, replica: 8 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1901.785318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.785318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.785318 (E_RNA) where: Base-Base interactions energy: -1349.784 where: short stacking energy: -555.317 Base-Backbone interact. energy: 3.876 local terms energy: -555.877278 where: bonds (distance) C4'-P energy: -95.016 bonds (distance) P-C4' energy: -110.063 flat angles C4'-P-C4' energy: -115.179 flat angles P-C4'-P energy: -78.106 tors. eta vs tors. theta energy: -157.513 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: 3, replica: 3 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1829.005106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.005106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.005106 (E_RNA) where: Base-Base interactions energy: -1279.271 where: short stacking energy: -520.665 Base-Backbone interact. energy: 2.653 local terms energy: -552.387010 where: bonds (distance) C4'-P energy: -97.065 bonds (distance) P-C4' energy: -107.739 flat angles C4'-P-C4' energy: -116.507 flat angles P-C4'-P energy: -80.371 tors. eta vs tors. theta energy: -150.705 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: 4, replica: 4 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1825.512421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.512421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.512421 (E_RNA) where: Base-Base interactions energy: -1276.036 where: short stacking energy: -519.583 Base-Backbone interact. energy: 0.357 local terms energy: -549.833644 where: bonds (distance) C4'-P energy: -92.273 bonds (distance) P-C4' energy: -111.538 flat angles C4'-P-C4' energy: -120.588 flat angles P-C4'-P energy: -78.955 tors. eta vs tors. theta energy: -146.480 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: 1 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1745.995490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.995490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.995490 (E_RNA) where: Base-Base interactions energy: -1225.228 where: short stacking energy: -500.096 Base-Backbone interact. energy: -1.725 local terms energy: -519.042842 where: bonds (distance) C4'-P energy: -88.752 bonds (distance) P-C4' energy: -99.968 flat angles C4'-P-C4' energy: -113.219 flat angles P-C4'-P energy: -72.216 tors. eta vs tors. theta energy: -144.888 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: 5 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1643.472875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.472875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.472875 (E_RNA) where: Base-Base interactions energy: -1131.154 where: short stacking energy: -469.145 Base-Backbone interact. energy: 1.194 local terms energy: -513.512098 where: bonds (distance) C4'-P energy: -102.231 bonds (distance) P-C4' energy: -93.110 flat angles C4'-P-C4' energy: -113.726 flat angles P-C4'-P energy: -71.580 tors. eta vs tors. theta energy: -132.864 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: 7, replica: 9 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1466.573434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.573434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.573434 (E_RNA) where: Base-Base interactions energy: -999.576 where: short stacking energy: -421.915 Base-Backbone interact. energy: 5.598 local terms energy: -472.594983 where: bonds (distance) C4'-P energy: -83.058 bonds (distance) P-C4' energy: -110.594 flat angles C4'-P-C4' energy: -106.214 flat angles P-C4'-P energy: -69.048 tors. eta vs tors. theta energy: -103.681 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: 8, replica: 6 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1309.408444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.408444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.408444 (E_RNA) where: Base-Base interactions energy: -860.638 where: short stacking energy: -379.684 Base-Backbone interact. energy: -1.612 local terms energy: -447.158134 where: bonds (distance) C4'-P energy: -86.593 bonds (distance) P-C4' energy: -112.092 flat angles C4'-P-C4' energy: -103.724 flat angles P-C4'-P energy: -58.836 tors. eta vs tors. theta energy: -85.913 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: 9, replica: 7 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1116.451464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.451464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.451464 (E_RNA) where: Base-Base interactions energy: -717.930 where: short stacking energy: -341.134 Base-Backbone interact. energy: 0.178 local terms energy: -398.699779 where: bonds (distance) C4'-P energy: -87.382 bonds (distance) P-C4' energy: -91.387 flat angles C4'-P-C4' energy: -90.438 flat angles P-C4'-P energy: -64.609 tors. eta vs tors. theta energy: -64.885 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: 10, replica: 10 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -1141.276327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.276327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.276327 (E_RNA) where: Base-Base interactions energy: -764.086 where: short stacking energy: -348.008 Base-Backbone interact. energy: 8.761 local terms energy: -385.951564 where: bonds (distance) C4'-P energy: -74.548 bonds (distance) P-C4' energy: -89.341 flat angles C4'-P-C4' energy: -100.277 flat angles P-C4'-P energy: -57.332 tors. eta vs tors. theta energy: -64.453 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: 2 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1926.777761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.777761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.777761 (E_RNA) where: Base-Base interactions energy: -1353.565 where: short stacking energy: -557.377 Base-Backbone interact. energy: -3.002 local terms energy: -570.210505 where: bonds (distance) C4'-P energy: -97.332 bonds (distance) P-C4' energy: -109.711 flat angles C4'-P-C4' energy: -119.711 flat angles P-C4'-P energy: -85.023 tors. eta vs tors. theta energy: -158.434 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: 2, replica: 8 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1894.109161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.109161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.109161 (E_RNA) where: Base-Base interactions energy: -1334.722 where: short stacking energy: -553.924 Base-Backbone interact. energy: -1.194 local terms energy: -558.192817 where: bonds (distance) C4'-P energy: -92.812 bonds (distance) P-C4' energy: -114.820 flat angles C4'-P-C4' energy: -117.676 flat angles P-C4'-P energy: -77.866 tors. eta vs tors. theta energy: -155.020 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: 215 Temperature: 1.000000 Total energy: -1876.746825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.746825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.746825 (E_RNA) where: Base-Base interactions energy: -1293.349 where: short stacking energy: -546.455 Base-Backbone interact. energy: -1.758 local terms energy: -581.639910 where: bonds (distance) C4'-P energy: -97.655 bonds (distance) P-C4' energy: -112.721 flat angles C4'-P-C4' energy: -123.005 flat angles P-C4'-P energy: -86.643 tors. eta vs tors. theta energy: -161.616 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: 1 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1802.736583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.736583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.736583 (E_RNA) where: Base-Base interactions energy: -1271.259 where: short stacking energy: -517.178 Base-Backbone interact. energy: 0.126 local terms energy: -531.603778 where: bonds (distance) C4'-P energy: -90.643 bonds (distance) P-C4' energy: -108.267 flat angles C4'-P-C4' energy: -113.366 flat angles P-C4'-P energy: -74.030 tors. eta vs tors. theta energy: -145.298 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: 5, replica: 4 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1776.366900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.366900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.366900 (E_RNA) where: Base-Base interactions energy: -1252.163 where: short stacking energy: -510.033 Base-Backbone interact. energy: -2.082 local terms energy: -522.121511 where: bonds (distance) C4'-P energy: -94.142 bonds (distance) P-C4' energy: -106.134 flat angles C4'-P-C4' energy: -114.676 flat angles P-C4'-P energy: -65.976 tors. eta vs tors. theta energy: -141.194 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: 6, replica: 5 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1669.266938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.266938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.266938 (E_RNA) where: Base-Base interactions energy: -1162.001 where: short stacking energy: -494.193 Base-Backbone interact. energy: 2.231 local terms energy: -509.496722 where: bonds (distance) C4'-P energy: -98.292 bonds (distance) P-C4' energy: -107.081 flat angles C4'-P-C4' energy: -107.837 flat angles P-C4'-P energy: -63.008 tors. eta vs tors. theta energy: -133.279 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: 7, replica: 9 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1437.741937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.741937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.741937 (E_RNA) where: Base-Base interactions energy: -997.991 where: short stacking energy: -416.317 Base-Backbone interact. energy: 2.520 local terms energy: -442.270224 where: bonds (distance) C4'-P energy: -71.695 bonds (distance) P-C4' energy: -102.272 flat angles C4'-P-C4' energy: -99.403 flat angles P-C4'-P energy: -64.661 tors. eta vs tors. theta energy: -104.239 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: 8, replica: 6 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1330.157845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.157845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.157845 (E_RNA) where: Base-Base interactions energy: -903.646 where: short stacking energy: -378.951 Base-Backbone interact. energy: 3.580 local terms energy: -430.091699 where: bonds (distance) C4'-P energy: -94.369 bonds (distance) P-C4' energy: -104.492 flat angles C4'-P-C4' energy: -94.238 flat angles P-C4'-P energy: -71.080 tors. eta vs tors. theta energy: -65.913 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: 9, replica: 7 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1139.202728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.202728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.202728 (E_RNA) where: Base-Base interactions energy: -736.544 where: short stacking energy: -317.681 Base-Backbone interact. energy: 1.234 local terms energy: -403.892447 where: bonds (distance) C4'-P energy: -84.887 bonds (distance) P-C4' energy: -97.336 flat angles C4'-P-C4' energy: -101.458 flat angles P-C4'-P energy: -60.041 tors. eta vs tors. theta energy: -60.170 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: 10 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -1193.197407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.197407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.197407 (E_RNA) where: Base-Base interactions energy: -800.656 where: short stacking energy: -328.427 Base-Backbone interact. energy: 0.399 local terms energy: -392.940997 where: bonds (distance) C4'-P energy: -80.899 bonds (distance) P-C4' energy: -95.844 flat angles C4'-P-C4' energy: -93.310 flat angles P-C4'-P energy: -55.527 tors. eta vs tors. theta energy: -67.361 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: 1, replica: 2 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1908.799727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.799727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.799727 (E_RNA) where: Base-Base interactions energy: -1338.232 where: short stacking energy: -558.780 Base-Backbone interact. energy: -1.269 local terms energy: -569.298364 where: bonds (distance) C4'-P energy: -97.921 bonds (distance) P-C4' energy: -109.790 flat angles C4'-P-C4' energy: -119.824 flat angles P-C4'-P energy: -80.610 tors. eta vs tors. theta energy: -161.153 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: 2, replica: 8 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1883.658019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.658019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.658019 (E_RNA) where: Base-Base interactions energy: -1320.265 where: short stacking energy: -535.875 Base-Backbone interact. energy: -0.922 local terms energy: -562.471036 where: bonds (distance) C4'-P energy: -99.230 bonds (distance) P-C4' energy: -112.539 flat angles C4'-P-C4' energy: -109.531 flat angles P-C4'-P energy: -83.621 tors. eta vs tors. theta energy: -157.550 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: 3 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1829.237894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.237894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.237894 (E_RNA) where: Base-Base interactions energy: -1278.505 where: short stacking energy: -528.284 Base-Backbone interact. energy: 3.226 local terms energy: -553.959701 where: bonds (distance) C4'-P energy: -103.698 bonds (distance) P-C4' energy: -102.792 flat angles C4'-P-C4' energy: -113.340 flat angles P-C4'-P energy: -74.035 tors. eta vs tors. theta energy: -160.095 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: 4, replica: 1 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1813.031223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.031223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.031223 (E_RNA) where: Base-Base interactions energy: -1281.991 where: short stacking energy: -512.168 Base-Backbone interact. energy: -1.829 local terms energy: -529.210379 where: bonds (distance) C4'-P energy: -91.382 bonds (distance) P-C4' energy: -108.651 flat angles C4'-P-C4' energy: -109.166 flat angles P-C4'-P energy: -77.375 tors. eta vs tors. theta energy: -142.637 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: 5, replica: 4 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1749.378941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.378941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.378941 (E_RNA) where: Base-Base interactions energy: -1216.397 where: short stacking energy: -510.170 Base-Backbone interact. energy: 0.090 local terms energy: -533.071883 where: bonds (distance) C4'-P energy: -84.866 bonds (distance) P-C4' energy: -112.273 flat angles C4'-P-C4' energy: -115.706 flat angles P-C4'-P energy: -73.906 tors. eta vs tors. theta energy: -146.321 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: 5 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1614.886217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.886217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.886217 (E_RNA) where: Base-Base interactions energy: -1125.247 where: short stacking energy: -465.233 Base-Backbone interact. energy: 2.887 local terms energy: -492.526381 where: bonds (distance) C4'-P energy: -91.592 bonds (distance) P-C4' energy: -102.436 flat angles C4'-P-C4' energy: -105.932 flat angles P-C4'-P energy: -73.523 tors. eta vs tors. theta energy: -119.044 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: 6 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1381.583767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.583767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.583767 (E_RNA) where: Base-Base interactions energy: -939.306 where: short stacking energy: -388.304 Base-Backbone interact. energy: -4.365 local terms energy: -437.912868 where: bonds (distance) C4'-P energy: -79.840 bonds (distance) P-C4' energy: -116.570 flat angles C4'-P-C4' energy: -95.921 flat angles P-C4'-P energy: -52.106 tors. eta vs tors. theta energy: -93.475 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: 8, replica: 9 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1328.439231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.439231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.439231 (E_RNA) where: Base-Base interactions energy: -909.812 where: short stacking energy: -392.598 Base-Backbone interact. energy: 3.155 local terms energy: -421.782292 where: bonds (distance) C4'-P energy: -80.109 bonds (distance) P-C4' energy: -97.374 flat angles C4'-P-C4' energy: -92.686 flat angles P-C4'-P energy: -61.634 tors. eta vs tors. theta energy: -89.979 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: 9, replica: 10 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1207.759263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.759263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.759263 (E_RNA) where: Base-Base interactions energy: -779.967 where: short stacking energy: -339.259 Base-Backbone interact. energy: 3.956 local terms energy: -431.748215 where: bonds (distance) C4'-P energy: -92.571 bonds (distance) P-C4' energy: -109.012 flat angles C4'-P-C4' energy: -95.196 flat angles P-C4'-P energy: -60.308 tors. eta vs tors. theta energy: -74.661 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: 7 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -1093.001499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.001499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.001499 (E_RNA) where: Base-Base interactions energy: -699.661 where: short stacking energy: -306.830 Base-Backbone interact. energy: -2.445 local terms energy: -390.895124 where: bonds (distance) C4'-P energy: -94.364 bonds (distance) P-C4' energy: -94.819 flat angles C4'-P-C4' energy: -84.436 flat angles P-C4'-P energy: -46.939 tors. eta vs tors. theta energy: -70.337 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: 1, replica: 2 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1924.454477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.454477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.454477 (E_RNA) where: Base-Base interactions energy: -1364.598 where: short stacking energy: -561.611 Base-Backbone interact. energy: 2.712 local terms energy: -562.568159 where: bonds (distance) C4'-P energy: -96.739 bonds (distance) P-C4' energy: -111.996 flat angles C4'-P-C4' energy: -113.672 flat angles P-C4'-P energy: -82.357 tors. eta vs tors. theta energy: -157.803 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: 2, replica: 3 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1881.057458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.057458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.057458 (E_RNA) where: Base-Base interactions energy: -1316.408 where: short stacking energy: -545.885 Base-Backbone interact. energy: -1.043 local terms energy: -563.606009 where: bonds (distance) C4'-P energy: -90.522 bonds (distance) P-C4' energy: -109.955 flat angles C4'-P-C4' energy: -120.010 flat angles P-C4'-P energy: -82.312 tors. eta vs tors. theta energy: -160.807 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: 8 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1871.514004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.514004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.514004 (E_RNA) where: Base-Base interactions energy: -1311.845 where: short stacking energy: -534.235 Base-Backbone interact. energy: -0.240 local terms energy: -559.428504 where: bonds (distance) C4'-P energy: -93.814 bonds (distance) P-C4' energy: -115.476 flat angles C4'-P-C4' energy: -117.935 flat angles P-C4'-P energy: -78.085 tors. eta vs tors. theta energy: -154.118 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: 1 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1787.798349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.798349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.798349 (E_RNA) where: Base-Base interactions energy: -1269.582 where: short stacking energy: -527.671 Base-Backbone interact. energy: -0.842 local terms energy: -517.374344 where: bonds (distance) C4'-P energy: -81.264 bonds (distance) P-C4' energy: -102.368 flat angles C4'-P-C4' energy: -110.741 flat angles P-C4'-P energy: -73.233 tors. eta vs tors. theta energy: -149.769 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: 5, replica: 4 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1739.335318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.335318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.335318 (E_RNA) where: Base-Base interactions energy: -1215.885 where: short stacking energy: -498.362 Base-Backbone interact. energy: -3.358 local terms energy: -520.091902 where: bonds (distance) C4'-P energy: -102.533 bonds (distance) P-C4' energy: -97.286 flat angles C4'-P-C4' energy: -103.750 flat angles P-C4'-P energy: -81.731 tors. eta vs tors. theta energy: -134.793 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: 5 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1625.516044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.516044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.516044 (E_RNA) where: Base-Base interactions energy: -1133.230 where: short stacking energy: -466.061 Base-Backbone interact. energy: 0.885 local terms energy: -493.171338 where: bonds (distance) C4'-P energy: -100.479 bonds (distance) P-C4' energy: -102.499 flat angles C4'-P-C4' energy: -104.211 flat angles P-C4'-P energy: -65.658 tors. eta vs tors. theta energy: -120.323 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: 6 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1364.669467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.669467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.669467 (E_RNA) where: Base-Base interactions energy: -914.637 where: short stacking energy: -389.405 Base-Backbone interact. energy: 1.287 local terms energy: -451.320047 where: bonds (distance) C4'-P energy: -86.597 bonds (distance) P-C4' energy: -113.120 flat angles C4'-P-C4' energy: -95.347 flat angles P-C4'-P energy: -61.301 tors. eta vs tors. theta energy: -94.955 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: 9 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1377.588589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.588589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.588589 (E_RNA) where: Base-Base interactions energy: -938.055 where: short stacking energy: -411.760 Base-Backbone interact. energy: -2.328 local terms energy: -437.205763 where: bonds (distance) C4'-P energy: -81.552 bonds (distance) P-C4' energy: -98.758 flat angles C4'-P-C4' energy: -100.498 flat angles P-C4'-P energy: -56.094 tors. eta vs tors. theta energy: -100.304 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: 10 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1207.695341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.695341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.695341 (E_RNA) where: Base-Base interactions energy: -805.652 where: short stacking energy: -353.453 Base-Backbone interact. energy: 1.873 local terms energy: -403.915528 where: bonds (distance) C4'-P energy: -86.693 bonds (distance) P-C4' energy: -96.376 flat angles C4'-P-C4' energy: -84.928 flat angles P-C4'-P energy: -61.097 tors. eta vs tors. theta energy: -74.821 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: 7 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -1102.999921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.999921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.999921 (E_RNA) where: Base-Base interactions energy: -728.602 where: short stacking energy: -324.648 Base-Backbone interact. energy: -0.931 local terms energy: -373.467654 where: bonds (distance) C4'-P energy: -80.069 bonds (distance) P-C4' energy: -96.164 flat angles C4'-P-C4' energy: -75.118 flat angles P-C4'-P energy: -67.715 tors. eta vs tors. theta energy: -54.401 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: 2 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1928.916833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.916833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.916833 (E_RNA) where: Base-Base interactions energy: -1360.978 where: short stacking energy: -554.779 Base-Backbone interact. energy: -0.383 local terms energy: -567.555546 where: bonds (distance) C4'-P energy: -89.492 bonds (distance) P-C4' energy: -113.303 flat angles C4'-P-C4' energy: -120.421 flat angles P-C4'-P energy: -83.962 tors. eta vs tors. theta energy: -160.378 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: 2, replica: 3 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1863.201821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.201821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.201821 (E_RNA) where: Base-Base interactions energy: -1288.489 where: short stacking energy: -552.320 Base-Backbone interact. energy: -1.202 local terms energy: -573.511461 where: bonds (distance) C4'-P energy: -100.245 bonds (distance) P-C4' energy: -111.557 flat angles C4'-P-C4' energy: -118.509 flat angles P-C4'-P energy: -84.353 tors. eta vs tors. theta energy: -158.847 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: 8 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1860.863365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.863365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.863365 (E_RNA) where: Base-Base interactions energy: -1288.637 where: short stacking energy: -544.151 Base-Backbone interact. energy: -2.546 local terms energy: -569.680160 where: bonds (distance) C4'-P energy: -102.100 bonds (distance) P-C4' energy: -111.802 flat angles C4'-P-C4' energy: -120.038 flat angles P-C4'-P energy: -84.557 tors. eta vs tors. theta energy: -151.182 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: 1 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1799.377651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.377651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.377651 (E_RNA) where: Base-Base interactions energy: -1271.841 where: short stacking energy: -526.324 Base-Backbone interact. energy: 4.788 local terms energy: -532.324521 where: bonds (distance) C4'-P energy: -101.770 bonds (distance) P-C4' energy: -101.532 flat angles C4'-P-C4' energy: -107.099 flat angles P-C4'-P energy: -70.943 tors. eta vs tors. theta energy: -150.981 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: 5, replica: 4 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1764.639904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.639904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.639904 (E_RNA) where: Base-Base interactions energy: -1251.942 where: short stacking energy: -512.414 Base-Backbone interact. energy: -1.940 local terms energy: -510.757578 where: bonds (distance) C4'-P energy: -89.869 bonds (distance) P-C4' energy: -102.245 flat angles C4'-P-C4' energy: -104.939 flat angles P-C4'-P energy: -73.031 tors. eta vs tors. theta energy: -140.674 Dist. restrs. and SS energy: 0.000 (S_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: 218 Temperature: 1.150000 Total energy: -1635.380755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.380755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.380755 (E_RNA) where: Base-Base interactions energy: -1121.323 where: short stacking energy: -473.488 Base-Backbone interact. energy: -0.438 local terms energy: -513.619473 where: bonds (distance) C4'-P energy: -84.594 bonds (distance) P-C4' energy: -99.863 flat angles C4'-P-C4' energy: -116.065 flat angles P-C4'-P energy: -79.836 tors. eta vs tors. theta energy: -133.262 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: 7, replica: 6 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1351.746805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.746805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.746805 (E_RNA) where: Base-Base interactions energy: -906.862 where: short stacking energy: -396.384 Base-Backbone interact. energy: -0.854 local terms energy: -444.030203 where: bonds (distance) C4'-P energy: -93.682 bonds (distance) P-C4' energy: -105.064 flat angles C4'-P-C4' energy: -103.758 flat angles P-C4'-P energy: -58.120 tors. eta vs tors. theta energy: -83.406 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: 8, replica: 9 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1333.099991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.099991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.099991 (E_RNA) where: Base-Base interactions energy: -896.992 where: short stacking energy: -386.843 Base-Backbone interact. energy: 2.278 local terms energy: -438.386843 where: bonds (distance) C4'-P energy: -86.581 bonds (distance) P-C4' energy: -102.083 flat angles C4'-P-C4' energy: -98.897 flat angles P-C4'-P energy: -62.126 tors. eta vs tors. theta energy: -88.701 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: 9, replica: 10 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1229.924044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.924044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.924044 (E_RNA) where: Base-Base interactions energy: -821.813 where: short stacking energy: -356.599 Base-Backbone interact. energy: 0.157 local terms energy: -408.267888 where: bonds (distance) C4'-P energy: -89.689 bonds (distance) P-C4' energy: -91.107 flat angles C4'-P-C4' energy: -88.751 flat angles P-C4'-P energy: -61.907 tors. eta vs tors. theta energy: -76.814 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: 7 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -1110.575410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.575410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.575410 (E_RNA) where: Base-Base interactions energy: -740.207 where: short stacking energy: -326.690 Base-Backbone interact. energy: 0.909 local terms energy: -371.277119 where: bonds (distance) C4'-P energy: -66.811 bonds (distance) P-C4' energy: -93.170 flat angles C4'-P-C4' energy: -83.946 flat angles P-C4'-P energy: -62.549 tors. eta vs tors. theta energy: -64.800 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: 2 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1924.442311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.442311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.442311 (E_RNA) where: Base-Base interactions energy: -1355.737 where: short stacking energy: -548.429 Base-Backbone interact. energy: -0.490 local terms energy: -568.215473 where: bonds (distance) C4'-P energy: -113.087 bonds (distance) P-C4' energy: -105.647 flat angles C4'-P-C4' energy: -114.469 flat angles P-C4'-P energy: -84.112 tors. eta vs tors. theta energy: -150.900 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: 8 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1881.903001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.903001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.903001 (E_RNA) where: Base-Base interactions energy: -1326.212 where: short stacking energy: -547.290 Base-Backbone interact. energy: 2.761 local terms energy: -558.452473 where: bonds (distance) C4'-P energy: -107.814 bonds (distance) P-C4' energy: -101.564 flat angles C4'-P-C4' energy: -120.108 flat angles P-C4'-P energy: -69.816 tors. eta vs tors. theta energy: -159.151 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: 3, replica: 3 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1838.671579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.671579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.671579 (E_RNA) where: Base-Base interactions energy: -1282.510 where: short stacking energy: -526.692 Base-Backbone interact. energy: 0.530 local terms energy: -556.691605 where: bonds (distance) C4'-P energy: -101.419 bonds (distance) P-C4' energy: -108.691 flat angles C4'-P-C4' energy: -119.805 flat angles P-C4'-P energy: -76.475 tors. eta vs tors. theta energy: -150.301 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: 1 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1813.904701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.904701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.904701 (E_RNA) where: Base-Base interactions energy: -1272.370 where: short stacking energy: -514.591 Base-Backbone interact. energy: 0.010 local terms energy: -541.544759 where: bonds (distance) C4'-P energy: -92.277 bonds (distance) P-C4' energy: -104.552 flat angles C4'-P-C4' energy: -112.554 flat angles P-C4'-P energy: -80.546 tors. eta vs tors. theta energy: -151.615 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: 219 Temperature: 1.100000 Total energy: -1744.878792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.878792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.878792 (E_RNA) where: Base-Base interactions energy: -1225.520 where: short stacking energy: -496.425 Base-Backbone interact. energy: -1.929 local terms energy: -517.429575 where: bonds (distance) C4'-P energy: -89.904 bonds (distance) P-C4' energy: -104.720 flat angles C4'-P-C4' energy: -111.307 flat angles P-C4'-P energy: -76.870 tors. eta vs tors. theta energy: -134.629 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: 6, replica: 5 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1631.259099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.259099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.259099 (E_RNA) where: Base-Base interactions energy: -1133.724 where: short stacking energy: -471.945 Base-Backbone interact. energy: -1.374 local terms energy: -496.160613 where: bonds (distance) C4'-P energy: -74.838 bonds (distance) P-C4' energy: -114.787 flat angles C4'-P-C4' energy: -100.233 flat angles P-C4'-P energy: -81.896 tors. eta vs tors. theta energy: -124.406 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: 7, replica: 6 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1427.585509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.585509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.585509 (E_RNA) where: Base-Base interactions energy: -969.757 where: short stacking energy: -410.841 Base-Backbone interact. energy: 1.940 local terms energy: -459.768738 where: bonds (distance) C4'-P energy: -69.504 bonds (distance) P-C4' energy: -113.389 flat angles C4'-P-C4' energy: -101.932 flat angles P-C4'-P energy: -70.854 tors. eta vs tors. theta energy: -104.091 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: 8, replica: 9 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1383.525979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.525979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.525979 (E_RNA) where: Base-Base interactions energy: -932.474 where: short stacking energy: -385.752 Base-Backbone interact. energy: -0.021 local terms energy: -451.031105 where: bonds (distance) C4'-P energy: -101.095 bonds (distance) P-C4' energy: -101.794 flat angles C4'-P-C4' energy: -84.618 flat angles P-C4'-P energy: -64.327 tors. eta vs tors. theta energy: -99.196 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: 10 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1214.186897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.186897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.186897 (E_RNA) where: Base-Base interactions energy: -786.772 where: short stacking energy: -330.239 Base-Backbone interact. energy: -2.098 local terms energy: -425.317500 where: bonds (distance) C4'-P energy: -82.668 bonds (distance) P-C4' energy: -106.958 flat angles C4'-P-C4' energy: -93.630 flat angles P-C4'-P energy: -66.756 tors. eta vs tors. theta energy: -75.306 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: 7 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -1109.946187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.946187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.946187 (E_RNA) where: Base-Base interactions energy: -719.764 where: short stacking energy: -302.640 Base-Backbone interact. energy: 1.920 local terms energy: -392.102394 where: bonds (distance) C4'-P energy: -86.414 bonds (distance) P-C4' energy: -92.480 flat angles C4'-P-C4' energy: -88.826 flat angles P-C4'-P energy: -68.445 tors. eta vs tors. theta energy: -55.938 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: 8 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1918.119126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.119126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.119126 (E_RNA) where: Base-Base interactions energy: -1343.044 where: short stacking energy: -562.314 Base-Backbone interact. energy: -1.618 local terms energy: -573.457607 where: bonds (distance) C4'-P energy: -98.321 bonds (distance) P-C4' energy: -120.549 flat angles C4'-P-C4' energy: -120.797 flat angles P-C4'-P energy: -75.650 tors. eta vs tors. theta energy: -158.141 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: 2, replica: 2 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1907.350737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.350737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.350737 (E_RNA) where: Base-Base interactions energy: -1351.487 where: short stacking energy: -555.624 Base-Backbone interact. energy: -0.004 local terms energy: -555.860031 where: bonds (distance) C4'-P energy: -93.254 bonds (distance) P-C4' energy: -107.183 flat angles C4'-P-C4' energy: -117.780 flat angles P-C4'-P energy: -79.210 tors. eta vs tors. theta energy: -158.434 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: 3 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1847.442974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.442974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.442974 (E_RNA) where: Base-Base interactions energy: -1300.260 where: short stacking energy: -547.992 Base-Backbone interact. energy: 2.576 local terms energy: -549.758153 where: bonds (distance) C4'-P energy: -98.178 bonds (distance) P-C4' energy: -105.090 flat angles C4'-P-C4' energy: -115.972 flat angles P-C4'-P energy: -75.288 tors. eta vs tors. theta energy: -155.230 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: 4, replica: 1 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1840.742367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.742367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.742367 (E_RNA) where: Base-Base interactions energy: -1283.828 where: short stacking energy: -514.582 Base-Backbone interact. energy: -4.530 local terms energy: -552.383843 where: bonds (distance) C4'-P energy: -92.210 bonds (distance) P-C4' energy: -108.844 flat angles C4'-P-C4' energy: -115.861 flat angles P-C4'-P energy: -85.972 tors. eta vs tors. theta energy: -149.497 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: 5, replica: 4 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1726.935395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.935395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.935395 (E_RNA) where: Base-Base interactions energy: -1184.583 where: short stacking energy: -502.789 Base-Backbone interact. energy: -2.056 local terms energy: -540.296589 where: bonds (distance) C4'-P energy: -100.904 bonds (distance) P-C4' energy: -112.160 flat angles C4'-P-C4' energy: -108.869 flat angles P-C4'-P energy: -76.714 tors. eta vs tors. theta energy: -141.650 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: 6, replica: 5 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1619.106828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.106828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.106828 (E_RNA) where: Base-Base interactions energy: -1142.489 where: short stacking energy: -466.400 Base-Backbone interact. energy: 1.270 local terms energy: -477.888128 where: bonds (distance) C4'-P energy: -89.667 bonds (distance) P-C4' energy: -96.227 flat angles C4'-P-C4' energy: -104.928 flat angles P-C4'-P energy: -63.667 tors. eta vs tors. theta energy: -123.400 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: 7, replica: 9 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1486.245056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.245056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.245056 (E_RNA) where: Base-Base interactions energy: -1014.208 where: short stacking energy: -438.548 Base-Backbone interact. energy: -0.322 local terms energy: -471.715870 where: bonds (distance) C4'-P energy: -94.085 bonds (distance) P-C4' energy: -94.938 flat angles C4'-P-C4' energy: -103.117 flat angles P-C4'-P energy: -69.234 tors. eta vs tors. theta energy: -110.342 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: 8, replica: 6 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1396.688580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.688580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.688580 (E_RNA) where: Base-Base interactions energy: -951.999 where: short stacking energy: -383.793 Base-Backbone interact. energy: 2.140 local terms energy: -446.829209 where: bonds (distance) C4'-P energy: -85.605 bonds (distance) P-C4' energy: -99.016 flat angles C4'-P-C4' energy: -95.992 flat angles P-C4'-P energy: -65.183 tors. eta vs tors. theta energy: -101.033 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: 10 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1280.101618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.101618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.101618 (E_RNA) where: Base-Base interactions energy: -848.921 where: short stacking energy: -380.715 Base-Backbone interact. energy: 5.960 local terms energy: -437.140759 where: bonds (distance) C4'-P energy: -82.606 bonds (distance) P-C4' energy: -105.763 flat angles C4'-P-C4' energy: -95.674 flat angles P-C4'-P energy: -62.632 tors. eta vs tors. theta energy: -90.465 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: 10, replica: 7 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -1119.053582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.053582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.053582 (E_RNA) where: Base-Base interactions energy: -739.517 where: short stacking energy: -315.800 Base-Backbone interact. energy: 3.884 local terms energy: -383.421319 where: bonds (distance) C4'-P energy: -89.837 bonds (distance) P-C4' energy: -95.973 flat angles C4'-P-C4' energy: -87.213 flat angles P-C4'-P energy: -51.508 tors. eta vs tors. theta energy: -58.891 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: 1, replica: 8 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1917.339605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.339605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.339605 (E_RNA) where: Base-Base interactions energy: -1342.532 where: short stacking energy: -565.310 Base-Backbone interact. energy: -2.071 local terms energy: -572.736217 where: bonds (distance) C4'-P energy: -96.037 bonds (distance) P-C4' energy: -120.205 flat angles C4'-P-C4' energy: -124.995 flat angles P-C4'-P energy: -72.952 tors. eta vs tors. theta energy: -158.547 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: 2 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1890.283281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.283281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.283281 (E_RNA) where: Base-Base interactions energy: -1341.163 where: short stacking energy: -556.112 Base-Backbone interact. energy: 5.502 local terms energy: -554.621406 where: bonds (distance) C4'-P energy: -98.954 bonds (distance) P-C4' energy: -104.755 flat angles C4'-P-C4' energy: -115.088 flat angles P-C4'-P energy: -73.625 tors. eta vs tors. theta energy: -162.200 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: 3, replica: 3 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1841.599142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.599142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.599142 (E_RNA) where: Base-Base interactions energy: -1278.658 where: short stacking energy: -531.464 Base-Backbone interact. energy: 0.646 local terms energy: -563.586529 where: bonds (distance) C4'-P energy: -103.483 bonds (distance) P-C4' energy: -116.211 flat angles C4'-P-C4' energy: -116.941 flat angles P-C4'-P energy: -76.915 tors. eta vs tors. theta energy: -150.038 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: 4, replica: 4 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1782.378779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.378779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.378779 (E_RNA) where: Base-Base interactions energy: -1249.962 where: short stacking energy: -524.374 Base-Backbone interact. energy: -0.843 local terms energy: -531.573997 where: bonds (distance) C4'-P energy: -95.115 bonds (distance) P-C4' energy: -107.106 flat angles C4'-P-C4' energy: -100.482 flat angles P-C4'-P energy: -82.052 tors. eta vs tors. theta energy: -146.819 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: 5, replica: 1 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1772.830674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.830674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.830674 (E_RNA) where: Base-Base interactions energy: -1257.151 where: short stacking energy: -503.731 Base-Backbone interact. energy: 4.511 local terms energy: -520.190711 where: bonds (distance) C4'-P energy: -90.520 bonds (distance) P-C4' energy: -112.919 flat angles C4'-P-C4' energy: -104.246 flat angles P-C4'-P energy: -73.187 tors. eta vs tors. theta energy: -139.319 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: 6, replica: 5 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1655.653881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.653881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.653881 (E_RNA) where: Base-Base interactions energy: -1138.688 where: short stacking energy: -488.320 Base-Backbone interact. energy: -0.447 local terms energy: -516.518886 where: bonds (distance) C4'-P energy: -88.553 bonds (distance) P-C4' energy: -113.252 flat angles C4'-P-C4' energy: -111.545 flat angles P-C4'-P energy: -69.353 tors. eta vs tors. theta energy: -133.815 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: 7, replica: 9 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1464.280537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.280537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.280537 (E_RNA) where: Base-Base interactions energy: -998.751 where: short stacking energy: -423.622 Base-Backbone interact. energy: -0.588 local terms energy: -464.941121 where: bonds (distance) C4'-P energy: -97.004 bonds (distance) P-C4' energy: -95.288 flat angles C4'-P-C4' energy: -100.917 flat angles P-C4'-P energy: -66.336 tors. eta vs tors. theta energy: -105.396 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: 6 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1370.629623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.629623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.629623 (E_RNA) where: Base-Base interactions energy: -934.321 where: short stacking energy: -382.697 Base-Backbone interact. energy: 0.439 local terms energy: -436.747963 where: bonds (distance) C4'-P energy: -79.003 bonds (distance) P-C4' energy: -104.025 flat angles C4'-P-C4' energy: -103.996 flat angles P-C4'-P energy: -61.516 tors. eta vs tors. theta energy: -88.208 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: 9, replica: 10 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1267.655276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.655276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.655276 (E_RNA) where: Base-Base interactions energy: -860.022 where: short stacking energy: -362.057 Base-Backbone interact. energy: -1.500 local terms energy: -406.133366 where: bonds (distance) C4'-P energy: -70.344 bonds (distance) P-C4' energy: -96.238 flat angles C4'-P-C4' energy: -102.356 flat angles P-C4'-P energy: -66.790 tors. eta vs tors. theta energy: -70.405 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: 7 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -1127.910812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.910812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.910812 (E_RNA) where: Base-Base interactions energy: -723.821 where: short stacking energy: -320.680 Base-Backbone interact. energy: -1.830 local terms energy: -402.259840 where: bonds (distance) C4'-P energy: -79.660 bonds (distance) P-C4' energy: -112.450 flat angles C4'-P-C4' energy: -85.068 flat angles P-C4'-P energy: -55.902 tors. eta vs tors. theta energy: -69.179 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: 1, replica: 8 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1914.753848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.753848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.753848 (E_RNA) where: Base-Base interactions energy: -1346.093 where: short stacking energy: -561.776 Base-Backbone interact. energy: -2.401 local terms energy: -566.259356 where: bonds (distance) C4'-P energy: -95.347 bonds (distance) P-C4' energy: -115.538 flat angles C4'-P-C4' energy: -111.429 flat angles P-C4'-P energy: -82.302 tors. eta vs tors. theta energy: -161.643 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: 2, replica: 2 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1882.267931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.267931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.267931 (E_RNA) where: Base-Base interactions energy: -1328.980 where: short stacking energy: -555.908 Base-Backbone interact. energy: 3.420 local terms energy: -556.708061 where: bonds (distance) C4'-P energy: -90.317 bonds (distance) P-C4' energy: -107.453 flat angles C4'-P-C4' energy: -122.785 flat angles P-C4'-P energy: -77.352 tors. eta vs tors. theta energy: -158.801 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: 3 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1836.178603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.178603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.178603 (E_RNA) where: Base-Base interactions energy: -1269.661 where: short stacking energy: -525.371 Base-Backbone interact. energy: 3.801 local terms energy: -570.318937 where: bonds (distance) C4'-P energy: -107.437 bonds (distance) P-C4' energy: -120.434 flat angles C4'-P-C4' energy: -108.646 flat angles P-C4'-P energy: -81.681 tors. eta vs tors. theta energy: -152.121 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: 4, replica: 4 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1796.074926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.074926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.074926 (E_RNA) where: Base-Base interactions energy: -1259.766 where: short stacking energy: -525.267 Base-Backbone interact. energy: -1.555 local terms energy: -534.753814 where: bonds (distance) C4'-P energy: -102.018 bonds (distance) P-C4' energy: -95.517 flat angles C4'-P-C4' energy: -114.390 flat angles P-C4'-P energy: -75.749 tors. eta vs tors. theta energy: -147.080 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: 5, replica: 1 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1731.314247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.314247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.314247 (E_RNA) where: Base-Base interactions energy: -1207.166 where: short stacking energy: -492.738 Base-Backbone interact. energy: 1.363 local terms energy: -525.510983 where: bonds (distance) C4'-P energy: -88.359 bonds (distance) P-C4' energy: -112.527 flat angles C4'-P-C4' energy: -115.738 flat angles P-C4'-P energy: -75.548 tors. eta vs tors. theta energy: -133.339 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: 5 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1612.093577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.093577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.093577 (E_RNA) where: Base-Base interactions energy: -1120.353 where: short stacking energy: -457.262 Base-Backbone interact. energy: -0.390 local terms energy: -491.350062 where: bonds (distance) C4'-P energy: -87.607 bonds (distance) P-C4' energy: -106.769 flat angles C4'-P-C4' energy: -107.562 flat angles P-C4'-P energy: -67.810 tors. eta vs tors. theta energy: -121.603 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: 9 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1450.658881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.658881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.658881 (E_RNA) where: Base-Base interactions energy: -965.292 where: short stacking energy: -402.412 Base-Backbone interact. energy: -1.222 local terms energy: -484.144562 where: bonds (distance) C4'-P energy: -97.378 bonds (distance) P-C4' energy: -107.560 flat angles C4'-P-C4' energy: -106.613 flat angles P-C4'-P energy: -67.844 tors. eta vs tors. theta energy: -104.749 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: 8, replica: 6 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1341.191534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.191534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.191534 (E_RNA) where: Base-Base interactions energy: -913.174 where: short stacking energy: -384.398 Base-Backbone interact. energy: 1.004 local terms energy: -429.021469 where: bonds (distance) C4'-P energy: -91.651 bonds (distance) P-C4' energy: -100.791 flat angles C4'-P-C4' energy: -88.721 flat angles P-C4'-P energy: -59.486 tors. eta vs tors. theta energy: -88.373 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: 9, replica: 10 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1264.515572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.515572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.515572 (E_RNA) where: Base-Base interactions energy: -839.567 where: short stacking energy: -376.272 Base-Backbone interact. energy: 2.809 local terms energy: -427.757049 where: bonds (distance) C4'-P energy: -94.027 bonds (distance) P-C4' energy: -93.228 flat angles C4'-P-C4' energy: -104.967 flat angles P-C4'-P energy: -62.964 tors. eta vs tors. theta energy: -72.571 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: 10, replica: 7 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -1084.444229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.444229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.444229 (E_RNA) where: Base-Base interactions energy: -725.378 where: short stacking energy: -324.808 Base-Backbone interact. energy: -1.622 local terms energy: -357.444179 where: bonds (distance) C4'-P energy: -76.026 bonds (distance) P-C4' energy: -72.826 flat angles C4'-P-C4' energy: -85.403 flat angles P-C4'-P energy: -66.812 tors. eta vs tors. theta energy: -56.378 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: 8 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1912.988070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.988070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.988070 (E_RNA) where: Base-Base interactions energy: -1349.751 where: short stacking energy: -560.524 Base-Backbone interact. energy: -1.267 local terms energy: -561.970322 where: bonds (distance) C4'-P energy: -98.390 bonds (distance) P-C4' energy: -104.238 flat angles C4'-P-C4' energy: -118.258 flat angles P-C4'-P energy: -84.283 tors. eta vs tors. theta energy: -156.802 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: 2, replica: 2 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1893.735540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.735540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.735540 (E_RNA) where: Base-Base interactions energy: -1319.589 where: short stacking energy: -540.619 Base-Backbone interact. energy: 3.117 local terms energy: -577.263242 where: bonds (distance) C4'-P energy: -104.332 bonds (distance) P-C4' energy: -120.515 flat angles C4'-P-C4' energy: -110.937 flat angles P-C4'-P energy: -84.225 tors. eta vs tors. theta energy: -157.255 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: 3 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1845.014582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.014582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.014582 (E_RNA) where: Base-Base interactions energy: -1313.565 where: short stacking energy: -535.225 Base-Backbone interact. energy: -2.839 local terms energy: -528.609986 where: bonds (distance) C4'-P energy: -93.061 bonds (distance) P-C4' energy: -101.873 flat angles C4'-P-C4' energy: -110.746 flat angles P-C4'-P energy: -67.985 tors. eta vs tors. theta energy: -154.946 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: 4 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1792.150239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.150239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.150239 (E_RNA) where: Base-Base interactions energy: -1259.197 where: short stacking energy: -507.219 Base-Backbone interact. energy: -2.006 local terms energy: -530.946367 where: bonds (distance) C4'-P energy: -105.336 bonds (distance) P-C4' energy: -98.780 flat angles C4'-P-C4' energy: -109.287 flat angles P-C4'-P energy: -76.539 tors. eta vs tors. theta energy: -141.004 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: 5, replica: 1 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1734.615074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.615074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.615074 (E_RNA) where: Base-Base interactions energy: -1221.418 where: short stacking energy: -489.940 Base-Backbone interact. energy: -1.725 local terms energy: -511.472939 where: bonds (distance) C4'-P energy: -87.432 bonds (distance) P-C4' energy: -100.542 flat angles C4'-P-C4' energy: -111.748 flat angles P-C4'-P energy: -70.140 tors. eta vs tors. theta energy: -141.611 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: 6, replica: 5 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1615.839911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.839911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.839911 (E_RNA) where: Base-Base interactions energy: -1121.198 where: short stacking energy: -455.132 Base-Backbone interact. energy: -0.053 local terms energy: -494.588684 where: bonds (distance) C4'-P energy: -93.472 bonds (distance) P-C4' energy: -104.661 flat angles C4'-P-C4' energy: -99.643 flat angles P-C4'-P energy: -76.831 tors. eta vs tors. theta energy: -119.981 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: 7, replica: 9 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1468.114161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.114161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.114161 (E_RNA) where: Base-Base interactions energy: -981.021 where: short stacking energy: -429.362 Base-Backbone interact. energy: 9.693 local terms energy: -496.786001 where: bonds (distance) C4'-P energy: -87.575 bonds (distance) P-C4' energy: -117.183 flat angles C4'-P-C4' energy: -114.164 flat angles P-C4'-P energy: -70.198 tors. eta vs tors. theta energy: -107.667 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: 8, replica: 6 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1330.174791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.174791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.174791 (E_RNA) where: Base-Base interactions energy: -899.216 where: short stacking energy: -365.791 Base-Backbone interact. energy: 1.962 local terms energy: -432.920766 where: bonds (distance) C4'-P energy: -86.514 bonds (distance) P-C4' energy: -112.309 flat angles C4'-P-C4' energy: -89.509 flat angles P-C4'-P energy: -64.407 tors. eta vs tors. theta energy: -80.181 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: 9, replica: 10 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1197.387572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.387572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.387572 (E_RNA) where: Base-Base interactions energy: -799.103 where: short stacking energy: -348.317 Base-Backbone interact. energy: -0.311 local terms energy: -397.973413 where: bonds (distance) C4'-P energy: -88.356 bonds (distance) P-C4' energy: -96.126 flat angles C4'-P-C4' energy: -95.931 flat angles P-C4'-P energy: -45.735 tors. eta vs tors. theta energy: -71.826 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: 10, replica: 7 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -1123.440715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.440715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.440715 (E_RNA) where: Base-Base interactions energy: -740.489 where: short stacking energy: -340.293 Base-Backbone interact. energy: 0.830 local terms energy: -383.781336 where: bonds (distance) C4'-P energy: -86.841 bonds (distance) P-C4' energy: -98.662 flat angles C4'-P-C4' energy: -76.057 flat angles P-C4'-P energy: -53.659 tors. eta vs tors. theta energy: -68.562 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: 1, replica: 8 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1915.503993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.503993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.503993 (E_RNA) where: Base-Base interactions energy: -1331.349 where: short stacking energy: -559.018 Base-Backbone interact. energy: -2.033 local terms energy: -582.122873 where: bonds (distance) C4'-P energy: -107.168 bonds (distance) P-C4' energy: -116.484 flat angles C4'-P-C4' energy: -122.821 flat angles P-C4'-P energy: -78.737 tors. eta vs tors. theta energy: -156.912 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: 2, replica: 2 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1872.687995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.687995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.687995 (E_RNA) where: Base-Base interactions energy: -1297.148 where: short stacking energy: -537.784 Base-Backbone interact. energy: -2.057 local terms energy: -573.482647 where: bonds (distance) C4'-P energy: -105.832 bonds (distance) P-C4' energy: -113.715 flat angles C4'-P-C4' energy: -117.710 flat angles P-C4'-P energy: -78.257 tors. eta vs tors. theta energy: -157.969 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: 4 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1847.764469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.764469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.764469 (E_RNA) where: Base-Base interactions energy: -1296.477 where: short stacking energy: -533.679 Base-Backbone interact. energy: 0.812 local terms energy: -552.098942 where: bonds (distance) C4'-P energy: -96.604 bonds (distance) P-C4' energy: -121.020 flat angles C4'-P-C4' energy: -117.512 flat angles P-C4'-P energy: -70.293 tors. eta vs tors. theta energy: -146.671 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: 224 Temperature: 1.050000 Total energy: -1817.072472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.072472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.072472 (E_RNA) where: Base-Base interactions energy: -1283.306 where: short stacking energy: -529.896 Base-Backbone interact. energy: -2.226 local terms energy: -531.540808 where: bonds (distance) C4'-P energy: -95.442 bonds (distance) P-C4' energy: -105.936 flat angles C4'-P-C4' energy: -110.452 flat angles P-C4'-P energy: -66.350 tors. eta vs tors. theta energy: -153.361 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: 1 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1769.367407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.367407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.367407 (E_RNA) where: Base-Base interactions energy: -1268.878 where: short stacking energy: -529.287 Base-Backbone interact. energy: 2.038 local terms energy: -502.527442 where: bonds (distance) C4'-P energy: -91.862 bonds (distance) P-C4' energy: -95.479 flat angles C4'-P-C4' energy: -101.470 flat angles P-C4'-P energy: -70.184 tors. eta vs tors. theta energy: -143.533 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: 5 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1643.094965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.094965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.094965 (E_RNA) where: Base-Base interactions energy: -1138.969 where: short stacking energy: -479.225 Base-Backbone interact. energy: 0.585 local terms energy: -504.710651 where: bonds (distance) C4'-P energy: -82.740 bonds (distance) P-C4' energy: -107.009 flat angles C4'-P-C4' energy: -106.533 flat angles P-C4'-P energy: -71.548 tors. eta vs tors. theta energy: -136.882 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: 7, replica: 9 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1451.841122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.841122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.841122 (E_RNA) where: Base-Base interactions energy: -975.647 where: short stacking energy: -395.356 Base-Backbone interact. energy: -0.261 local terms energy: -475.933776 where: bonds (distance) C4'-P energy: -91.224 bonds (distance) P-C4' energy: -102.714 flat angles C4'-P-C4' energy: -114.526 flat angles P-C4'-P energy: -74.112 tors. eta vs tors. theta energy: -93.358 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: 8, replica: 6 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1367.301744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.301744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.301744 (E_RNA) where: Base-Base interactions energy: -922.105 where: short stacking energy: -367.654 Base-Backbone interact. energy: 0.821 local terms energy: -446.017541 where: bonds (distance) C4'-P energy: -93.560 bonds (distance) P-C4' energy: -109.010 flat angles C4'-P-C4' energy: -99.723 flat angles P-C4'-P energy: -63.341 tors. eta vs tors. theta energy: -80.383 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: 10 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1198.839471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.839471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.839471 (E_RNA) where: Base-Base interactions energy: -775.299 where: short stacking energy: -348.302 Base-Backbone interact. energy: 4.676 local terms energy: -428.216093 where: bonds (distance) C4'-P energy: -92.209 bonds (distance) P-C4' energy: -107.400 flat angles C4'-P-C4' energy: -90.100 flat angles P-C4'-P energy: -63.029 tors. eta vs tors. theta energy: -75.478 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: 10, replica: 7 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -1099.479402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.479402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.479402 (E_RNA) where: Base-Base interactions energy: -704.489 where: short stacking energy: -290.473 Base-Backbone interact. energy: -1.064 local terms energy: -393.926005 where: bonds (distance) C4'-P energy: -83.383 bonds (distance) P-C4' energy: -102.246 flat angles C4'-P-C4' energy: -93.049 flat angles P-C4'-P energy: -72.356 tors. eta vs tors. theta energy: -42.891 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: 1, replica: 8 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1925.856439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.856439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.856439 (E_RNA) where: Base-Base interactions energy: -1352.605 where: short stacking energy: -557.011 Base-Backbone interact. energy: 7.265 local terms energy: -580.515812 where: bonds (distance) C4'-P energy: -101.326 bonds (distance) P-C4' energy: -114.847 flat angles C4'-P-C4' energy: -119.353 flat angles P-C4'-P energy: -84.990 tors. eta vs tors. theta energy: -160.000 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: 2, replica: 2 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1887.935410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.935410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.935410 (E_RNA) where: Base-Base interactions energy: -1314.974 where: short stacking energy: -535.219 Base-Backbone interact. energy: 3.395 local terms energy: -576.356467 where: bonds (distance) C4'-P energy: -100.069 bonds (distance) P-C4' energy: -116.113 flat angles C4'-P-C4' energy: -115.283 flat angles P-C4'-P energy: -84.221 tors. eta vs tors. theta energy: -160.671 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: 4 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1839.777057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.777057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.777057 (E_RNA) where: Base-Base interactions energy: -1283.059 where: short stacking energy: -540.995 Base-Backbone interact. energy: 0.211 local terms energy: -556.928977 where: bonds (distance) C4'-P energy: -94.381 bonds (distance) P-C4' energy: -113.701 flat angles C4'-P-C4' energy: -116.765 flat angles P-C4'-P energy: -76.684 tors. eta vs tors. theta energy: -155.397 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: 3 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1832.758538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.758538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.758538 (E_RNA) where: Base-Base interactions energy: -1267.404 where: short stacking energy: -532.893 Base-Backbone interact. energy: -1.554 local terms energy: -563.801008 where: bonds (distance) C4'-P energy: -103.214 bonds (distance) P-C4' energy: -108.791 flat angles C4'-P-C4' energy: -124.240 flat angles P-C4'-P energy: -72.325 tors. eta vs tors. theta energy: -155.230 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: 1 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1759.187697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.187697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.187697 (E_RNA) where: Base-Base interactions energy: -1224.396 where: short stacking energy: -515.067 Base-Backbone interact. energy: -2.501 local terms energy: -532.290700 where: bonds (distance) C4'-P energy: -77.752 bonds (distance) P-C4' energy: -113.762 flat angles C4'-P-C4' energy: -106.703 flat angles P-C4'-P energy: -84.439 tors. eta vs tors. theta energy: -149.635 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: 6, replica: 5 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1611.945177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.945177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.945177 (E_RNA) where: Base-Base interactions energy: -1100.285 where: short stacking energy: -470.526 Base-Backbone interact. energy: 0.084 local terms energy: -511.744310 where: bonds (distance) C4'-P energy: -95.027 bonds (distance) P-C4' energy: -111.168 flat angles C4'-P-C4' energy: -108.015 flat angles P-C4'-P energy: -75.146 tors. eta vs tors. theta energy: -122.388 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: 7, replica: 9 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1438.940467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.940467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.940467 (E_RNA) where: Base-Base interactions energy: -959.854 where: short stacking energy: -421.685 Base-Backbone interact. energy: 1.573 local terms energy: -480.659780 where: bonds (distance) C4'-P energy: -95.487 bonds (distance) P-C4' energy: -108.380 flat angles C4'-P-C4' energy: -95.012 flat angles P-C4'-P energy: -70.782 tors. eta vs tors. theta energy: -110.999 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: 8, replica: 6 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1351.784961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.784961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.784961 (E_RNA) where: Base-Base interactions energy: -924.658 where: short stacking energy: -401.557 Base-Backbone interact. energy: 0.426 local terms energy: -427.553074 where: bonds (distance) C4'-P energy: -91.690 bonds (distance) P-C4' energy: -107.376 flat angles C4'-P-C4' energy: -82.356 flat angles P-C4'-P energy: -50.365 tors. eta vs tors. theta energy: -95.766 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: 9, replica: 10 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1208.177783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.177783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.177783 (E_RNA) where: Base-Base interactions energy: -790.848 where: short stacking energy: -334.822 Base-Backbone interact. energy: 0.046 local terms energy: -417.375895 where: bonds (distance) C4'-P energy: -95.873 bonds (distance) P-C4' energy: -93.959 flat angles C4'-P-C4' energy: -94.081 flat angles P-C4'-P energy: -68.592 tors. eta vs tors. theta energy: -64.870 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: 10, replica: 7 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -1085.117028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.117028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.117028 (E_RNA) where: Base-Base interactions energy: -703.604 where: short stacking energy: -315.617 Base-Backbone interact. energy: -2.739 local terms energy: -378.773967 where: bonds (distance) C4'-P energy: -85.555 bonds (distance) P-C4' energy: -87.449 flat angles C4'-P-C4' energy: -80.239 flat angles P-C4'-P energy: -67.191 tors. eta vs tors. theta energy: -58.339 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: 1, replica: 2 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1942.952455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.952455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.952455 (E_RNA) where: Base-Base interactions energy: -1376.914 where: short stacking energy: -576.088 Base-Backbone interact. energy: -0.768 local terms energy: -565.270770 where: bonds (distance) C4'-P energy: -94.695 bonds (distance) P-C4' energy: -117.001 flat angles C4'-P-C4' energy: -106.176 flat angles P-C4'-P energy: -80.948 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: 2, replica: 8 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1904.464707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.464707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.464707 (E_RNA) where: Base-Base interactions energy: -1321.936 where: short stacking energy: -540.822 Base-Backbone interact. energy: -1.057 local terms energy: -581.471932 where: bonds (distance) C4'-P energy: -97.294 bonds (distance) P-C4' energy: -123.652 flat angles C4'-P-C4' energy: -120.364 flat angles P-C4'-P energy: -80.298 tors. eta vs tors. theta energy: -159.864 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: 3, replica: 3 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1851.268295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.268295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.268295 (E_RNA) where: Base-Base interactions energy: -1301.005 where: short stacking energy: -524.593 Base-Backbone interact. energy: 3.072 local terms energy: -553.335151 where: bonds (distance) C4'-P energy: -96.493 bonds (distance) P-C4' energy: -115.902 flat angles C4'-P-C4' energy: -115.311 flat angles P-C4'-P energy: -77.141 tors. eta vs tors. theta energy: -148.488 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: 226 Temperature: 1.050000 Total energy: -1797.728107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.728107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.728107 (E_RNA) where: Base-Base interactions energy: -1280.893 where: short stacking energy: -533.568 Base-Backbone interact. energy: -0.605 local terms energy: -516.230737 where: bonds (distance) C4'-P energy: -89.291 bonds (distance) P-C4' energy: -92.292 flat angles C4'-P-C4' energy: -113.809 flat angles P-C4'-P energy: -72.154 tors. eta vs tors. theta energy: -148.685 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: 1 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1774.323543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.323543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.323543 (E_RNA) where: Base-Base interactions energy: -1249.066 where: short stacking energy: -532.005 Base-Backbone interact. energy: 0.894 local terms energy: -526.152138 where: bonds (distance) C4'-P energy: -86.777 bonds (distance) P-C4' energy: -107.721 flat angles C4'-P-C4' energy: -112.618 flat angles P-C4'-P energy: -80.337 tors. eta vs tors. theta energy: -138.700 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: 6, replica: 5 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1571.415235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.415235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.415235 (E_RNA) where: Base-Base interactions energy: -1088.124 where: short stacking energy: -456.014 Base-Backbone interact. energy: -0.916 local terms energy: -482.374638 where: bonds (distance) C4'-P energy: -90.046 bonds (distance) P-C4' energy: -91.611 flat angles C4'-P-C4' energy: -107.216 flat angles P-C4'-P energy: -70.513 tors. eta vs tors. theta energy: -122.989 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: 7, replica: 6 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1395.725450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.725450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.725450 (E_RNA) where: Base-Base interactions energy: -947.214 where: short stacking energy: -404.601 Base-Backbone interact. energy: -2.550 local terms energy: -445.961881 where: bonds (distance) C4'-P energy: -75.797 bonds (distance) P-C4' energy: -105.045 flat angles C4'-P-C4' energy: -99.543 flat angles P-C4'-P energy: -71.766 tors. eta vs tors. theta energy: -93.810 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: 8, replica: 9 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1428.290714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.290714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.290714 (E_RNA) where: Base-Base interactions energy: -965.878 where: short stacking energy: -405.571 Base-Backbone interact. energy: 3.588 local terms energy: -466.000529 where: bonds (distance) C4'-P energy: -93.039 bonds (distance) P-C4' energy: -117.152 flat angles C4'-P-C4' energy: -100.528 flat angles P-C4'-P energy: -59.615 tors. eta vs tors. theta energy: -95.667 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: 10 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1223.674799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.674799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.674799 (E_RNA) where: Base-Base interactions energy: -805.713 where: short stacking energy: -354.771 Base-Backbone interact. energy: 1.824 local terms energy: -419.786212 where: bonds (distance) C4'-P energy: -86.361 bonds (distance) P-C4' energy: -89.777 flat angles C4'-P-C4' energy: -99.380 flat angles P-C4'-P energy: -70.021 tors. eta vs tors. theta energy: -74.247 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: 10, replica: 7 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -1130.118801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.118801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.118801 (E_RNA) where: Base-Base interactions energy: -736.831 where: short stacking energy: -329.756 Base-Backbone interact. energy: 7.768 local terms energy: -401.055906 where: bonds (distance) C4'-P energy: -77.473 bonds (distance) P-C4' energy: -103.235 flat angles C4'-P-C4' energy: -94.285 flat angles P-C4'-P energy: -61.090 tors. eta vs tors. theta energy: -64.972 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: 2 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1930.663521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.663521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.663521 (E_RNA) where: Base-Base interactions energy: -1360.855 where: short stacking energy: -558.779 Base-Backbone interact. energy: -2.196 local terms energy: -567.612520 where: bonds (distance) C4'-P energy: -101.514 bonds (distance) P-C4' energy: -102.261 flat angles C4'-P-C4' energy: -117.495 flat angles P-C4'-P energy: -88.342 tors. eta vs tors. theta energy: -158.001 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: 8 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1900.686492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.686492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.686492 (E_RNA) where: Base-Base interactions energy: -1330.052 where: short stacking energy: -543.091 Base-Backbone interact. energy: 3.453 local terms energy: -574.087353 where: bonds (distance) C4'-P energy: -103.772 bonds (distance) P-C4' energy: -117.633 flat angles C4'-P-C4' energy: -121.432 flat angles P-C4'-P energy: -78.799 tors. eta vs tors. theta energy: -152.451 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: 3, replica: 3 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1849.707792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.707792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.707792 (E_RNA) where: Base-Base interactions energy: -1303.191 where: short stacking energy: -538.306 Base-Backbone interact. energy: -1.032 local terms energy: -545.485290 where: bonds (distance) C4'-P energy: -99.186 bonds (distance) P-C4' energy: -118.659 flat angles C4'-P-C4' energy: -109.071 flat angles P-C4'-P energy: -72.653 tors. eta vs tors. theta energy: -145.915 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: 4 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1786.812241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.812241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.812241 (E_RNA) where: Base-Base interactions energy: -1252.130 where: short stacking energy: -514.291 Base-Backbone interact. energy: 3.456 local terms energy: -538.138767 where: bonds (distance) C4'-P energy: -91.597 bonds (distance) P-C4' energy: -99.719 flat angles C4'-P-C4' energy: -118.388 flat angles P-C4'-P energy: -81.546 tors. eta vs tors. theta energy: -146.889 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: 1 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1727.604139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.604139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.604139 (E_RNA) where: Base-Base interactions energy: -1209.268 where: short stacking energy: -497.327 Base-Backbone interact. energy: 4.323 local terms energy: -522.659716 where: bonds (distance) C4'-P energy: -96.000 bonds (distance) P-C4' energy: -95.728 flat angles C4'-P-C4' energy: -109.705 flat angles P-C4'-P energy: -82.371 tors. eta vs tors. theta energy: -138.856 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: 6, replica: 5 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1601.518100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.518100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.518100 (E_RNA) where: Base-Base interactions energy: -1112.773 where: short stacking energy: -452.893 Base-Backbone interact. energy: -0.142 local terms energy: -488.602742 where: bonds (distance) C4'-P energy: -86.195 bonds (distance) P-C4' energy: -108.868 flat angles C4'-P-C4' energy: -97.789 flat angles P-C4'-P energy: -70.929 tors. eta vs tors. theta energy: -124.821 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: 6 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1372.928919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.928919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.928919 (E_RNA) where: Base-Base interactions energy: -928.707 where: short stacking energy: -397.342 Base-Backbone interact. energy: 5.870 local terms energy: -450.092500 where: bonds (distance) C4'-P energy: -90.945 bonds (distance) P-C4' energy: -107.764 flat angles C4'-P-C4' energy: -103.776 flat angles P-C4'-P energy: -59.047 tors. eta vs tors. theta energy: -88.561 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: 8, replica: 9 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1476.557178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.557178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.557178 (E_RNA) where: Base-Base interactions energy: -1017.852 where: short stacking energy: -430.688 Base-Backbone interact. energy: -1.019 local terms energy: -457.685686 where: bonds (distance) C4'-P energy: -81.554 bonds (distance) P-C4' energy: -85.973 flat angles C4'-P-C4' energy: -109.393 flat angles P-C4'-P energy: -71.937 tors. eta vs tors. theta energy: -108.829 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: 10 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1231.048076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.048076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.048076 (E_RNA) where: Base-Base interactions energy: -820.479 where: short stacking energy: -340.615 Base-Backbone interact. energy: 1.339 local terms energy: -411.908220 where: bonds (distance) C4'-P energy: -81.134 bonds (distance) P-C4' energy: -100.585 flat angles C4'-P-C4' energy: -94.525 flat angles P-C4'-P energy: -58.559 tors. eta vs tors. theta energy: -77.105 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: 10, replica: 7 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -1108.500022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.500022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.500022 (E_RNA) where: Base-Base interactions energy: -730.991 where: short stacking energy: -335.458 Base-Backbone interact. energy: 0.941 local terms energy: -378.450338 where: bonds (distance) C4'-P energy: -76.000 bonds (distance) P-C4' energy: -87.642 flat angles C4'-P-C4' energy: -86.322 flat angles P-C4'-P energy: -67.782 tors. eta vs tors. theta energy: -60.704 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: 8 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1919.931384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.931384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.931384 (E_RNA) where: Base-Base interactions energy: -1347.462 where: short stacking energy: -544.188 Base-Backbone interact. energy: -0.268 local terms energy: -572.201482 where: bonds (distance) C4'-P energy: -98.723 bonds (distance) P-C4' energy: -112.386 flat angles C4'-P-C4' energy: -117.452 flat angles P-C4'-P energy: -86.543 tors. eta vs tors. theta energy: -157.098 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: 2, replica: 2 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1901.358831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.358831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.358831 (E_RNA) where: Base-Base interactions energy: -1337.619 where: short stacking energy: -541.111 Base-Backbone interact. energy: -1.440 local terms energy: -562.299369 where: bonds (distance) C4'-P energy: -102.341 bonds (distance) P-C4' energy: -107.410 flat angles C4'-P-C4' energy: -116.204 flat angles P-C4'-P energy: -78.100 tors. eta vs tors. theta energy: -158.244 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: 3 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1819.581692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.581692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.581692 (E_RNA) where: Base-Base interactions energy: -1273.337 where: short stacking energy: -518.759 Base-Backbone interact. energy: 3.313 local terms energy: -549.557925 where: bonds (distance) C4'-P energy: -100.475 bonds (distance) P-C4' energy: -109.388 flat angles C4'-P-C4' energy: -117.053 flat angles P-C4'-P energy: -71.914 tors. eta vs tors. theta energy: -150.729 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: 4, replica: 4 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1781.813252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.813252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.813252 (E_RNA) where: Base-Base interactions energy: -1232.374 where: short stacking energy: -507.375 Base-Backbone interact. energy: 0.249 local terms energy: -549.688047 where: bonds (distance) C4'-P energy: -102.105 bonds (distance) P-C4' energy: -114.048 flat angles C4'-P-C4' energy: -114.392 flat angles P-C4'-P energy: -71.697 tors. eta vs tors. theta energy: -147.447 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: 5, replica: 1 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1737.215790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.215790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.215790 (E_RNA) where: Base-Base interactions energy: -1198.466 where: short stacking energy: -488.696 Base-Backbone interact. energy: -2.153 local terms energy: -536.596869 where: bonds (distance) C4'-P energy: -104.817 bonds (distance) P-C4' energy: -110.092 flat angles C4'-P-C4' energy: -116.078 flat angles P-C4'-P energy: -72.118 tors. eta vs tors. theta energy: -133.491 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: 5 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1627.868632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.868632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.868632 (E_RNA) where: Base-Base interactions energy: -1138.050 where: short stacking energy: -469.620 Base-Backbone interact. energy: 0.348 local terms energy: -490.167120 where: bonds (distance) C4'-P energy: -75.484 bonds (distance) P-C4' energy: -100.009 flat angles C4'-P-C4' energy: -109.707 flat angles P-C4'-P energy: -73.442 tors. eta vs tors. theta energy: -131.525 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: 9 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1448.524321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.524321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.524321 (E_RNA) where: Base-Base interactions energy: -984.047 where: short stacking energy: -404.218 Base-Backbone interact. energy: -1.443 local terms energy: -463.034082 where: bonds (distance) C4'-P energy: -98.527 bonds (distance) P-C4' energy: -97.274 flat angles C4'-P-C4' energy: -96.182 flat angles P-C4'-P energy: -70.601 tors. eta vs tors. theta energy: -100.451 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: 8, replica: 6 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1357.699179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.699179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.699179 (E_RNA) where: Base-Base interactions energy: -910.023 where: short stacking energy: -397.108 Base-Backbone interact. energy: 1.317 local terms energy: -448.993131 where: bonds (distance) C4'-P energy: -86.352 bonds (distance) P-C4' energy: -94.211 flat angles C4'-P-C4' energy: -104.392 flat angles P-C4'-P energy: -71.908 tors. eta vs tors. theta energy: -92.130 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: 9, replica: 10 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1271.963818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.963818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.963818 (E_RNA) where: Base-Base interactions energy: -840.850 where: short stacking energy: -366.037 Base-Backbone interact. energy: 5.219 local terms energy: -436.332074 where: bonds (distance) C4'-P energy: -84.928 bonds (distance) P-C4' energy: -106.327 flat angles C4'-P-C4' energy: -95.000 flat angles P-C4'-P energy: -72.202 tors. eta vs tors. theta energy: -77.875 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: 7 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -1097.229924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.229924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.229924 (E_RNA) where: Base-Base interactions energy: -705.575 where: short stacking energy: -309.542 Base-Backbone interact. energy: -1.895 local terms energy: -389.759450 where: bonds (distance) C4'-P energy: -79.917 bonds (distance) P-C4' energy: -106.647 flat angles C4'-P-C4' energy: -95.581 flat angles P-C4'-P energy: -51.451 tors. eta vs tors. theta energy: -56.162 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: 8 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1927.073976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.073976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.073976 (E_RNA) where: Base-Base interactions energy: -1370.702 where: short stacking energy: -555.374 Base-Backbone interact. energy: 4.850 local terms energy: -561.221496 where: bonds (distance) C4'-P energy: -97.437 bonds (distance) P-C4' energy: -106.358 flat angles C4'-P-C4' energy: -114.795 flat angles P-C4'-P energy: -88.552 tors. eta vs tors. theta energy: -154.080 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: 2 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1895.654305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.654305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.654305 (E_RNA) where: Base-Base interactions energy: -1336.836 where: short stacking energy: -529.510 Base-Backbone interact. energy: -1.119 local terms energy: -557.698695 where: bonds (distance) C4'-P energy: -104.181 bonds (distance) P-C4' energy: -107.914 flat angles C4'-P-C4' energy: -121.106 flat angles P-C4'-P energy: -73.827 tors. eta vs tors. theta energy: -150.670 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: 3, replica: 3 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1873.687413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.687413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.687413 (E_RNA) where: Base-Base interactions energy: -1307.967 where: short stacking energy: -556.170 Base-Backbone interact. energy: 1.890 local terms energy: -567.610315 where: bonds (distance) C4'-P energy: -90.985 bonds (distance) P-C4' energy: -119.232 flat angles C4'-P-C4' energy: -121.039 flat angles P-C4'-P energy: -83.327 tors. eta vs tors. theta energy: -153.028 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: 4, replica: 4 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1768.702288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.702288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.702288 (E_RNA) where: Base-Base interactions energy: -1236.399 where: short stacking energy: -505.754 Base-Backbone interact. energy: -2.651 local terms energy: -529.652546 where: bonds (distance) C4'-P energy: -86.293 bonds (distance) P-C4' energy: -106.291 flat angles C4'-P-C4' energy: -114.252 flat angles P-C4'-P energy: -75.116 tors. eta vs tors. theta energy: -147.702 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: 1 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1737.075511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.075511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.075511 (E_RNA) where: Base-Base interactions energy: -1226.691 where: short stacking energy: -506.857 Base-Backbone interact. energy: 0.286 local terms energy: -510.670333 where: bonds (distance) C4'-P energy: -88.787 bonds (distance) P-C4' energy: -103.161 flat angles C4'-P-C4' energy: -105.706 flat angles P-C4'-P energy: -65.197 tors. eta vs tors. theta energy: -147.820 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: 5 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1634.767130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.767130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.767130 (E_RNA) where: Base-Base interactions energy: -1124.028 where: short stacking energy: -464.320 Base-Backbone interact. energy: 0.351 local terms energy: -511.090077 where: bonds (distance) C4'-P energy: -97.136 bonds (distance) P-C4' energy: -107.470 flat angles C4'-P-C4' energy: -114.693 flat angles P-C4'-P energy: -70.464 tors. eta vs tors. theta energy: -121.327 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: 9 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1477.420707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.420707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.420707 (E_RNA) where: Base-Base interactions energy: -1013.335 where: short stacking energy: -416.410 Base-Backbone interact. energy: 1.042 local terms energy: -465.127190 where: bonds (distance) C4'-P energy: -83.567 bonds (distance) P-C4' energy: -114.842 flat angles C4'-P-C4' energy: -101.132 flat angles P-C4'-P energy: -71.348 tors. eta vs tors. theta energy: -94.238 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: 8, replica: 6 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1336.987856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.987856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.987856 (E_RNA) where: Base-Base interactions energy: -903.997 where: short stacking energy: -375.595 Base-Backbone interact. energy: -1.609 local terms energy: -431.381612 where: bonds (distance) C4'-P energy: -86.874 bonds (distance) P-C4' energy: -101.392 flat angles C4'-P-C4' energy: -102.645 flat angles P-C4'-P energy: -57.485 tors. eta vs tors. theta energy: -82.986 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: 9, replica: 10 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1220.673543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.673543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.673543 (E_RNA) where: Base-Base interactions energy: -812.082 where: short stacking energy: -344.712 Base-Backbone interact. energy: -0.815 local terms energy: -407.777135 where: bonds (distance) C4'-P energy: -76.141 bonds (distance) P-C4' energy: -107.960 flat angles C4'-P-C4' energy: -86.083 flat angles P-C4'-P energy: -55.713 tors. eta vs tors. theta energy: -81.881 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: 7 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -1092.486769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.486769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.486769 (E_RNA) where: Base-Base interactions energy: -705.628 where: short stacking energy: -310.679 Base-Backbone interact. energy: 0.733 local terms energy: -387.591794 where: bonds (distance) C4'-P energy: -85.014 bonds (distance) P-C4' energy: -107.385 flat angles C4'-P-C4' energy: -77.000 flat angles P-C4'-P energy: -56.791 tors. eta vs tors. theta energy: -61.402 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: 1, replica: 2 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1921.099827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.099827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.099827 (E_RNA) where: Base-Base interactions energy: -1342.667 where: short stacking energy: -554.928 Base-Backbone interact. energy: -0.345 local terms energy: -578.087464 where: bonds (distance) C4'-P energy: -100.500 bonds (distance) P-C4' energy: -122.746 flat angles C4'-P-C4' energy: -117.791 flat angles P-C4'-P energy: -79.995 tors. eta vs tors. theta energy: -157.055 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: 2, replica: 8 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1895.488037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.488037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.488037 (E_RNA) where: Base-Base interactions energy: -1332.085 where: short stacking energy: -548.871 Base-Backbone interact. energy: 1.011 local terms energy: -564.414850 where: bonds (distance) C4'-P energy: -96.733 bonds (distance) P-C4' energy: -109.900 flat angles C4'-P-C4' energy: -118.739 flat angles P-C4'-P energy: -74.865 tors. eta vs tors. theta energy: -164.177 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: 3, replica: 4 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1834.274251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.274251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.274251 (E_RNA) where: Base-Base interactions energy: -1264.557 where: short stacking energy: -523.118 Base-Backbone interact. energy: 0.480 local terms energy: -570.196516 where: bonds (distance) C4'-P energy: -103.216 bonds (distance) P-C4' energy: -106.711 flat angles C4'-P-C4' energy: -117.783 flat angles P-C4'-P energy: -88.135 tors. eta vs tors. theta energy: -154.352 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: 4, replica: 3 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1828.218278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.218278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.218278 (E_RNA) where: Base-Base interactions energy: -1273.883 where: short stacking energy: -521.327 Base-Backbone interact. energy: 2.679 local terms energy: -557.014784 where: bonds (distance) C4'-P energy: -99.870 bonds (distance) P-C4' energy: -115.501 flat angles C4'-P-C4' energy: -110.552 flat angles P-C4'-P energy: -74.061 tors. eta vs tors. theta energy: -157.031 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: 5, replica: 1 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1768.524079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.524079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.524079 (E_RNA) where: Base-Base interactions energy: -1256.255 where: short stacking energy: -523.006 Base-Backbone interact. energy: -0.672 local terms energy: -511.596974 where: bonds (distance) C4'-P energy: -90.888 bonds (distance) P-C4' energy: -101.326 flat angles C4'-P-C4' energy: -113.214 flat angles P-C4'-P energy: -65.273 tors. eta vs tors. theta energy: -140.895 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: 6, replica: 5 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1619.965174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.965174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.965174 (E_RNA) where: Base-Base interactions energy: -1138.549 where: short stacking energy: -464.421 Base-Backbone interact. energy: -1.992 local terms energy: -479.424270 where: bonds (distance) C4'-P energy: -88.748 bonds (distance) P-C4' energy: -102.975 flat angles C4'-P-C4' energy: -103.032 flat angles P-C4'-P energy: -69.343 tors. eta vs tors. theta energy: -115.326 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: 7, replica: 9 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1399.914498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.914498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.914498 (E_RNA) where: Base-Base interactions energy: -917.095 where: short stacking energy: -392.590 Base-Backbone interact. energy: -1.873 local terms energy: -480.946290 where: bonds (distance) C4'-P energy: -99.033 bonds (distance) P-C4' energy: -99.046 flat angles C4'-P-C4' energy: -97.974 flat angles P-C4'-P energy: -81.384 tors. eta vs tors. theta energy: -103.509 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: 8, replica: 6 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1353.326912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.326912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.326912 (E_RNA) where: Base-Base interactions energy: -929.956 where: short stacking energy: -377.916 Base-Backbone interact. energy: -1.930 local terms energy: -421.441004 where: bonds (distance) C4'-P energy: -86.323 bonds (distance) P-C4' energy: -93.775 flat angles C4'-P-C4' energy: -104.193 flat angles P-C4'-P energy: -51.906 tors. eta vs tors. theta energy: -85.245 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: 9, replica: 10 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1243.166345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.166345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.166345 (E_RNA) where: Base-Base interactions energy: -832.107 where: short stacking energy: -355.180 Base-Backbone interact. energy: -0.250 local terms energy: -410.808597 where: bonds (distance) C4'-P energy: -87.804 bonds (distance) P-C4' energy: -88.043 flat angles C4'-P-C4' energy: -98.044 flat angles P-C4'-P energy: -62.359 tors. eta vs tors. theta energy: -74.558 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: 7 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -1079.118903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.118903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.118903 (E_RNA) where: Base-Base interactions energy: -684.277 where: short stacking energy: -313.851 Base-Backbone interact. energy: 1.085 local terms energy: -395.926682 where: bonds (distance) C4'-P energy: -81.000 bonds (distance) P-C4' energy: -107.691 flat angles C4'-P-C4' energy: -90.594 flat angles P-C4'-P energy: -53.085 tors. eta vs tors. theta energy: -63.556 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: 2 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1928.078236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.078236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.078236 (E_RNA) where: Base-Base interactions energy: -1372.657 where: short stacking energy: -577.628 Base-Backbone interact. energy: -1.113 local terms energy: -554.307725 where: bonds (distance) C4'-P energy: -96.106 bonds (distance) P-C4' energy: -96.320 flat angles C4'-P-C4' energy: -113.625 flat angles P-C4'-P energy: -90.003 tors. eta vs tors. theta energy: -158.254 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: 2, replica: 8 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1870.085845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.085845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.085845 (E_RNA) where: Base-Base interactions energy: -1316.422 where: short stacking energy: -543.062 Base-Backbone interact. energy: -1.609 local terms energy: -552.054720 where: bonds (distance) C4'-P energy: -94.581 bonds (distance) P-C4' energy: -103.061 flat angles C4'-P-C4' energy: -126.246 flat angles P-C4'-P energy: -76.449 tors. eta vs tors. theta energy: -151.718 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: 4 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1804.839561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.839561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.839561 (E_RNA) where: Base-Base interactions energy: -1244.496 where: short stacking energy: -525.407 Base-Backbone interact. energy: -0.727 local terms energy: -559.617212 where: bonds (distance) C4'-P energy: -100.438 bonds (distance) P-C4' energy: -112.765 flat angles C4'-P-C4' energy: -120.593 flat angles P-C4'-P energy: -79.794 tors. eta vs tors. theta energy: -146.027 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: 3 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1826.897397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.897397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.897397 (E_RNA) where: Base-Base interactions energy: -1280.813 where: short stacking energy: -527.278 Base-Backbone interact. energy: -1.500 local terms energy: -544.584776 where: bonds (distance) C4'-P energy: -89.272 bonds (distance) P-C4' energy: -111.562 flat angles C4'-P-C4' energy: -106.435 flat angles P-C4'-P energy: -83.625 tors. eta vs tors. theta energy: -153.690 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: 1 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1777.898786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.898786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.898786 (E_RNA) where: Base-Base interactions energy: -1254.718 where: short stacking energy: -511.506 Base-Backbone interact. energy: -2.272 local terms energy: -520.908519 where: bonds (distance) C4'-P energy: -89.063 bonds (distance) P-C4' energy: -103.033 flat angles C4'-P-C4' energy: -110.692 flat angles P-C4'-P energy: -69.628 tors. eta vs tors. theta energy: -148.492 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: 6, replica: 5 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1602.378172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.378172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.378172 (E_RNA) where: Base-Base interactions energy: -1121.658 where: short stacking energy: -465.017 Base-Backbone interact. energy: -1.258 local terms energy: -479.462680 where: bonds (distance) C4'-P energy: -91.869 bonds (distance) P-C4' energy: -98.009 flat angles C4'-P-C4' energy: -101.155 flat angles P-C4'-P energy: -67.038 tors. eta vs tors. theta energy: -121.391 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: 7, replica: 9 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1408.035408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.035408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.035408 (E_RNA) where: Base-Base interactions energy: -955.246 where: short stacking energy: -409.967 Base-Backbone interact. energy: -1.896 local terms energy: -450.893491 where: bonds (distance) C4'-P energy: -87.591 bonds (distance) P-C4' energy: -92.039 flat angles C4'-P-C4' energy: -115.354 flat angles P-C4'-P energy: -68.466 tors. eta vs tors. theta energy: -87.444 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: 6 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1391.508121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.508121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.508121 (E_RNA) where: Base-Base interactions energy: -930.272 where: short stacking energy: -389.442 Base-Backbone interact. energy: -2.433 local terms energy: -458.803313 where: bonds (distance) C4'-P energy: -104.059 bonds (distance) P-C4' energy: -101.700 flat angles C4'-P-C4' energy: -98.009 flat angles P-C4'-P energy: -66.479 tors. eta vs tors. theta energy: -88.557 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: 10 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1185.083931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.083931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.083931 (E_RNA) where: Base-Base interactions energy: -801.981 where: short stacking energy: -370.388 Base-Backbone interact. energy: 7.782 local terms energy: -390.884592 where: bonds (distance) C4'-P energy: -64.693 bonds (distance) P-C4' energy: -101.959 flat angles C4'-P-C4' energy: -93.101 flat angles P-C4'-P energy: -55.030 tors. eta vs tors. theta energy: -76.101 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: 10, replica: 7 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -1096.317047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.317047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.317047 (E_RNA) where: Base-Base interactions energy: -719.194 where: short stacking energy: -328.355 Base-Backbone interact. energy: 3.015 local terms energy: -380.137292 where: bonds (distance) C4'-P energy: -87.158 bonds (distance) P-C4' energy: -84.235 flat angles C4'-P-C4' energy: -90.635 flat angles P-C4'-P energy: -53.068 tors. eta vs tors. theta energy: -65.041 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: 1, replica: 2 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1929.210307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.210307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.210307 (E_RNA) where: Base-Base interactions energy: -1356.047 where: short stacking energy: -555.211 Base-Backbone interact. energy: -0.962 local terms energy: -572.201379 where: bonds (distance) C4'-P energy: -102.790 bonds (distance) P-C4' energy: -109.072 flat angles C4'-P-C4' energy: -115.191 flat angles P-C4'-P energy: -85.994 tors. eta vs tors. theta energy: -159.154 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: 2, replica: 8 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1886.661004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.661004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.661004 (E_RNA) where: Base-Base interactions energy: -1323.996 where: short stacking energy: -546.217 Base-Backbone interact. energy: -2.519 local terms energy: -560.146258 where: bonds (distance) C4'-P energy: -93.713 bonds (distance) P-C4' energy: -111.789 flat angles C4'-P-C4' energy: -120.872 flat angles P-C4'-P energy: -79.574 tors. eta vs tors. theta energy: -154.197 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: 3 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1820.624607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.624607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.624607 (E_RNA) where: Base-Base interactions energy: -1274.701 where: short stacking energy: -513.447 Base-Backbone interact. energy: -0.948 local terms energy: -544.975056 where: bonds (distance) C4'-P energy: -107.072 bonds (distance) P-C4' energy: -101.049 flat angles C4'-P-C4' energy: -112.792 flat angles P-C4'-P energy: -75.903 tors. eta vs tors. theta energy: -148.160 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: 4 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1756.034844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.034844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.034844 (E_RNA) where: Base-Base interactions energy: -1220.057 where: short stacking energy: -498.940 Base-Backbone interact. energy: -0.115 local terms energy: -535.863248 where: bonds (distance) C4'-P energy: -80.621 bonds (distance) P-C4' energy: -116.041 flat angles C4'-P-C4' energy: -115.127 flat angles P-C4'-P energy: -75.581 tors. eta vs tors. theta energy: -148.493 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: 232 Temperature: 1.100000 Total energy: -1803.551589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.551589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.551589 (E_RNA) where: Base-Base interactions energy: -1269.355 where: short stacking energy: -534.143 Base-Backbone interact. energy: -3.151 local terms energy: -531.045882 where: bonds (distance) C4'-P energy: -93.881 bonds (distance) P-C4' energy: -97.816 flat angles C4'-P-C4' energy: -116.469 flat angles P-C4'-P energy: -72.670 tors. eta vs tors. theta energy: -150.210 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: 5 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1616.745764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.745764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.745764 (E_RNA) where: Base-Base interactions energy: -1122.913 where: short stacking energy: -453.974 Base-Backbone interact. energy: 0.770 local terms energy: -494.602308 where: bonds (distance) C4'-P energy: -79.744 bonds (distance) P-C4' energy: -108.247 flat angles C4'-P-C4' energy: -111.146 flat angles P-C4'-P energy: -73.721 tors. eta vs tors. theta energy: -121.744 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: 9 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1449.931923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.931923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.931923 (E_RNA) where: Base-Base interactions energy: -987.746 where: short stacking energy: -418.271 Base-Backbone interact. energy: -1.544 local terms energy: -460.642726 where: bonds (distance) C4'-P energy: -98.554 bonds (distance) P-C4' energy: -95.307 flat angles C4'-P-C4' energy: -104.396 flat angles P-C4'-P energy: -63.797 tors. eta vs tors. theta energy: -98.590 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: 8, replica: 6 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1355.215980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.215980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.215980 (E_RNA) where: Base-Base interactions energy: -956.213 where: short stacking energy: -378.517 Base-Backbone interact. energy: 8.121 local terms energy: -407.123585 where: bonds (distance) C4'-P energy: -73.883 bonds (distance) P-C4' energy: -107.545 flat angles C4'-P-C4' energy: -82.635 flat angles P-C4'-P energy: -65.669 tors. eta vs tors. theta energy: -77.391 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: 9, replica: 10 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1224.078470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.078470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.078470 (E_RNA) where: Base-Base interactions energy: -809.514 where: short stacking energy: -346.314 Base-Backbone interact. energy: 1.969 local terms energy: -416.533830 where: bonds (distance) C4'-P energy: -86.599 bonds (distance) P-C4' energy: -83.467 flat angles C4'-P-C4' energy: -99.008 flat angles P-C4'-P energy: -69.441 tors. eta vs tors. theta energy: -78.018 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: 7 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -1071.421814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.421814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.421814 (E_RNA) where: Base-Base interactions energy: -703.551 where: short stacking energy: -315.886 Base-Backbone interact. energy: -1.075 local terms energy: -366.795976 where: bonds (distance) C4'-P energy: -81.631 bonds (distance) P-C4' energy: -95.028 flat angles C4'-P-C4' energy: -90.475 flat angles P-C4'-P energy: -47.344 tors. eta vs tors. theta energy: -52.317 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: 2 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1933.204033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.204033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.204033 (E_RNA) where: Base-Base interactions energy: -1371.469 where: short stacking energy: -551.286 Base-Backbone interact. energy: -0.695 local terms energy: -561.040687 where: bonds (distance) C4'-P energy: -93.953 bonds (distance) P-C4' energy: -101.622 flat angles C4'-P-C4' energy: -125.376 flat angles P-C4'-P energy: -80.972 tors. eta vs tors. theta energy: -159.117 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: 2, replica: 8 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1906.635166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.635166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.635166 (E_RNA) where: Base-Base interactions energy: -1345.899 where: short stacking energy: -552.805 Base-Backbone interact. energy: 0.511 local terms energy: -561.247290 where: bonds (distance) C4'-P energy: -101.534 bonds (distance) P-C4' energy: -111.541 flat angles C4'-P-C4' energy: -108.571 flat angles P-C4'-P energy: -78.724 tors. eta vs tors. theta energy: -160.877 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: 3 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1822.269575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.269575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.269575 (E_RNA) where: Base-Base interactions energy: -1294.719 where: short stacking energy: -523.821 Base-Backbone interact. energy: 0.266 local terms energy: -527.816506 where: bonds (distance) C4'-P energy: -85.757 bonds (distance) P-C4' energy: -105.572 flat angles C4'-P-C4' energy: -112.100 flat angles P-C4'-P energy: -71.670 tors. eta vs tors. theta energy: -152.719 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: 233 Temperature: 1.050000 Total energy: -1763.494951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.494951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.494951 (E_RNA) where: Base-Base interactions energy: -1218.641 where: short stacking energy: -512.688 Base-Backbone interact. energy: -0.939 local terms energy: -543.914884 where: bonds (distance) C4'-P energy: -85.996 bonds (distance) P-C4' energy: -115.825 flat angles C4'-P-C4' energy: -115.061 flat angles P-C4'-P energy: -79.199 tors. eta vs tors. theta energy: -147.834 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: 5, replica: 1 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1783.861240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.861240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.861240 (E_RNA) where: Base-Base interactions energy: -1259.995 where: short stacking energy: -506.683 Base-Backbone interact. energy: -1.116 local terms energy: -522.750434 where: bonds (distance) C4'-P energy: -89.248 bonds (distance) P-C4' energy: -105.808 flat angles C4'-P-C4' energy: -113.136 flat angles P-C4'-P energy: -74.166 tors. eta vs tors. theta energy: -140.393 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: 6, replica: 5 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1631.189105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.189105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.189105 (E_RNA) where: Base-Base interactions energy: -1120.372 where: short stacking energy: -461.153 Base-Backbone interact. energy: 3.721 local terms energy: -514.538160 where: bonds (distance) C4'-P energy: -90.413 bonds (distance) P-C4' energy: -105.015 flat angles C4'-P-C4' energy: -110.536 flat angles P-C4'-P energy: -73.565 tors. eta vs tors. theta energy: -135.010 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: 9 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1447.270331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.270331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.270331 (E_RNA) where: Base-Base interactions energy: -957.666 where: short stacking energy: -401.720 Base-Backbone interact. energy: 1.975 local terms energy: -491.579418 where: bonds (distance) C4'-P energy: -104.660 bonds (distance) P-C4' energy: -110.061 flat angles C4'-P-C4' energy: -100.260 flat angles P-C4'-P energy: -72.567 tors. eta vs tors. theta energy: -104.032 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: 6 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1399.563368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.563368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.563368 (E_RNA) where: Base-Base interactions energy: -962.143 where: short stacking energy: -397.043 Base-Backbone interact. energy: 1.730 local terms energy: -439.150900 where: bonds (distance) C4'-P energy: -70.926 bonds (distance) P-C4' energy: -104.063 flat angles C4'-P-C4' energy: -102.903 flat angles P-C4'-P energy: -68.198 tors. eta vs tors. theta energy: -93.061 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: 10 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1259.494227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.494227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.494227 (E_RNA) where: Base-Base interactions energy: -853.908 where: short stacking energy: -355.187 Base-Backbone interact. energy: 2.708 local terms energy: -408.293560 where: bonds (distance) C4'-P energy: -82.160 bonds (distance) P-C4' energy: -95.454 flat angles C4'-P-C4' energy: -92.515 flat angles P-C4'-P energy: -66.233 tors. eta vs tors. theta energy: -71.932 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: 7 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -1089.074910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.074910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.074910 (E_RNA) where: Base-Base interactions energy: -704.696 where: short stacking energy: -308.827 Base-Backbone interact. energy: 8.527 local terms energy: -392.905909 where: bonds (distance) C4'-P energy: -89.223 bonds (distance) P-C4' energy: -104.579 flat angles C4'-P-C4' energy: -84.199 flat angles P-C4'-P energy: -58.525 tors. eta vs tors. theta energy: -56.379 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: 1, replica: 2 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1938.848601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.848601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.848601 (E_RNA) where: Base-Base interactions energy: -1362.573 where: short stacking energy: -550.204 Base-Backbone interact. energy: -2.439 local terms energy: -573.836774 where: bonds (distance) C4'-P energy: -100.681 bonds (distance) P-C4' energy: -114.793 flat angles C4'-P-C4' energy: -111.486 flat angles P-C4'-P energy: -88.187 tors. eta vs tors. theta energy: -158.689 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: 8 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1905.810437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.810437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.810437 (E_RNA) where: Base-Base interactions energy: -1337.311 where: short stacking energy: -560.831 Base-Backbone interact. energy: 1.978 local terms energy: -570.477556 where: bonds (distance) C4'-P energy: -105.314 bonds (distance) P-C4' energy: -118.331 flat angles C4'-P-C4' energy: -111.695 flat angles P-C4'-P energy: -81.673 tors. eta vs tors. theta energy: -153.466 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: 3, replica: 3 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1862.598533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.598533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.598533 (E_RNA) where: Base-Base interactions energy: -1299.485 where: short stacking energy: -535.713 Base-Backbone interact. energy: -1.473 local terms energy: -561.640667 where: bonds (distance) C4'-P energy: -103.620 bonds (distance) P-C4' energy: -105.633 flat angles C4'-P-C4' energy: -117.220 flat angles P-C4'-P energy: -80.139 tors. eta vs tors. theta energy: -155.028 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: 4, replica: 4 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1770.112020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.112020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.112020 (E_RNA) where: Base-Base interactions energy: -1237.041 where: short stacking energy: -507.648 Base-Backbone interact. energy: -2.314 local terms energy: -530.756895 where: bonds (distance) C4'-P energy: -102.333 bonds (distance) P-C4' energy: -100.276 flat angles C4'-P-C4' energy: -117.761 flat angles P-C4'-P energy: -76.265 tors. eta vs tors. theta energy: -134.122 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: 5, replica: 1 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1757.019616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.019616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.019616 (E_RNA) where: Base-Base interactions energy: -1247.039 where: short stacking energy: -497.303 Base-Backbone interact. energy: -0.329 local terms energy: -509.651228 where: bonds (distance) C4'-P energy: -93.665 bonds (distance) P-C4' energy: -92.111 flat angles C4'-P-C4' energy: -108.872 flat angles P-C4'-P energy: -74.593 tors. eta vs tors. theta energy: -140.410 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: 5 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1570.920047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.920047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.920047 (E_RNA) where: Base-Base interactions energy: -1098.390 where: short stacking energy: -444.372 Base-Backbone interact. energy: -0.256 local terms energy: -472.273509 where: bonds (distance) C4'-P energy: -93.024 bonds (distance) P-C4' energy: -97.468 flat angles C4'-P-C4' energy: -98.962 flat angles P-C4'-P energy: -74.225 tors. eta vs tors. theta energy: -108.595 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: 9 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1458.300603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.300603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.300603 (E_RNA) where: Base-Base interactions energy: -979.290 where: short stacking energy: -417.684 Base-Backbone interact. energy: 3.261 local terms energy: -482.272351 where: bonds (distance) C4'-P energy: -88.097 bonds (distance) P-C4' energy: -102.694 flat angles C4'-P-C4' energy: -97.073 flat angles P-C4'-P energy: -77.217 tors. eta vs tors. theta energy: -117.191 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: 234 Temperature: 1.250000 Total energy: -1397.892738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.892738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.892738 (E_RNA) where: Base-Base interactions energy: -957.580 where: short stacking energy: -402.951 Base-Backbone interact. energy: -0.857 local terms energy: -439.455889 where: bonds (distance) C4'-P energy: -87.074 bonds (distance) P-C4' energy: -83.887 flat angles C4'-P-C4' energy: -96.461 flat angles P-C4'-P energy: -74.408 tors. eta vs tors. theta energy: -97.626 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: 9, replica: 10 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1270.593080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.593080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.593080 (E_RNA) where: Base-Base interactions energy: -848.052 where: short stacking energy: -366.990 Base-Backbone interact. energy: 0.194 local terms energy: -422.734912 where: bonds (distance) C4'-P energy: -95.435 bonds (distance) P-C4' energy: -97.787 flat angles C4'-P-C4' energy: -97.001 flat angles P-C4'-P energy: -59.628 tors. eta vs tors. theta energy: -72.883 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: 7 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -1138.861908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.861908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.861908 (E_RNA) where: Base-Base interactions energy: -724.705 where: short stacking energy: -311.156 Base-Backbone interact. energy: -1.781 local terms energy: -412.376179 where: bonds (distance) C4'-P energy: -88.744 bonds (distance) P-C4' energy: -99.186 flat angles C4'-P-C4' energy: -99.089 flat angles P-C4'-P energy: -58.742 tors. eta vs tors. theta energy: -66.615 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: 1, replica: 2 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1948.404978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.404978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.404978 (E_RNA) where: Base-Base interactions energy: -1379.232 where: short stacking energy: -561.106 Base-Backbone interact. energy: -0.620 local terms energy: -568.552732 where: bonds (distance) C4'-P energy: -106.077 bonds (distance) P-C4' energy: -113.567 flat angles C4'-P-C4' energy: -108.761 flat angles P-C4'-P energy: -77.762 tors. eta vs tors. theta energy: -162.386 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: 2, replica: 8 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1885.283701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.283701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.283701 (E_RNA) where: Base-Base interactions energy: -1331.564 where: short stacking energy: -559.036 Base-Backbone interact. energy: -0.379 local terms energy: -553.340817 where: bonds (distance) C4'-P energy: -88.249 bonds (distance) P-C4' energy: -112.187 flat angles C4'-P-C4' energy: -120.996 flat angles P-C4'-P energy: -78.017 tors. eta vs tors. theta energy: -153.892 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: 3, replica: 3 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1846.105931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.105931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.105931 (E_RNA) where: Base-Base interactions energy: -1285.334 where: short stacking energy: -536.512 Base-Backbone interact. energy: 0.129 local terms energy: -560.900503 where: bonds (distance) C4'-P energy: -102.696 bonds (distance) P-C4' energy: -108.422 flat angles C4'-P-C4' energy: -117.763 flat angles P-C4'-P energy: -81.329 tors. eta vs tors. theta energy: -150.691 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: 4, replica: 4 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1749.651332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.651332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.651332 (E_RNA) where: Base-Base interactions energy: -1213.336 where: short stacking energy: -516.580 Base-Backbone interact. energy: -1.099 local terms energy: -535.216953 where: bonds (distance) C4'-P energy: -98.671 bonds (distance) P-C4' energy: -114.567 flat angles C4'-P-C4' energy: -107.685 flat angles P-C4'-P energy: -71.480 tors. eta vs tors. theta energy: -142.813 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: 1 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1773.537399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.537399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.537399 (E_RNA) where: Base-Base interactions energy: -1248.708 where: short stacking energy: -515.960 Base-Backbone interact. energy: 0.300 local terms energy: -525.129337 where: bonds (distance) C4'-P energy: -92.056 bonds (distance) P-C4' energy: -101.228 flat angles C4'-P-C4' energy: -108.467 flat angles P-C4'-P energy: -76.680 tors. eta vs tors. theta energy: -146.699 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: 5 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1566.863945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.863945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.863945 (E_RNA) where: Base-Base interactions energy: -1103.226 where: short stacking energy: -438.407 Base-Backbone interact. energy: -4.182 local terms energy: -459.455603 where: bonds (distance) C4'-P energy: -85.775 bonds (distance) P-C4' energy: -102.203 flat angles C4'-P-C4' energy: -103.497 flat angles P-C4'-P energy: -56.080 tors. eta vs tors. theta energy: -111.902 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: 7, replica: 9 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1447.658032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.658032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.658032 (E_RNA) where: Base-Base interactions energy: -987.081 where: short stacking energy: -427.873 Base-Backbone interact. energy: -0.508 local terms energy: -460.069732 where: bonds (distance) C4'-P energy: -91.666 bonds (distance) P-C4' energy: -110.090 flat angles C4'-P-C4' energy: -96.747 flat angles P-C4'-P energy: -54.264 tors. eta vs tors. theta energy: -107.303 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: 6 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1343.083507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.083507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.083507 (E_RNA) where: Base-Base interactions energy: -909.035 where: short stacking energy: -373.851 Base-Backbone interact. energy: 4.038 local terms energy: -438.085928 where: bonds (distance) C4'-P energy: -95.621 bonds (distance) P-C4' energy: -104.204 flat angles C4'-P-C4' energy: -101.388 flat angles P-C4'-P energy: -66.512 tors. eta vs tors. theta energy: -70.362 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: 10 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1252.473029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.473029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.473029 (E_RNA) where: Base-Base interactions energy: -832.212 where: short stacking energy: -359.877 Base-Backbone interact. energy: 1.242 local terms energy: -421.503477 where: bonds (distance) C4'-P energy: -88.702 bonds (distance) P-C4' energy: -92.923 flat angles C4'-P-C4' energy: -94.174 flat angles P-C4'-P energy: -56.641 tors. eta vs tors. theta energy: -89.063 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: 7 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -1122.327995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.327995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.327995 (E_RNA) where: Base-Base interactions energy: -746.814 where: short stacking energy: -332.429 Base-Backbone interact. energy: 9.174 local terms energy: -384.687964 where: bonds (distance) C4'-P energy: -90.475 bonds (distance) P-C4' energy: -92.649 flat angles C4'-P-C4' energy: -84.127 flat angles P-C4'-P energy: -52.267 tors. eta vs tors. theta energy: -65.170 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: 1, replica: 8 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1922.650362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.650362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.650362 (E_RNA) where: Base-Base interactions energy: -1342.447 where: short stacking energy: -556.536 Base-Backbone interact. energy: 2.751 local terms energy: -582.954395 where: bonds (distance) C4'-P energy: -107.331 bonds (distance) P-C4' energy: -111.566 flat angles C4'-P-C4' energy: -124.386 flat angles P-C4'-P energy: -80.660 tors. eta vs tors. theta energy: -159.012 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: 2, replica: 2 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1897.478943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.478943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.478943 (E_RNA) where: Base-Base interactions energy: -1336.463 where: short stacking energy: -558.861 Base-Backbone interact. energy: -1.682 local terms energy: -559.334282 where: bonds (distance) C4'-P energy: -96.071 bonds (distance) P-C4' energy: -113.820 flat angles C4'-P-C4' energy: -110.017 flat angles P-C4'-P energy: -84.146 tors. eta vs tors. theta energy: -155.280 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: 3 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1841.198115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.198115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.198115 (E_RNA) where: Base-Base interactions energy: -1288.420 where: short stacking energy: -530.675 Base-Backbone interact. energy: -0.311 local terms energy: -552.467554 where: bonds (distance) C4'-P energy: -93.149 bonds (distance) P-C4' energy: -112.527 flat angles C4'-P-C4' energy: -123.684 flat angles P-C4'-P energy: -66.471 tors. eta vs tors. theta energy: -156.636 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: 4, replica: 4 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1769.086239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.086239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.086239 (E_RNA) where: Base-Base interactions energy: -1225.572 where: short stacking energy: -518.238 Base-Backbone interact. energy: -0.132 local terms energy: -543.382643 where: bonds (distance) C4'-P energy: -93.926 bonds (distance) P-C4' energy: -108.420 flat angles C4'-P-C4' energy: -114.672 flat angles P-C4'-P energy: -84.318 tors. eta vs tors. theta energy: -142.047 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: 5, replica: 1 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1763.139132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.139132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.139132 (E_RNA) where: Base-Base interactions energy: -1241.512 where: short stacking energy: -486.949 Base-Backbone interact. energy: -5.308 local terms energy: -516.319256 where: bonds (distance) C4'-P energy: -97.330 bonds (distance) P-C4' energy: -108.556 flat angles C4'-P-C4' energy: -103.488 flat angles P-C4'-P energy: -77.998 tors. eta vs tors. theta energy: -128.947 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: 6, replica: 5 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1580.076188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.076188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.076188 (E_RNA) where: Base-Base interactions energy: -1073.394 where: short stacking energy: -446.427 Base-Backbone interact. energy: -1.168 local terms energy: -505.514040 where: bonds (distance) C4'-P energy: -98.668 bonds (distance) P-C4' energy: -110.004 flat angles C4'-P-C4' energy: -105.043 flat angles P-C4'-P energy: -68.652 tors. eta vs tors. theta energy: -123.148 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: 7, replica: 9 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1423.295717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.295717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.295717 (E_RNA) where: Base-Base interactions energy: -999.673 where: short stacking energy: -427.617 Base-Backbone interact. energy: -0.072 local terms energy: -423.551255 where: bonds (distance) C4'-P energy: -70.364 bonds (distance) P-C4' energy: -97.328 flat angles C4'-P-C4' energy: -92.466 flat angles P-C4'-P energy: -60.626 tors. eta vs tors. theta energy: -102.767 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: 6 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1352.682711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.682711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.682711 (E_RNA) where: Base-Base interactions energy: -911.630 where: short stacking energy: -383.828 Base-Backbone interact. energy: -2.358 local terms energy: -438.694977 where: bonds (distance) C4'-P energy: -93.392 bonds (distance) P-C4' energy: -98.220 flat angles C4'-P-C4' energy: -95.698 flat angles P-C4'-P energy: -59.751 tors. eta vs tors. theta energy: -91.634 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: 10 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1217.179146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.179146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.179146 (E_RNA) where: Base-Base interactions energy: -808.907 where: short stacking energy: -350.373 Base-Backbone interact. energy: 2.107 local terms energy: -410.378675 where: bonds (distance) C4'-P energy: -66.317 bonds (distance) P-C4' energy: -102.143 flat angles C4'-P-C4' energy: -99.201 flat angles P-C4'-P energy: -65.303 tors. eta vs tors. theta energy: -77.414 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: 10, replica: 7 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -1115.935183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.935183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.935183 (E_RNA) where: Base-Base interactions energy: -729.320 where: short stacking energy: -324.557 Base-Backbone interact. energy: 3.224 local terms energy: -389.839348 where: bonds (distance) C4'-P energy: -87.587 bonds (distance) P-C4' energy: -99.948 flat angles C4'-P-C4' energy: -97.446 flat angles P-C4'-P energy: -42.026 tors. eta vs tors. theta energy: -62.832 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: 8 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1935.365828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.365828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.365828 (E_RNA) where: Base-Base interactions energy: -1362.627 where: short stacking energy: -568.469 Base-Backbone interact. energy: -3.036 local terms energy: -569.702895 where: bonds (distance) C4'-P energy: -95.837 bonds (distance) P-C4' energy: -110.798 flat angles C4'-P-C4' energy: -117.546 flat angles P-C4'-P energy: -81.108 tors. eta vs tors. theta energy: -164.414 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: 2 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1884.293702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.293702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.293702 (E_RNA) where: Base-Base interactions energy: -1328.041 where: short stacking energy: -545.952 Base-Backbone interact. energy: 1.089 local terms energy: -557.341794 where: bonds (distance) C4'-P energy: -96.252 bonds (distance) P-C4' energy: -113.710 flat angles C4'-P-C4' energy: -114.778 flat angles P-C4'-P energy: -71.719 tors. eta vs tors. theta energy: -160.883 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: 3, replica: 3 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1840.748869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.748869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.748869 (E_RNA) where: Base-Base interactions energy: -1284.103 where: short stacking energy: -521.408 Base-Backbone interact. energy: 1.102 local terms energy: -557.747937 where: bonds (distance) C4'-P energy: -102.875 bonds (distance) P-C4' energy: -110.238 flat angles C4'-P-C4' energy: -114.015 flat angles P-C4'-P energy: -76.349 tors. eta vs tors. theta energy: -154.270 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: 4, replica: 1 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1791.659579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.659579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.659579 (E_RNA) where: Base-Base interactions energy: -1271.534 where: short stacking energy: -532.476 Base-Backbone interact. energy: 0.996 local terms energy: -521.121505 where: bonds (distance) C4'-P energy: -88.991 bonds (distance) P-C4' energy: -99.726 flat angles C4'-P-C4' energy: -119.784 flat angles P-C4'-P energy: -70.256 tors. eta vs tors. theta energy: -142.365 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: 5, replica: 4 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1756.938526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.938526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.938526 (E_RNA) where: Base-Base interactions energy: -1241.611 where: short stacking energy: -514.748 Base-Backbone interact. energy: -1.079 local terms energy: -514.248483 where: bonds (distance) C4'-P energy: -87.716 bonds (distance) P-C4' energy: -98.229 flat angles C4'-P-C4' energy: -113.580 flat angles P-C4'-P energy: -76.433 tors. eta vs tors. theta energy: -138.290 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: 5 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1601.101132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.101132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.101132 (E_RNA) where: Base-Base interactions energy: -1123.494 where: short stacking energy: -452.011 Base-Backbone interact. energy: 0.223 local terms energy: -477.830764 where: bonds (distance) C4'-P energy: -96.592 bonds (distance) P-C4' energy: -112.676 flat angles C4'-P-C4' energy: -102.029 flat angles P-C4'-P energy: -57.626 tors. eta vs tors. theta energy: -108.907 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: 7, replica: 9 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1458.727198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.727198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.727198 (E_RNA) where: Base-Base interactions energy: -1007.287 where: short stacking energy: -413.187 Base-Backbone interact. energy: -1.420 local terms energy: -450.020129 where: bonds (distance) C4'-P energy: -83.071 bonds (distance) P-C4' energy: -107.079 flat angles C4'-P-C4' energy: -96.387 flat angles P-C4'-P energy: -64.332 tors. eta vs tors. theta energy: -99.152 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: 8, replica: 6 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1376.523492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.523492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.523492 (E_RNA) where: Base-Base interactions energy: -940.497 where: short stacking energy: -401.014 Base-Backbone interact. energy: 3.166 local terms energy: -439.192552 where: bonds (distance) C4'-P energy: -91.915 bonds (distance) P-C4' energy: -96.756 flat angles C4'-P-C4' energy: -96.359 flat angles P-C4'-P energy: -56.643 tors. eta vs tors. theta energy: -97.520 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: 9, replica: 10 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1201.924038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.924038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.924038 (E_RNA) where: Base-Base interactions energy: -777.543 where: short stacking energy: -346.672 Base-Backbone interact. energy: 1.456 local terms energy: -425.837109 where: bonds (distance) C4'-P energy: -86.396 bonds (distance) P-C4' energy: -96.354 flat angles C4'-P-C4' energy: -102.686 flat angles P-C4'-P energy: -69.087 tors. eta vs tors. theta energy: -71.314 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: 10, replica: 7 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -1113.806012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.806012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.806012 (E_RNA) where: Base-Base interactions energy: -722.717 where: short stacking energy: -315.995 Base-Backbone interact. energy: -0.352 local terms energy: -390.736812 where: bonds (distance) C4'-P energy: -85.078 bonds (distance) P-C4' energy: -109.254 flat angles C4'-P-C4' energy: -78.727 flat angles P-C4'-P energy: -66.052 tors. eta vs tors. theta energy: -51.625 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: 2 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1900.454428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.454428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.454428 (E_RNA) where: Base-Base interactions energy: -1322.344 where: short stacking energy: -564.682 Base-Backbone interact. energy: -0.605 local terms energy: -577.506066 where: bonds (distance) C4'-P energy: -107.359 bonds (distance) P-C4' energy: -114.650 flat angles C4'-P-C4' energy: -116.402 flat angles P-C4'-P energy: -81.076 tors. eta vs tors. theta energy: -158.020 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: 8 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1886.694436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.694436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.694436 (E_RNA) where: Base-Base interactions energy: -1336.457 where: short stacking energy: -548.633 Base-Backbone interact. energy: -0.290 local terms energy: -549.947400 where: bonds (distance) C4'-P energy: -95.910 bonds (distance) P-C4' energy: -118.302 flat angles C4'-P-C4' energy: -115.055 flat angles P-C4'-P energy: -67.433 tors. eta vs tors. theta energy: -153.247 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: 3, replica: 3 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1819.556375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.556375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.556375 (E_RNA) where: Base-Base interactions energy: -1259.859 where: short stacking energy: -522.601 Base-Backbone interact. energy: 6.051 local terms energy: -565.748113 where: bonds (distance) C4'-P energy: -92.303 bonds (distance) P-C4' energy: -124.419 flat angles C4'-P-C4' energy: -112.706 flat angles P-C4'-P energy: -83.500 tors. eta vs tors. theta energy: -152.820 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: 4, replica: 1 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1805.368180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.368180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.368180 (E_RNA) where: Base-Base interactions energy: -1281.376 where: short stacking energy: -510.731 Base-Backbone interact. energy: 1.668 local terms energy: -525.660880 where: bonds (distance) C4'-P energy: -89.098 bonds (distance) P-C4' energy: -108.944 flat angles C4'-P-C4' energy: -111.055 flat angles P-C4'-P energy: -70.616 tors. eta vs tors. theta energy: -145.947 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: 4 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1730.959049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.959049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.959049 (E_RNA) where: Base-Base interactions energy: -1229.959 where: short stacking energy: -497.342 Base-Backbone interact. energy: 5.486 local terms energy: -506.485898 where: bonds (distance) C4'-P energy: -80.053 bonds (distance) P-C4' energy: -99.875 flat angles C4'-P-C4' energy: -117.939 flat angles P-C4'-P energy: -73.280 tors. eta vs tors. theta energy: -135.338 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: 6, replica: 5 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1621.200789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.200789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.200789 (E_RNA) where: Base-Base interactions energy: -1119.994 where: short stacking energy: -466.737 Base-Backbone interact. energy: 2.108 local terms energy: -503.314601 where: bonds (distance) C4'-P energy: -93.203 bonds (distance) P-C4' energy: -105.153 flat angles C4'-P-C4' energy: -109.520 flat angles P-C4'-P energy: -72.667 tors. eta vs tors. theta energy: -122.771 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: 7, replica: 9 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1463.762484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.762484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.762484 (E_RNA) where: Base-Base interactions energy: -977.419 where: short stacking energy: -428.781 Base-Backbone interact. energy: -2.385 local terms energy: -483.958402 where: bonds (distance) C4'-P energy: -92.890 bonds (distance) P-C4' energy: -105.666 flat angles C4'-P-C4' energy: -108.243 flat angles P-C4'-P energy: -64.522 tors. eta vs tors. theta energy: -112.638 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: 6 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1337.856723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.856723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.856723 (E_RNA) where: Base-Base interactions energy: -900.392 where: short stacking energy: -359.539 Base-Backbone interact. energy: 2.861 local terms energy: -440.325388 where: bonds (distance) C4'-P energy: -94.819 bonds (distance) P-C4' energy: -105.953 flat angles C4'-P-C4' energy: -91.650 flat angles P-C4'-P energy: -57.828 tors. eta vs tors. theta energy: -90.075 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: 9, replica: 10 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1215.533964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.533964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.533964 (E_RNA) where: Base-Base interactions energy: -789.984 where: short stacking energy: -360.378 Base-Backbone interact. energy: 2.141 local terms energy: -427.690787 where: bonds (distance) C4'-P energy: -86.762 bonds (distance) P-C4' energy: -117.154 flat angles C4'-P-C4' energy: -81.308 flat angles P-C4'-P energy: -58.844 tors. eta vs tors. theta energy: -83.622 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: 7 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -1105.472371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.472371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.472371 (E_RNA) where: Base-Base interactions energy: -699.345 where: short stacking energy: -327.402 Base-Backbone interact. energy: 3.501 local terms energy: -409.628567 where: bonds (distance) C4'-P energy: -92.087 bonds (distance) P-C4' energy: -95.288 flat angles C4'-P-C4' energy: -85.844 flat angles P-C4'-P energy: -55.600 tors. eta vs tors. theta energy: -80.810 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: 2 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1910.416984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.416984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.416984 (E_RNA) where: Base-Base interactions energy: -1346.049 where: short stacking energy: -559.879 Base-Backbone interact. energy: -0.583 local terms energy: -563.785084 where: bonds (distance) C4'-P energy: -90.101 bonds (distance) P-C4' energy: -111.200 flat angles C4'-P-C4' energy: -124.084 flat angles P-C4'-P energy: -80.099 tors. eta vs tors. theta energy: -158.301 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: 2, replica: 8 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1869.122297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.122297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.122297 (E_RNA) where: Base-Base interactions energy: -1326.778 where: short stacking energy: -530.163 Base-Backbone interact. energy: 0.652 local terms energy: -542.995990 where: bonds (distance) C4'-P energy: -91.763 bonds (distance) P-C4' energy: -114.895 flat angles C4'-P-C4' energy: -110.135 flat angles P-C4'-P energy: -72.832 tors. eta vs tors. theta energy: -153.372 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: 3, replica: 3 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1813.884325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.884325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.884325 (E_RNA) where: Base-Base interactions energy: -1260.904 where: short stacking energy: -532.740 Base-Backbone interact. energy: 0.153 local terms energy: -553.133243 where: bonds (distance) C4'-P energy: -91.279 bonds (distance) P-C4' energy: -112.395 flat angles C4'-P-C4' energy: -119.965 flat angles P-C4'-P energy: -77.385 tors. eta vs tors. theta energy: -152.109 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: 1 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1799.371660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.371660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.371660 (E_RNA) where: Base-Base interactions energy: -1271.422 where: short stacking energy: -508.200 Base-Backbone interact. energy: -2.231 local terms energy: -525.717755 where: bonds (distance) C4'-P energy: -99.134 bonds (distance) P-C4' energy: -110.831 flat angles C4'-P-C4' energy: -103.600 flat angles P-C4'-P energy: -72.389 tors. eta vs tors. theta energy: -139.763 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: 4 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1744.459807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.459807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.459807 (E_RNA) where: Base-Base interactions energy: -1227.808 where: short stacking energy: -510.964 Base-Backbone interact. energy: -2.069 local terms energy: -514.582181 where: bonds (distance) C4'-P energy: -87.386 bonds (distance) P-C4' energy: -103.629 flat angles C4'-P-C4' energy: -117.581 flat angles P-C4'-P energy: -62.602 tors. eta vs tors. theta energy: -143.384 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: 5 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1611.638731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.638731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.638731 (E_RNA) where: Base-Base interactions energy: -1119.183 where: short stacking energy: -458.900 Base-Backbone interact. energy: 0.148 local terms energy: -492.603669 where: bonds (distance) C4'-P energy: -84.226 bonds (distance) P-C4' energy: -108.304 flat angles C4'-P-C4' energy: -103.973 flat angles P-C4'-P energy: -76.017 tors. eta vs tors. theta energy: -120.084 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: 9 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1490.304154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.304154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.304154 (E_RNA) where: Base-Base interactions energy: -1017.070 where: short stacking energy: -420.499 Base-Backbone interact. energy: -0.488 local terms energy: -472.746806 where: bonds (distance) C4'-P energy: -78.878 bonds (distance) P-C4' energy: -113.656 flat angles C4'-P-C4' energy: -108.163 flat angles P-C4'-P energy: -67.753 tors. eta vs tors. theta energy: -104.298 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: 6 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1341.836670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.836670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.836670 (E_RNA) where: Base-Base interactions energy: -901.983 where: short stacking energy: -392.812 Base-Backbone interact. energy: -0.976 local terms energy: -438.876999 where: bonds (distance) C4'-P energy: -86.000 bonds (distance) P-C4' energy: -89.820 flat angles C4'-P-C4' energy: -100.164 flat angles P-C4'-P energy: -67.227 tors. eta vs tors. theta energy: -95.667 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: 10 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1271.936396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.936396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.936396 (E_RNA) where: Base-Base interactions energy: -852.093 where: short stacking energy: -379.394 Base-Backbone interact. energy: 4.127 local terms energy: -423.970569 where: bonds (distance) C4'-P energy: -76.060 bonds (distance) P-C4' energy: -102.491 flat angles C4'-P-C4' energy: -100.337 flat angles P-C4'-P energy: -68.398 tors. eta vs tors. theta energy: -76.685 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: 7 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -1105.299684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.299684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.299684 (E_RNA) where: Base-Base interactions energy: -711.152 where: short stacking energy: -321.395 Base-Backbone interact. energy: 1.127 local terms energy: -395.275056 where: bonds (distance) C4'-P energy: -90.649 bonds (distance) P-C4' energy: -108.239 flat angles C4'-P-C4' energy: -73.031 flat angles P-C4'-P energy: -61.669 tors. eta vs tors. theta energy: -61.687 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: 2 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1948.526190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.526190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.526190 (E_RNA) where: Base-Base interactions energy: -1387.921 where: short stacking energy: -565.400 Base-Backbone interact. energy: -2.914 local terms energy: -557.690948 where: bonds (distance) C4'-P energy: -92.932 bonds (distance) P-C4' energy: -99.311 flat angles C4'-P-C4' energy: -113.995 flat angles P-C4'-P energy: -92.520 tors. eta vs tors. theta energy: -158.932 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: 8 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1882.040853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.040853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.040853 (E_RNA) where: Base-Base interactions energy: -1316.752 where: short stacking energy: -545.847 Base-Backbone interact. energy: -2.475 local terms energy: -562.813575 where: bonds (distance) C4'-P energy: -92.859 bonds (distance) P-C4' energy: -113.124 flat angles C4'-P-C4' energy: -122.212 flat angles P-C4'-P energy: -78.997 tors. eta vs tors. theta energy: -155.622 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: 3, replica: 1 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1841.365121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.365121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.365121 (E_RNA) where: Base-Base interactions energy: -1298.096 where: short stacking energy: -528.683 Base-Backbone interact. energy: -4.194 local terms energy: -539.074413 where: bonds (distance) C4'-P energy: -92.955 bonds (distance) P-C4' energy: -109.336 flat angles C4'-P-C4' energy: -114.740 flat angles P-C4'-P energy: -75.804 tors. eta vs tors. theta energy: -146.240 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: 3 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1777.357539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.357539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.357539 (E_RNA) where: Base-Base interactions energy: -1234.870 where: short stacking energy: -525.292 Base-Backbone interact. energy: -1.651 local terms energy: -540.836649 where: bonds (distance) C4'-P energy: -96.668 bonds (distance) P-C4' energy: -104.696 flat angles C4'-P-C4' energy: -116.890 flat angles P-C4'-P energy: -78.278 tors. eta vs tors. theta energy: -144.305 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: 5, replica: 4 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1742.534835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.534835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.534835 (E_RNA) where: Base-Base interactions energy: -1218.516 where: short stacking energy: -500.960 Base-Backbone interact. energy: -0.833 local terms energy: -523.186116 where: bonds (distance) C4'-P energy: -85.269 bonds (distance) P-C4' energy: -111.948 flat angles C4'-P-C4' energy: -114.496 flat angles P-C4'-P energy: -72.702 tors. eta vs tors. theta energy: -138.771 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: 5 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1595.382396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.382396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.382396 (E_RNA) where: Base-Base interactions energy: -1094.611 where: short stacking energy: -450.159 Base-Backbone interact. energy: 0.983 local terms energy: -501.754824 where: bonds (distance) C4'-P energy: -94.608 bonds (distance) P-C4' energy: -113.929 flat angles C4'-P-C4' energy: -105.378 flat angles P-C4'-P energy: -72.830 tors. eta vs tors. theta energy: -115.011 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: 9 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1490.754262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.754262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.754262 (E_RNA) where: Base-Base interactions energy: -1022.808 where: short stacking energy: -412.967 Base-Backbone interact. energy: 0.321 local terms energy: -468.266791 where: bonds (distance) C4'-P energy: -102.089 bonds (distance) P-C4' energy: -93.091 flat angles C4'-P-C4' energy: -95.342 flat angles P-C4'-P energy: -69.166 tors. eta vs tors. theta energy: -108.578 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: 8, replica: 6 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1305.978667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.978667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.978667 (E_RNA) where: Base-Base interactions energy: -871.972 where: short stacking energy: -382.801 Base-Backbone interact. energy: -0.535 local terms energy: -433.471694 where: bonds (distance) C4'-P energy: -79.234 bonds (distance) P-C4' energy: -97.876 flat angles C4'-P-C4' energy: -104.489 flat angles P-C4'-P energy: -68.097 tors. eta vs tors. theta energy: -83.777 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: 9, replica: 10 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1293.702225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.702225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.702225 (E_RNA) where: Base-Base interactions energy: -843.591 where: short stacking energy: -362.333 Base-Backbone interact. energy: -0.050 local terms energy: -450.060734 where: bonds (distance) C4'-P energy: -94.171 bonds (distance) P-C4' energy: -90.193 flat angles C4'-P-C4' energy: -96.632 flat angles P-C4'-P energy: -76.782 tors. eta vs tors. theta energy: -92.283 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: 10, replica: 7 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -1104.161993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.161993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.161993 (E_RNA) where: Base-Base interactions energy: -709.266 where: short stacking energy: -302.583 Base-Backbone interact. energy: -1.073 local terms energy: -393.823168 where: bonds (distance) C4'-P energy: -82.294 bonds (distance) P-C4' energy: -99.799 flat angles C4'-P-C4' energy: -95.086 flat angles P-C4'-P energy: -62.304 tors. eta vs tors. theta energy: -54.340 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: 2 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1895.532904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.532904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.532904 (E_RNA) where: Base-Base interactions energy: -1332.271 where: short stacking energy: -541.635 Base-Backbone interact. energy: -1.075 local terms energy: -562.186947 where: bonds (distance) C4'-P energy: -109.294 bonds (distance) P-C4' energy: -119.059 flat angles C4'-P-C4' energy: -113.167 flat angles P-C4'-P energy: -72.175 tors. eta vs tors. theta energy: -148.492 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: 8 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1895.233282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.233282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.233282 (E_RNA) where: Base-Base interactions energy: -1331.422 where: short stacking energy: -544.979 Base-Backbone interact. energy: -1.413 local terms energy: -562.398610 where: bonds (distance) C4'-P energy: -100.092 bonds (distance) P-C4' energy: -108.317 flat angles C4'-P-C4' energy: -115.451 flat angles P-C4'-P energy: -78.557 tors. eta vs tors. theta energy: -159.981 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: 1 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1840.112214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.112214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.112214 (E_RNA) where: Base-Base interactions energy: -1292.109 where: short stacking energy: -523.113 Base-Backbone interact. energy: -1.316 local terms energy: -546.686485 where: bonds (distance) C4'-P energy: -98.826 bonds (distance) P-C4' energy: -110.402 flat angles C4'-P-C4' energy: -115.056 flat angles P-C4'-P energy: -75.950 tors. eta vs tors. theta energy: -146.453 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: 241 Temperature: 1.050000 Total energy: -1792.590409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.590409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.590409 (E_RNA) where: Base-Base interactions energy: -1239.702 where: short stacking energy: -495.414 Base-Backbone interact. energy: -3.239 local terms energy: -549.649610 where: bonds (distance) C4'-P energy: -100.623 bonds (distance) P-C4' energy: -102.240 flat angles C4'-P-C4' energy: -117.735 flat angles P-C4'-P energy: -81.676 tors. eta vs tors. theta energy: -147.376 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: 4 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1737.000786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.000786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.000786 (E_RNA) where: Base-Base interactions energy: -1222.285 where: short stacking energy: -493.306 Base-Backbone interact. energy: -1.346 local terms energy: -513.370001 where: bonds (distance) C4'-P energy: -92.270 bonds (distance) P-C4' energy: -85.853 flat angles C4'-P-C4' energy: -112.652 flat angles P-C4'-P energy: -79.131 tors. eta vs tors. theta energy: -143.464 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: 5 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1576.879559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.879559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.879559 (E_RNA) where: Base-Base interactions energy: -1093.974 where: short stacking energy: -447.974 Base-Backbone interact. energy: 2.591 local terms energy: -485.496736 where: bonds (distance) C4'-P energy: -87.910 bonds (distance) P-C4' energy: -107.665 flat angles C4'-P-C4' energy: -100.323 flat angles P-C4'-P energy: -73.767 tors. eta vs tors. theta energy: -115.831 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: 9 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1492.346569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.346569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.346569 (E_RNA) where: Base-Base interactions energy: -1047.133 where: short stacking energy: -443.878 Base-Backbone interact. energy: -0.581 local terms energy: -444.632946 where: bonds (distance) C4'-P energy: -85.186 bonds (distance) P-C4' energy: -93.814 flat angles C4'-P-C4' energy: -94.702 flat angles P-C4'-P energy: -61.105 tors. eta vs tors. theta energy: -109.826 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: 241 Temperature: 1.250000 Total energy: -1308.395543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.395543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.395543 (E_RNA) where: Base-Base interactions energy: -882.571 where: short stacking energy: -382.289 Base-Backbone interact. energy: 0.987 local terms energy: -426.811046 where: bonds (distance) C4'-P energy: -82.471 bonds (distance) P-C4' energy: -109.652 flat angles C4'-P-C4' energy: -98.829 flat angles P-C4'-P energy: -55.652 tors. eta vs tors. theta energy: -80.206 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: 9, replica: 10 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1257.995545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.995545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.995545 (E_RNA) where: Base-Base interactions energy: -813.354 where: short stacking energy: -351.019 Base-Backbone interact. energy: -1.239 local terms energy: -443.402029 where: bonds (distance) C4'-P energy: -90.930 bonds (distance) P-C4' energy: -105.387 flat angles C4'-P-C4' energy: -104.754 flat angles P-C4'-P energy: -62.870 tors. eta vs tors. theta energy: -79.460 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: 10, replica: 7 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -1096.675825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.675825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.675825 (E_RNA) where: Base-Base interactions energy: -701.647 where: short stacking energy: -324.819 Base-Backbone interact. energy: -0.044 local terms energy: -394.984396 where: bonds (distance) C4'-P energy: -85.281 bonds (distance) P-C4' energy: -106.514 flat angles C4'-P-C4' energy: -92.033 flat angles P-C4'-P energy: -46.614 tors. eta vs tors. theta energy: -64.542 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: 8 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1917.086808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.086808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.086808 (E_RNA) where: Base-Base interactions energy: -1332.707 where: short stacking energy: -551.168 Base-Backbone interact. energy: -0.276 local terms energy: -584.103745 where: bonds (distance) C4'-P energy: -97.639 bonds (distance) P-C4' energy: -114.754 flat angles C4'-P-C4' energy: -123.409 flat angles P-C4'-P energy: -87.968 tors. eta vs tors. theta energy: -160.334 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: 2 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1873.181135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.181135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.181135 (E_RNA) where: Base-Base interactions energy: -1326.218 where: short stacking energy: -544.906 Base-Backbone interact. energy: -1.343 local terms energy: -545.620778 where: bonds (distance) C4'-P energy: -89.600 bonds (distance) P-C4' energy: -110.157 flat angles C4'-P-C4' energy: -116.274 flat angles P-C4'-P energy: -75.236 tors. eta vs tors. theta energy: -154.353 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: 3, replica: 1 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1843.257969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.257969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.257969 (E_RNA) where: Base-Base interactions energy: -1272.440 where: short stacking energy: -537.081 Base-Backbone interact. energy: -1.180 local terms energy: -569.638717 where: bonds (distance) C4'-P energy: -99.912 bonds (distance) P-C4' energy: -109.901 flat angles C4'-P-C4' energy: -124.184 flat angles P-C4'-P energy: -78.338 tors. eta vs tors. theta energy: -157.304 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: 3 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1806.443526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.443526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.443526 (E_RNA) where: Base-Base interactions energy: -1261.285 where: short stacking energy: -506.636 Base-Backbone interact. energy: -2.163 local terms energy: -542.995636 where: bonds (distance) C4'-P energy: -96.083 bonds (distance) P-C4' energy: -116.339 flat angles C4'-P-C4' energy: -108.202 flat angles P-C4'-P energy: -76.305 tors. eta vs tors. theta energy: -146.067 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: 4 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1721.900573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.900573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.900573 (E_RNA) where: Base-Base interactions energy: -1183.161 where: short stacking energy: -502.153 Base-Backbone interact. energy: 0.504 local terms energy: -539.243397 where: bonds (distance) C4'-P energy: -92.105 bonds (distance) P-C4' energy: -109.933 flat angles C4'-P-C4' energy: -118.672 flat angles P-C4'-P energy: -66.822 tors. eta vs tors. theta energy: -151.712 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: 5 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1582.018998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.018998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.018998 (E_RNA) where: Base-Base interactions energy: -1074.640 where: short stacking energy: -450.993 Base-Backbone interact. energy: 0.142 local terms energy: -507.521733 where: bonds (distance) C4'-P energy: -91.559 bonds (distance) P-C4' energy: -112.024 flat angles C4'-P-C4' energy: -107.215 flat angles P-C4'-P energy: -73.082 tors. eta vs tors. theta energy: -123.642 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: 7, replica: 9 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1429.061027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.061027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.061027 (E_RNA) where: Base-Base interactions energy: -960.050 where: short stacking energy: -415.744 Base-Backbone interact. energy: -0.975 local terms energy: -468.036165 where: bonds (distance) C4'-P energy: -85.863 bonds (distance) P-C4' energy: -94.049 flat angles C4'-P-C4' energy: -109.149 flat angles P-C4'-P energy: -73.344 tors. eta vs tors. theta energy: -105.631 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: 6 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1273.356737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.356737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.356737 (E_RNA) where: Base-Base interactions energy: -857.664 where: short stacking energy: -366.243 Base-Backbone interact. energy: 5.391 local terms energy: -421.083133 where: bonds (distance) C4'-P energy: -79.979 bonds (distance) P-C4' energy: -94.148 flat angles C4'-P-C4' energy: -106.469 flat angles P-C4'-P energy: -65.094 tors. eta vs tors. theta energy: -75.393 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: 9, replica: 10 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1270.255367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.255367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.255367 (E_RNA) where: Base-Base interactions energy: -848.617 where: short stacking energy: -360.795 Base-Backbone interact. energy: 0.216 local terms energy: -421.854436 where: bonds (distance) C4'-P energy: -74.085 bonds (distance) P-C4' energy: -101.769 flat angles C4'-P-C4' energy: -88.312 flat angles P-C4'-P energy: -72.518 tors. eta vs tors. theta energy: -85.170 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: 7 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -1108.598558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.598558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.598558 (E_RNA) where: Base-Base interactions energy: -708.481 where: short stacking energy: -314.567 Base-Backbone interact. energy: 0.269 local terms energy: -400.387354 where: bonds (distance) C4'-P energy: -85.560 bonds (distance) P-C4' energy: -104.023 flat angles C4'-P-C4' energy: -94.772 flat angles P-C4'-P energy: -59.873 tors. eta vs tors. theta energy: -56.159 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: 1, replica: 8 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1902.299210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.299210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.299210 (E_RNA) where: Base-Base interactions energy: -1338.808 where: short stacking energy: -538.456 Base-Backbone interact. energy: 1.867 local terms energy: -565.358400 where: bonds (distance) C4'-P energy: -104.651 bonds (distance) P-C4' energy: -112.202 flat angles C4'-P-C4' energy: -113.352 flat angles P-C4'-P energy: -83.092 tors. eta vs tors. theta energy: -152.062 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: 2, replica: 2 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1892.665148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.665148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.665148 (E_RNA) where: Base-Base interactions energy: -1326.372 where: short stacking energy: -550.087 Base-Backbone interact. energy: 1.146 local terms energy: -567.439090 where: bonds (distance) C4'-P energy: -94.626 bonds (distance) P-C4' energy: -116.277 flat angles C4'-P-C4' energy: -113.574 flat angles P-C4'-P energy: -81.214 tors. eta vs tors. theta energy: -161.748 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: 3, replica: 1 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1860.862918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.862918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.862918 (E_RNA) where: Base-Base interactions energy: -1305.534 where: short stacking energy: -548.795 Base-Backbone interact. energy: -3.214 local terms energy: -552.114091 where: bonds (distance) C4'-P energy: -96.513 bonds (distance) P-C4' energy: -108.733 flat angles C4'-P-C4' energy: -114.335 flat angles P-C4'-P energy: -85.208 tors. eta vs tors. theta energy: -147.325 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: 4, replica: 3 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1822.184532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.184532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.184532 (E_RNA) where: Base-Base interactions energy: -1289.678 where: short stacking energy: -537.195 Base-Backbone interact. energy: -1.481 local terms energy: -531.025431 where: bonds (distance) C4'-P energy: -99.443 bonds (distance) P-C4' energy: -101.344 flat angles C4'-P-C4' energy: -112.135 flat angles P-C4'-P energy: -64.820 tors. eta vs tors. theta energy: -153.284 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: 4 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1720.038746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.038746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.038746 (E_RNA) where: Base-Base interactions energy: -1192.282 where: short stacking energy: -514.395 Base-Backbone interact. energy: 2.549 local terms energy: -530.305594 where: bonds (distance) C4'-P energy: -94.488 bonds (distance) P-C4' energy: -108.971 flat angles C4'-P-C4' energy: -107.138 flat angles P-C4'-P energy: -76.523 tors. eta vs tors. theta energy: -143.185 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: 6, replica: 5 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1598.875429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.875429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.875429 (E_RNA) where: Base-Base interactions energy: -1110.554 where: short stacking energy: -446.428 Base-Backbone interact. energy: -1.813 local terms energy: -486.508415 where: bonds (distance) C4'-P energy: -84.145 bonds (distance) P-C4' energy: -107.343 flat angles C4'-P-C4' energy: -112.942 flat angles P-C4'-P energy: -69.352 tors. eta vs tors. theta energy: -112.727 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: 7, replica: 9 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1428.355886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.355886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.355886 (E_RNA) where: Base-Base interactions energy: -983.921 where: short stacking energy: -405.664 Base-Backbone interact. energy: -1.084 local terms energy: -443.351564 where: bonds (distance) C4'-P energy: -81.842 bonds (distance) P-C4' energy: -97.946 flat angles C4'-P-C4' energy: -98.207 flat angles P-C4'-P energy: -69.853 tors. eta vs tors. theta energy: -95.503 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: 8, replica: 10 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1281.250765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.250765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.250765 (E_RNA) where: Base-Base interactions energy: -868.844 where: short stacking energy: -389.748 Base-Backbone interact. energy: -1.086 local terms energy: -411.321200 where: bonds (distance) C4'-P energy: -74.185 bonds (distance) P-C4' energy: -100.147 flat angles C4'-P-C4' energy: -95.414 flat angles P-C4'-P energy: -64.707 tors. eta vs tors. theta energy: -76.868 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: 9, replica: 6 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1280.316545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.316545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.316545 (E_RNA) where: Base-Base interactions energy: -848.327 where: short stacking energy: -352.657 Base-Backbone interact. energy: 2.436 local terms energy: -434.425097 where: bonds (distance) C4'-P energy: -90.471 bonds (distance) P-C4' energy: -99.724 flat angles C4'-P-C4' energy: -89.295 flat angles P-C4'-P energy: -68.502 tors. eta vs tors. theta energy: -86.434 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: 7 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -1084.248159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.248159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.248159 (E_RNA) where: Base-Base interactions energy: -699.593 where: short stacking energy: -291.727 Base-Backbone interact. energy: 1.777 local terms energy: -386.431674 where: bonds (distance) C4'-P energy: -81.298 bonds (distance) P-C4' energy: -106.203 flat angles C4'-P-C4' energy: -85.730 flat angles P-C4'-P energy: -53.852 tors. eta vs tors. theta energy: -59.349 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: 1, replica: 8 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1932.634787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.634787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.634787 (E_RNA) where: Base-Base interactions energy: -1361.170 where: short stacking energy: -566.410 Base-Backbone interact. energy: -1.493 local terms energy: -569.971249 where: bonds (distance) C4'-P energy: -93.572 bonds (distance) P-C4' energy: -111.993 flat angles C4'-P-C4' energy: -118.056 flat angles P-C4'-P energy: -83.340 tors. eta vs tors. theta energy: -163.010 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: 2, replica: 2 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1885.940026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.940026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.940026 (E_RNA) where: Base-Base interactions energy: -1340.452 where: short stacking energy: -553.442 Base-Backbone interact. energy: 5.632 local terms energy: -551.120352 where: bonds (distance) C4'-P energy: -91.830 bonds (distance) P-C4' energy: -101.502 flat angles C4'-P-C4' energy: -113.363 flat angles P-C4'-P energy: -84.798 tors. eta vs tors. theta energy: -159.627 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: 244 Temperature: 1.000000 Total energy: -1832.020818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.020818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.020818 (E_RNA) where: Base-Base interactions energy: -1273.564 where: short stacking energy: -534.106 Base-Backbone interact. energy: -1.954 local terms energy: -556.502640 where: bonds (distance) C4'-P energy: -96.942 bonds (distance) P-C4' energy: -107.948 flat angles C4'-P-C4' energy: -118.074 flat angles P-C4'-P energy: -80.212 tors. eta vs tors. theta energy: -153.326 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: 3 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1824.531948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.531948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.531948 (E_RNA) where: Base-Base interactions energy: -1292.407 where: short stacking energy: -532.156 Base-Backbone interact. energy: 0.440 local terms energy: -532.565011 where: bonds (distance) C4'-P energy: -96.791 bonds (distance) P-C4' energy: -107.613 flat angles C4'-P-C4' energy: -111.434 flat angles P-C4'-P energy: -64.394 tors. eta vs tors. theta energy: -152.333 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: 5, replica: 4 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1698.585016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.585016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.585016 (E_RNA) where: Base-Base interactions energy: -1195.298 where: short stacking energy: -496.622 Base-Backbone interact. energy: -1.990 local terms energy: -501.297396 where: bonds (distance) C4'-P energy: -86.409 bonds (distance) P-C4' energy: -108.527 flat angles C4'-P-C4' energy: -103.758 flat angles P-C4'-P energy: -66.568 tors. eta vs tors. theta energy: -136.035 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: 5 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1562.788928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.788928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.788928 (E_RNA) where: Base-Base interactions energy: -1066.003 where: short stacking energy: -437.734 Base-Backbone interact. energy: -1.062 local terms energy: -495.724299 where: bonds (distance) C4'-P energy: -90.506 bonds (distance) P-C4' energy: -108.706 flat angles C4'-P-C4' energy: -100.888 flat angles P-C4'-P energy: -78.981 tors. eta vs tors. theta energy: -116.642 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: 7, replica: 9 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1415.865488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.865488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.865488 (E_RNA) where: Base-Base interactions energy: -981.489 where: short stacking energy: -425.449 Base-Backbone interact. energy: 0.274 local terms energy: -434.650309 where: bonds (distance) C4'-P energy: -93.704 bonds (distance) P-C4' energy: -89.356 flat angles C4'-P-C4' energy: -86.602 flat angles P-C4'-P energy: -58.511 tors. eta vs tors. theta energy: -106.476 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: 8, replica: 10 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1307.874904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.874904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.874904 (E_RNA) where: Base-Base interactions energy: -865.892 where: short stacking energy: -374.145 Base-Backbone interact. energy: -1.808 local terms energy: -440.174545 where: bonds (distance) C4'-P energy: -95.147 bonds (distance) P-C4' energy: -98.034 flat angles C4'-P-C4' energy: -92.538 flat angles P-C4'-P energy: -69.370 tors. eta vs tors. theta energy: -85.087 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: 244 Temperature: 1.300000 Total energy: -1278.220354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.220354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.220354 (E_RNA) where: Base-Base interactions energy: -836.340 where: short stacking energy: -363.690 Base-Backbone interact. energy: -1.385 local terms energy: -440.495664 where: bonds (distance) C4'-P energy: -87.644 bonds (distance) P-C4' energy: -103.330 flat angles C4'-P-C4' energy: -94.592 flat angles P-C4'-P energy: -75.943 tors. eta vs tors. theta energy: -78.986 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: 10, replica: 7 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -1089.219023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.219023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.219023 (E_RNA) where: Base-Base interactions energy: -704.546 where: short stacking energy: -292.167 Base-Backbone interact. energy: -1.551 local terms energy: -383.121636 where: bonds (distance) C4'-P energy: -76.899 bonds (distance) P-C4' energy: -108.902 flat angles C4'-P-C4' energy: -84.174 flat angles P-C4'-P energy: -58.389 tors. eta vs tors. theta energy: -54.757 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: 8 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1932.124726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.124726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.124726 (E_RNA) where: Base-Base interactions energy: -1343.399 where: short stacking energy: -554.646 Base-Backbone interact. energy: -0.566 local terms energy: -588.160108 where: bonds (distance) C4'-P energy: -99.041 bonds (distance) P-C4' energy: -118.916 flat angles C4'-P-C4' energy: -124.374 flat angles P-C4'-P energy: -82.176 tors. eta vs tors. theta energy: -163.653 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: 2 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1878.503399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.503399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.503399 (E_RNA) where: Base-Base interactions energy: -1325.780 where: short stacking energy: -543.759 Base-Backbone interact. energy: 0.428 local terms energy: -553.151673 where: bonds (distance) C4'-P energy: -103.450 bonds (distance) P-C4' energy: -105.764 flat angles C4'-P-C4' energy: -115.481 flat angles P-C4'-P energy: -78.266 tors. eta vs tors. theta energy: -150.190 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: 3, replica: 1 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1870.987775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.987775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.987775 (E_RNA) where: Base-Base interactions energy: -1315.823 where: short stacking energy: -548.956 Base-Backbone interact. energy: 3.172 local terms energy: -558.336686 where: bonds (distance) C4'-P energy: -103.372 bonds (distance) P-C4' energy: -112.855 flat angles C4'-P-C4' energy: -104.987 flat angles P-C4'-P energy: -84.419 tors. eta vs tors. theta energy: -152.704 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: 3 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1824.174852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.174852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.174852 (E_RNA) where: Base-Base interactions energy: -1277.113 where: short stacking energy: -525.587 Base-Backbone interact. energy: -0.271 local terms energy: -546.790630 where: bonds (distance) C4'-P energy: -96.259 bonds (distance) P-C4' energy: -104.790 flat angles C4'-P-C4' energy: -117.524 flat angles P-C4'-P energy: -75.502 tors. eta vs tors. theta energy: -152.716 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: 5, replica: 4 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1702.774735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.774735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.774735 (E_RNA) where: Base-Base interactions energy: -1184.041 where: short stacking energy: -491.583 Base-Backbone interact. energy: 1.442 local terms energy: -520.174910 where: bonds (distance) C4'-P energy: -88.887 bonds (distance) P-C4' energy: -106.073 flat angles C4'-P-C4' energy: -119.693 flat angles P-C4'-P energy: -71.956 tors. eta vs tors. theta energy: -133.566 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: 5 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1600.980515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.980515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.980515 (E_RNA) where: Base-Base interactions energy: -1110.953 where: short stacking energy: -457.454 Base-Backbone interact. energy: 4.876 local terms energy: -494.903417 where: bonds (distance) C4'-P energy: -99.354 bonds (distance) P-C4' energy: -103.964 flat angles C4'-P-C4' energy: -106.057 flat angles P-C4'-P energy: -68.782 tors. eta vs tors. theta energy: -116.746 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: 7, replica: 9 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1393.090127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.090127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.090127 (E_RNA) where: Base-Base interactions energy: -939.365 where: short stacking energy: -392.957 Base-Backbone interact. energy: -0.312 local terms energy: -453.412323 where: bonds (distance) C4'-P energy: -88.268 bonds (distance) P-C4' energy: -103.440 flat angles C4'-P-C4' energy: -106.289 flat angles P-C4'-P energy: -66.502 tors. eta vs tors. theta energy: -88.913 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: 245 Temperature: 1.250000 Total energy: -1313.765761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.765761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.765761 (E_RNA) where: Base-Base interactions energy: -888.075 where: short stacking energy: -394.189 Base-Backbone interact. energy: 2.415 local terms energy: -428.105553 where: bonds (distance) C4'-P energy: -89.803 bonds (distance) P-C4' energy: -94.255 flat angles C4'-P-C4' energy: -94.591 flat angles P-C4'-P energy: -55.733 tors. eta vs tors. theta energy: -93.724 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: 10 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1250.258768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.258768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.258768 (E_RNA) where: Base-Base interactions energy: -838.460 where: short stacking energy: -369.481 Base-Backbone interact. energy: 6.115 local terms energy: -417.913184 where: bonds (distance) C4'-P energy: -80.690 bonds (distance) P-C4' energy: -90.915 flat angles C4'-P-C4' energy: -93.648 flat angles P-C4'-P energy: -64.999 tors. eta vs tors. theta energy: -87.662 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: 7 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -1154.906498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.906498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.906498 (E_RNA) where: Base-Base interactions energy: -736.029 where: short stacking energy: -314.185 Base-Backbone interact. energy: 2.135 local terms energy: -421.012742 where: bonds (distance) C4'-P energy: -92.078 bonds (distance) P-C4' energy: -105.244 flat angles C4'-P-C4' energy: -85.717 flat angles P-C4'-P energy: -65.174 tors. eta vs tors. theta energy: -72.800 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: 8 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1926.033483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.033483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.033483 (E_RNA) where: Base-Base interactions energy: -1343.298 where: short stacking energy: -558.053 Base-Backbone interact. energy: -2.035 local terms energy: -580.700259 where: bonds (distance) C4'-P energy: -99.679 bonds (distance) P-C4' energy: -110.014 flat angles C4'-P-C4' energy: -119.901 flat angles P-C4'-P energy: -86.483 tors. eta vs tors. theta energy: -164.623 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: 2 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1896.850301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.850301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.850301 (E_RNA) where: Base-Base interactions energy: -1339.589 where: short stacking energy: -554.571 Base-Backbone interact. energy: 2.564 local terms energy: -559.824666 where: bonds (distance) C4'-P energy: -98.615 bonds (distance) P-C4' energy: -111.823 flat angles C4'-P-C4' energy: -117.532 flat angles P-C4'-P energy: -81.107 tors. eta vs tors. theta energy: -150.749 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: 3, replica: 1 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1876.955380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.955380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.955380 (E_RNA) where: Base-Base interactions energy: -1311.981 where: short stacking energy: -535.928 Base-Backbone interact. energy: -0.653 local terms energy: -564.320628 where: bonds (distance) C4'-P energy: -111.384 bonds (distance) P-C4' energy: -100.955 flat angles C4'-P-C4' energy: -113.914 flat angles P-C4'-P energy: -78.631 tors. eta vs tors. theta energy: -159.436 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: 4, replica: 3 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1805.201976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.201976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.201976 (E_RNA) where: Base-Base interactions energy: -1271.467 where: short stacking energy: -532.537 Base-Backbone interact. energy: 1.357 local terms energy: -535.092167 where: bonds (distance) C4'-P energy: -105.632 bonds (distance) P-C4' energy: -89.624 flat angles C4'-P-C4' energy: -117.554 flat angles P-C4'-P energy: -74.723 tors. eta vs tors. theta energy: -147.560 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: 5, replica: 4 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1671.545510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.545510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.545510 (E_RNA) where: Base-Base interactions energy: -1165.683 where: short stacking energy: -481.252 Base-Backbone interact. energy: -0.882 local terms energy: -504.980049 where: bonds (distance) C4'-P energy: -88.453 bonds (distance) P-C4' energy: -110.736 flat angles C4'-P-C4' energy: -105.085 flat angles P-C4'-P energy: -70.457 tors. eta vs tors. theta energy: -130.249 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: 6, replica: 5 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1575.528743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.528743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.528743 (E_RNA) where: Base-Base interactions energy: -1084.094 where: short stacking energy: -451.812 Base-Backbone interact. energy: 0.163 local terms energy: -491.597995 where: bonds (distance) C4'-P energy: -85.909 bonds (distance) P-C4' energy: -106.168 flat angles C4'-P-C4' energy: -111.169 flat angles P-C4'-P energy: -68.725 tors. eta vs tors. theta energy: -119.626 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: 9 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1385.991952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.991952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.991952 (E_RNA) where: Base-Base interactions energy: -928.663 where: short stacking energy: -371.335 Base-Backbone interact. energy: -1.660 local terms energy: -455.669228 where: bonds (distance) C4'-P energy: -91.343 bonds (distance) P-C4' energy: -102.375 flat angles C4'-P-C4' energy: -103.220 flat angles P-C4'-P energy: -67.545 tors. eta vs tors. theta energy: -91.186 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: 6 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1275.336924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.336924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.336924 (E_RNA) where: Base-Base interactions energy: -846.642 where: short stacking energy: -373.450 Base-Backbone interact. energy: -0.851 local terms energy: -427.844093 where: bonds (distance) C4'-P energy: -87.250 bonds (distance) P-C4' energy: -104.449 flat angles C4'-P-C4' energy: -93.794 flat angles P-C4'-P energy: -61.874 tors. eta vs tors. theta energy: -80.477 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: 10 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1270.556287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.556287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.556287 (E_RNA) where: Base-Base interactions energy: -857.697 where: short stacking energy: -385.808 Base-Backbone interact. energy: 3.494 local terms energy: -416.352686 where: bonds (distance) C4'-P energy: -92.424 bonds (distance) P-C4' energy: -90.764 flat angles C4'-P-C4' energy: -83.824 flat angles P-C4'-P energy: -63.733 tors. eta vs tors. theta energy: -85.608 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: 10, replica: 7 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -1146.338807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.338807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.338807 (E_RNA) where: Base-Base interactions energy: -753.793 where: short stacking energy: -330.061 Base-Backbone interact. energy: 3.061 local terms energy: -395.606289 where: bonds (distance) C4'-P energy: -87.511 bonds (distance) P-C4' energy: -95.661 flat angles C4'-P-C4' energy: -91.203 flat angles P-C4'-P energy: -50.507 tors. eta vs tors. theta energy: -70.724 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: 1, replica: 8 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1938.375822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.375822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.375822 (E_RNA) where: Base-Base interactions energy: -1351.312 where: short stacking energy: -549.339 Base-Backbone interact. energy: -0.680 local terms energy: -586.384088 where: bonds (distance) C4'-P energy: -100.389 bonds (distance) P-C4' energy: -120.072 flat angles C4'-P-C4' energy: -119.020 flat angles P-C4'-P energy: -84.847 tors. eta vs tors. theta energy: -162.057 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: 2, replica: 2 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1885.844399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.844399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.844399 (E_RNA) where: Base-Base interactions energy: -1321.504 where: short stacking energy: -543.021 Base-Backbone interact. energy: -2.260 local terms energy: -562.080608 where: bonds (distance) C4'-P energy: -104.456 bonds (distance) P-C4' energy: -109.285 flat angles C4'-P-C4' energy: -115.008 flat angles P-C4'-P energy: -77.276 tors. eta vs tors. theta energy: -156.055 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: 1 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1845.155742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.155742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.155742 (E_RNA) where: Base-Base interactions energy: -1290.782 where: short stacking energy: -526.720 Base-Backbone interact. energy: 0.104 local terms energy: -554.477840 where: bonds (distance) C4'-P energy: -90.125 bonds (distance) P-C4' energy: -121.658 flat angles C4'-P-C4' energy: -115.045 flat angles P-C4'-P energy: -74.532 tors. eta vs tors. theta energy: -153.118 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: 3 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1808.416065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.416065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.416065 (E_RNA) where: Base-Base interactions energy: -1246.068 where: short stacking energy: -523.385 Base-Backbone interact. energy: -2.347 local terms energy: -560.001268 where: bonds (distance) C4'-P energy: -87.317 bonds (distance) P-C4' energy: -115.719 flat angles C4'-P-C4' energy: -116.875 flat angles P-C4'-P energy: -87.530 tors. eta vs tors. theta energy: -152.559 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: 5, replica: 4 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1698.658114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.658114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.658114 (E_RNA) where: Base-Base interactions energy: -1165.419 where: short stacking energy: -490.688 Base-Backbone interact. energy: -1.962 local terms energy: -531.277320 where: bonds (distance) C4'-P energy: -101.133 bonds (distance) P-C4' energy: -114.832 flat angles C4'-P-C4' energy: -113.418 flat angles P-C4'-P energy: -68.815 tors. eta vs tors. theta energy: -133.079 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: 6, replica: 5 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1607.919441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.919441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.919441 (E_RNA) where: Base-Base interactions energy: -1120.560 where: short stacking energy: -448.281 Base-Backbone interact. energy: 1.405 local terms energy: -488.764473 where: bonds (distance) C4'-P energy: -89.506 bonds (distance) P-C4' energy: -106.978 flat angles C4'-P-C4' energy: -98.571 flat angles P-C4'-P energy: -76.467 tors. eta vs tors. theta energy: -117.243 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: 7, replica: 9 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1374.406622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.406622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.406622 (E_RNA) where: Base-Base interactions energy: -933.776 where: short stacking energy: -391.986 Base-Backbone interact. energy: 4.840 local terms energy: -445.470585 where: bonds (distance) C4'-P energy: -94.965 bonds (distance) P-C4' energy: -104.605 flat angles C4'-P-C4' energy: -101.887 flat angles P-C4'-P energy: -56.238 tors. eta vs tors. theta energy: -87.776 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: 6 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1271.827283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.827283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.827283 (E_RNA) where: Base-Base interactions energy: -837.476 where: short stacking energy: -388.036 Base-Backbone interact. energy: -0.702 local terms energy: -433.649073 where: bonds (distance) C4'-P energy: -80.274 bonds (distance) P-C4' energy: -98.620 flat angles C4'-P-C4' energy: -95.184 flat angles P-C4'-P energy: -74.346 tors. eta vs tors. theta energy: -85.226 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: 9, replica: 10 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1235.319848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.319848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.319848 (E_RNA) where: Base-Base interactions energy: -832.704 where: short stacking energy: -371.775 Base-Backbone interact. energy: 3.452 local terms energy: -406.068188 where: bonds (distance) C4'-P energy: -81.136 bonds (distance) P-C4' energy: -97.091 flat angles C4'-P-C4' energy: -91.110 flat angles P-C4'-P energy: -58.110 tors. eta vs tors. theta energy: -78.621 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: 10, replica: 7 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -1159.385601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.385601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.385601 (E_RNA) where: Base-Base interactions energy: -760.531 where: short stacking energy: -334.230 Base-Backbone interact. energy: 0.015 local terms energy: -398.869320 where: bonds (distance) C4'-P energy: -77.144 bonds (distance) P-C4' energy: -100.785 flat angles C4'-P-C4' energy: -99.422 flat angles P-C4'-P energy: -52.585 tors. eta vs tors. theta energy: -68.933 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: 1, replica: 8 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1920.073707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.073707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.073707 (E_RNA) where: Base-Base interactions energy: -1349.564 where: short stacking energy: -551.097 Base-Backbone interact. energy: -0.205 local terms energy: -570.304405 where: bonds (distance) C4'-P energy: -98.676 bonds (distance) P-C4' energy: -112.369 flat angles C4'-P-C4' energy: -114.247 flat angles P-C4'-P energy: -79.117 tors. eta vs tors. theta energy: -165.894 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: 2, replica: 2 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1885.661466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.661466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.661466 (E_RNA) where: Base-Base interactions energy: -1337.548 where: short stacking energy: -545.611 Base-Backbone interact. energy: 3.405 local terms energy: -551.518393 where: bonds (distance) C4'-P energy: -97.756 bonds (distance) P-C4' energy: -105.882 flat angles C4'-P-C4' energy: -122.031 flat angles P-C4'-P energy: -69.502 tors. eta vs tors. theta energy: -156.347 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: 3, replica: 3 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1833.541768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.541768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.541768 (E_RNA) where: Base-Base interactions energy: -1282.041 where: short stacking energy: -526.551 Base-Backbone interact. energy: 2.809 local terms energy: -554.309402 where: bonds (distance) C4'-P energy: -100.787 bonds (distance) P-C4' energy: -110.250 flat angles C4'-P-C4' energy: -120.841 flat angles P-C4'-P energy: -74.588 tors. eta vs tors. theta energy: -147.844 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: 4, replica: 1 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1779.464634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.464634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.464634 (E_RNA) where: Base-Base interactions energy: -1259.887 where: short stacking energy: -508.682 Base-Backbone interact. energy: -1.210 local terms energy: -518.368028 where: bonds (distance) C4'-P energy: -96.397 bonds (distance) P-C4' energy: -110.015 flat angles C4'-P-C4' energy: -100.395 flat angles P-C4'-P energy: -70.828 tors. eta vs tors. theta energy: -140.733 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: 5, replica: 4 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1674.117448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.117448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.117448 (E_RNA) where: Base-Base interactions energy: -1153.917 where: short stacking energy: -477.224 Base-Backbone interact. energy: 0.117 local terms energy: -520.317627 where: bonds (distance) C4'-P energy: -101.261 bonds (distance) P-C4' energy: -111.496 flat angles C4'-P-C4' energy: -112.743 flat angles P-C4'-P energy: -69.996 tors. eta vs tors. theta energy: -124.821 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: 5 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1617.810459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.810459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.810459 (E_RNA) where: Base-Base interactions energy: -1140.550 where: short stacking energy: -456.157 Base-Backbone interact. energy: -1.735 local terms energy: -475.526014 where: bonds (distance) C4'-P energy: -86.202 bonds (distance) P-C4' energy: -103.418 flat angles C4'-P-C4' energy: -101.483 flat angles P-C4'-P energy: -71.119 tors. eta vs tors. theta energy: -113.304 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: 9 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1297.445438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.445438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.445438 (E_RNA) where: Base-Base interactions energy: -849.393 where: short stacking energy: -359.701 Base-Backbone interact. energy: 0.819 local terms energy: -448.870898 where: bonds (distance) C4'-P energy: -91.609 bonds (distance) P-C4' energy: -108.132 flat angles C4'-P-C4' energy: -96.024 flat angles P-C4'-P energy: -77.794 tors. eta vs tors. theta energy: -75.311 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: 8, replica: 6 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1272.674694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.674694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.674694 (E_RNA) where: Base-Base interactions energy: -854.178 where: short stacking energy: -364.666 Base-Backbone interact. energy: 0.976 local terms energy: -419.472715 where: bonds (distance) C4'-P energy: -71.354 bonds (distance) P-C4' energy: -101.798 flat angles C4'-P-C4' energy: -97.344 flat angles P-C4'-P energy: -65.879 tors. eta vs tors. theta energy: -83.099 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: 10 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1242.690322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.690322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.690322 (E_RNA) where: Base-Base interactions energy: -834.616 where: short stacking energy: -350.005 Base-Backbone interact. energy: 1.253 local terms energy: -409.326834 where: bonds (distance) C4'-P energy: -89.141 bonds (distance) P-C4' energy: -104.561 flat angles C4'-P-C4' energy: -85.467 flat angles P-C4'-P energy: -58.385 tors. eta vs tors. theta energy: -71.774 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: 10, replica: 7 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -1083.056802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.056802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.056802 (E_RNA) where: Base-Base interactions energy: -707.200 where: short stacking energy: -317.480 Base-Backbone interact. energy: 0.798 local terms energy: -376.655056 where: bonds (distance) C4'-P energy: -93.726 bonds (distance) P-C4' energy: -80.504 flat angles C4'-P-C4' energy: -88.342 flat angles P-C4'-P energy: -53.000 tors. eta vs tors. theta energy: -61.082 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: 1, replica: 8 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1907.148016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.148016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.148016 (E_RNA) where: Base-Base interactions energy: -1332.114 where: short stacking energy: -553.489 Base-Backbone interact. energy: -1.995 local terms energy: -573.038441 where: bonds (distance) C4'-P energy: -111.924 bonds (distance) P-C4' energy: -115.516 flat angles C4'-P-C4' energy: -113.572 flat angles P-C4'-P energy: -71.567 tors. eta vs tors. theta energy: -160.460 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: 2, replica: 2 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1919.977021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.977021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.977021 (E_RNA) where: Base-Base interactions energy: -1345.936 where: short stacking energy: -563.226 Base-Backbone interact. energy: 2.567 local terms energy: -576.608161 where: bonds (distance) C4'-P energy: -98.197 bonds (distance) P-C4' energy: -120.855 flat angles C4'-P-C4' energy: -121.903 flat angles P-C4'-P energy: -75.765 tors. eta vs tors. theta energy: -159.889 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: 3, replica: 3 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1847.735617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.735617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.735617 (E_RNA) where: Base-Base interactions energy: -1299.451 where: short stacking energy: -522.240 Base-Backbone interact. energy: -0.027 local terms energy: -548.257816 where: bonds (distance) C4'-P energy: -90.731 bonds (distance) P-C4' energy: -109.908 flat angles C4'-P-C4' energy: -118.871 flat angles P-C4'-P energy: -72.041 tors. eta vs tors. theta energy: -156.706 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: 249 Temperature: 1.050000 Total energy: -1820.398122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.398122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.398122 (E_RNA) where: Base-Base interactions energy: -1286.300 where: short stacking energy: -533.063 Base-Backbone interact. energy: -1.401 local terms energy: -532.696983 where: bonds (distance) C4'-P energy: -80.539 bonds (distance) P-C4' energy: -105.688 flat angles C4'-P-C4' energy: -109.972 flat angles P-C4'-P energy: -83.457 tors. eta vs tors. theta energy: -153.041 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: 5, replica: 4 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1668.279383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.279383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.279383 (E_RNA) where: Base-Base interactions energy: -1163.288 where: short stacking energy: -491.012 Base-Backbone interact. energy: 1.445 local terms energy: -506.436736 where: bonds (distance) C4'-P energy: -87.595 bonds (distance) P-C4' energy: -108.187 flat angles C4'-P-C4' energy: -96.652 flat angles P-C4'-P energy: -81.389 tors. eta vs tors. theta energy: -132.614 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: 6, replica: 5 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1626.083784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.083784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.083784 (E_RNA) where: Base-Base interactions energy: -1132.934 where: short stacking energy: -472.918 Base-Backbone interact. energy: 0.835 local terms energy: -493.984454 where: bonds (distance) C4'-P energy: -99.726 bonds (distance) P-C4' energy: -95.816 flat angles C4'-P-C4' energy: -106.122 flat angles P-C4'-P energy: -72.402 tors. eta vs tors. theta energy: -119.918 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: 7, replica: 9 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1305.674769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.674769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.674769 (E_RNA) where: Base-Base interactions energy: -873.855 where: short stacking energy: -387.740 Base-Backbone interact. energy: 1.845 local terms energy: -433.664660 where: bonds (distance) C4'-P energy: -81.799 bonds (distance) P-C4' energy: -109.798 flat angles C4'-P-C4' energy: -95.899 flat angles P-C4'-P energy: -52.551 tors. eta vs tors. theta energy: -93.619 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: 8, replica: 6 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1314.937115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.937115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.937115 (E_RNA) where: Base-Base interactions energy: -881.601 where: short stacking energy: -374.667 Base-Backbone interact. energy: 3.245 local terms energy: -436.581534 where: bonds (distance) C4'-P energy: -88.929 bonds (distance) P-C4' energy: -91.211 flat angles C4'-P-C4' energy: -100.346 flat angles P-C4'-P energy: -71.081 tors. eta vs tors. theta energy: -85.014 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: 9, replica: 10 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1240.403381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.403381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.403381 (E_RNA) where: Base-Base interactions energy: -844.140 where: short stacking energy: -343.334 Base-Backbone interact. energy: 4.614 local terms energy: -400.877116 where: bonds (distance) C4'-P energy: -84.669 bonds (distance) P-C4' energy: -107.324 flat angles C4'-P-C4' energy: -88.429 flat angles P-C4'-P energy: -47.792 tors. eta vs tors. theta energy: -72.663 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: 10, replica: 7 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -1097.161943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.161943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.161943 (E_RNA) where: Base-Base interactions energy: -717.244 where: short stacking energy: -314.022 Base-Backbone interact. energy: -1.989 local terms energy: -377.929259 where: bonds (distance) C4'-P energy: -80.916 bonds (distance) P-C4' energy: -104.427 flat angles C4'-P-C4' energy: -78.805 flat angles P-C4'-P energy: -55.470 tors. eta vs tors. theta energy: -58.313 Dist. restrs. and SS energy: 0.000 (S_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: 250 Temperature: 0.900000 Total energy: -1929.534259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.534259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.534259 (E_RNA) where: Base-Base interactions energy: -1357.110 where: short stacking energy: -541.797 Base-Backbone interact. energy: 1.178 local terms energy: -573.602238 where: bonds (distance) C4'-P energy: -103.842 bonds (distance) P-C4' energy: -111.944 flat angles C4'-P-C4' energy: -115.027 flat angles P-C4'-P energy: -82.994 tors. eta vs tors. theta energy: -159.795 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: 2, replica: 8 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1919.751081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.751081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.751081 (E_RNA) where: Base-Base interactions energy: -1339.063 where: short stacking energy: -556.079 Base-Backbone interact. energy: -0.320 local terms energy: -580.368513 where: bonds (distance) C4'-P energy: -104.126 bonds (distance) P-C4' energy: -119.782 flat angles C4'-P-C4' energy: -121.995 flat angles P-C4'-P energy: -75.684 tors. eta vs tors. theta energy: -158.782 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: 3, replica: 3 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1856.923778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.923778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.923778 (E_RNA) where: Base-Base interactions energy: -1291.367 where: short stacking energy: -526.593 Base-Backbone interact. energy: 0.050 local terms energy: -565.606738 where: bonds (distance) C4'-P energy: -94.390 bonds (distance) P-C4' energy: -117.378 flat angles C4'-P-C4' energy: -119.278 flat angles P-C4'-P energy: -78.232 tors. eta vs tors. theta energy: -156.329 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: 4, replica: 1 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1773.106410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.106410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.106410 (E_RNA) where: Base-Base interactions energy: -1251.602 where: short stacking energy: -509.238 Base-Backbone interact. energy: -0.892 local terms energy: -520.612247 where: bonds (distance) C4'-P energy: -90.462 bonds (distance) P-C4' energy: -105.880 flat angles C4'-P-C4' energy: -114.027 flat angles P-C4'-P energy: -71.533 tors. eta vs tors. theta energy: -138.709 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: 4 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1693.930623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.930623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.930623 (E_RNA) where: Base-Base interactions energy: -1177.059 where: short stacking energy: -494.894 Base-Backbone interact. energy: -1.642 local terms energy: -515.229080 where: bonds (distance) C4'-P energy: -95.892 bonds (distance) P-C4' energy: -106.066 flat angles C4'-P-C4' energy: -108.981 flat angles P-C4'-P energy: -70.815 tors. eta vs tors. theta energy: -133.476 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: 6, replica: 5 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1602.085705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.085705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.085705 (E_RNA) where: Base-Base interactions energy: -1123.197 where: short stacking energy: -451.632 Base-Backbone interact. energy: 8.104 local terms energy: -486.993261 where: bonds (distance) C4'-P energy: -92.174 bonds (distance) P-C4' energy: -100.933 flat angles C4'-P-C4' energy: -104.551 flat angles P-C4'-P energy: -70.003 tors. eta vs tors. theta energy: -119.333 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: 7, replica: 6 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1369.369520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.369520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.369520 (E_RNA) where: Base-Base interactions energy: -922.178 where: short stacking energy: -401.800 Base-Backbone interact. energy: 1.422 local terms energy: -448.614095 where: bonds (distance) C4'-P energy: -69.691 bonds (distance) P-C4' energy: -107.201 flat angles C4'-P-C4' energy: -99.037 flat angles P-C4'-P energy: -69.600 tors. eta vs tors. theta energy: -103.086 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: 8, replica: 9 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1316.496766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.496766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.496766 (E_RNA) where: Base-Base interactions energy: -905.157 where: short stacking energy: -390.048 Base-Backbone interact. energy: 2.380 local terms energy: -413.720134 where: bonds (distance) C4'-P energy: -79.580 bonds (distance) P-C4' energy: -104.732 flat angles C4'-P-C4' energy: -101.364 flat angles P-C4'-P energy: -39.624 tors. eta vs tors. theta energy: -88.420 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: 9, replica: 10 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1249.539780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.539780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.539780 (E_RNA) where: Base-Base interactions energy: -824.426 where: short stacking energy: -351.351 Base-Backbone interact. energy: 0.638 local terms energy: -425.751910 where: bonds (distance) C4'-P energy: -87.080 bonds (distance) P-C4' energy: -96.917 flat angles C4'-P-C4' energy: -88.860 flat angles P-C4'-P energy: -70.081 tors. eta vs tors. theta energy: -82.814 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: 7 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -1107.106101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.106101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.106101 (E_RNA) where: Base-Base interactions energy: -702.629 where: short stacking energy: -311.815 Base-Backbone interact. energy: -2.727 local terms energy: -401.749604 where: bonds (distance) C4'-P energy: -94.910 bonds (distance) P-C4' energy: -99.679 flat angles C4'-P-C4' energy: -92.203 flat angles P-C4'-P energy: -59.163 tors. eta vs tors. theta energy: -55.794 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: 1, replica: 2 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1935.608603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.608603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.608603 (E_RNA) where: Base-Base interactions energy: -1358.703 where: short stacking energy: -564.651 Base-Backbone interact. energy: 0.515 local terms energy: -577.420597 where: bonds (distance) C4'-P energy: -102.970 bonds (distance) P-C4' energy: -107.161 flat angles C4'-P-C4' energy: -113.431 flat angles P-C4'-P energy: -89.676 tors. eta vs tors. theta energy: -164.182 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: 8 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1908.623461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.623461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.623461 (E_RNA) where: Base-Base interactions energy: -1321.618 where: short stacking energy: -545.792 Base-Backbone interact. energy: -4.176 local terms energy: -582.830080 where: bonds (distance) C4'-P energy: -95.462 bonds (distance) P-C4' energy: -119.564 flat angles C4'-P-C4' energy: -122.883 flat angles P-C4'-P energy: -86.188 tors. eta vs tors. theta energy: -158.732 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: 3, replica: 3 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1846.370687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.370687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.370687 (E_RNA) where: Base-Base interactions energy: -1288.223 where: short stacking energy: -516.222 Base-Backbone interact. energy: -0.664 local terms energy: -557.483872 where: bonds (distance) C4'-P energy: -103.695 bonds (distance) P-C4' energy: -105.149 flat angles C4'-P-C4' energy: -115.710 flat angles P-C4'-P energy: -79.889 tors. eta vs tors. theta energy: -153.040 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: 4, replica: 1 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1786.963851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.963851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.963851 (E_RNA) where: Base-Base interactions energy: -1241.544 where: short stacking energy: -504.477 Base-Backbone interact. energy: 1.832 local terms energy: -547.251597 where: bonds (distance) C4'-P energy: -98.959 bonds (distance) P-C4' energy: -115.493 flat angles C4'-P-C4' energy: -114.516 flat angles P-C4'-P energy: -81.571 tors. eta vs tors. theta energy: -136.713 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: 4 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1671.242487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.242487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.242487 (E_RNA) where: Base-Base interactions energy: -1168.048 where: short stacking energy: -477.498 Base-Backbone interact. energy: -2.631 local terms energy: -500.563251 where: bonds (distance) C4'-P energy: -87.419 bonds (distance) P-C4' energy: -103.884 flat angles C4'-P-C4' energy: -115.830 flat angles P-C4'-P energy: -68.100 tors. eta vs tors. theta energy: -125.329 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: 5 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1593.796912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.796912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.796912 (E_RNA) where: Base-Base interactions energy: -1124.519 where: short stacking energy: -445.233 Base-Backbone interact. energy: 0.450 local terms energy: -469.727949 where: bonds (distance) C4'-P energy: -73.969 bonds (distance) P-C4' energy: -107.511 flat angles C4'-P-C4' energy: -107.599 flat angles P-C4'-P energy: -73.998 tors. eta vs tors. theta energy: -106.651 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: 7, replica: 6 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1405.599561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.599561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.599561 (E_RNA) where: Base-Base interactions energy: -955.707 where: short stacking energy: -388.299 Base-Backbone interact. energy: 0.632 local terms energy: -450.524327 where: bonds (distance) C4'-P energy: -90.393 bonds (distance) P-C4' energy: -105.522 flat angles C4'-P-C4' energy: -104.082 flat angles P-C4'-P energy: -51.264 tors. eta vs tors. theta energy: -99.263 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: 8, replica: 9 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1324.809579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.809579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.809579 (E_RNA) where: Base-Base interactions energy: -893.064 where: short stacking energy: -372.010 Base-Backbone interact. energy: 7.085 local terms energy: -438.829688 where: bonds (distance) C4'-P energy: -86.156 bonds (distance) P-C4' energy: -113.926 flat angles C4'-P-C4' energy: -97.392 flat angles P-C4'-P energy: -61.379 tors. eta vs tors. theta energy: -79.977 Dist. restrs. and SS energy: 0.000 (S_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: 251 Temperature: 1.300000 Total energy: -1269.473356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.473356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.473356 (E_RNA) where: Base-Base interactions energy: -845.964 where: short stacking energy: -370.951 Base-Backbone interact. energy: 0.704 local terms energy: -424.213074 where: bonds (distance) C4'-P energy: -86.533 bonds (distance) P-C4' energy: -91.506 flat angles C4'-P-C4' energy: -89.653 flat angles P-C4'-P energy: -71.858 tors. eta vs tors. theta energy: -84.664 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: 10, replica: 7 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -1109.575266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.575266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.575266 (E_RNA) where: Base-Base interactions energy: -711.304 where: short stacking energy: -306.558 Base-Backbone interact. energy: 1.074 local terms energy: -399.345010 where: bonds (distance) C4'-P energy: -94.654 bonds (distance) P-C4' energy: -102.467 flat angles C4'-P-C4' energy: -84.633 flat angles P-C4'-P energy: -51.553 tors. eta vs tors. theta energy: -66.039 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: 2 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1917.616964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.616964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.616964 (E_RNA) where: Base-Base interactions energy: -1350.318 where: short stacking energy: -566.271 Base-Backbone interact. energy: -0.649 local terms energy: -566.650616 where: bonds (distance) C4'-P energy: -100.683 bonds (distance) P-C4' energy: -106.806 flat angles C4'-P-C4' energy: -119.589 flat angles P-C4'-P energy: -79.977 tors. eta vs tors. theta energy: -159.596 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: 2, replica: 8 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1876.347033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.347033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.347033 (E_RNA) where: Base-Base interactions energy: -1334.730 where: short stacking energy: -537.527 Base-Backbone interact. energy: 0.543 local terms energy: -542.160511 where: bonds (distance) C4'-P energy: -91.496 bonds (distance) P-C4' energy: -107.435 flat angles C4'-P-C4' energy: -117.982 flat angles P-C4'-P energy: -80.617 tors. eta vs tors. theta energy: -144.630 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: 1 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1833.875682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.875682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.875682 (E_RNA) where: Base-Base interactions energy: -1286.680 where: short stacking energy: -526.910 Base-Backbone interact. energy: -0.809 local terms energy: -546.386781 where: bonds (distance) C4'-P energy: -103.419 bonds (distance) P-C4' energy: -109.085 flat angles C4'-P-C4' energy: -109.040 flat angles P-C4'-P energy: -78.916 tors. eta vs tors. theta energy: -145.927 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: 4, replica: 3 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1836.458736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.458736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.458736 (E_RNA) where: Base-Base interactions energy: -1288.621 where: short stacking energy: -543.561 Base-Backbone interact. energy: -3.456 local terms energy: -544.381893 where: bonds (distance) C4'-P energy: -95.181 bonds (distance) P-C4' energy: -103.523 flat angles C4'-P-C4' energy: -108.875 flat angles P-C4'-P energy: -80.916 tors. eta vs tors. theta energy: -155.886 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: 5, replica: 4 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1687.464369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.464369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.464369 (E_RNA) where: Base-Base interactions energy: -1167.559 where: short stacking energy: -498.246 Base-Backbone interact. energy: -2.044 local terms energy: -517.861336 where: bonds (distance) C4'-P energy: -98.830 bonds (distance) P-C4' energy: -103.474 flat angles C4'-P-C4' energy: -111.445 flat angles P-C4'-P energy: -69.394 tors. eta vs tors. theta energy: -134.718 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: 5 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1629.311196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.311196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.311196 (E_RNA) where: Base-Base interactions energy: -1130.267 where: short stacking energy: -470.895 Base-Backbone interact. energy: -0.297 local terms energy: -498.747855 where: bonds (distance) C4'-P energy: -84.890 bonds (distance) P-C4' energy: -110.112 flat angles C4'-P-C4' energy: -109.086 flat angles P-C4'-P energy: -65.785 tors. eta vs tors. theta energy: -128.874 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: 6 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1422.453582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.453582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.453582 (E_RNA) where: Base-Base interactions energy: -943.156 where: short stacking energy: -414.569 Base-Backbone interact. energy: -1.024 local terms energy: -478.274338 where: bonds (distance) C4'-P energy: -93.705 bonds (distance) P-C4' energy: -103.813 flat angles C4'-P-C4' energy: -103.447 flat angles P-C4'-P energy: -66.669 tors. eta vs tors. theta energy: -110.640 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: 9 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1352.499336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.499336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.499336 (E_RNA) where: Base-Base interactions energy: -905.090 where: short stacking energy: -382.698 Base-Backbone interact. energy: -1.073 local terms energy: -446.335756 where: bonds (distance) C4'-P energy: -79.607 bonds (distance) P-C4' energy: -104.431 flat angles C4'-P-C4' energy: -102.087 flat angles P-C4'-P energy: -66.032 tors. eta vs tors. theta energy: -94.178 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: 9, replica: 10 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1220.066822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.066822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.066822 (E_RNA) where: Base-Base interactions energy: -799.884 where: short stacking energy: -353.308 Base-Backbone interact. energy: -1.909 local terms energy: -418.274579 where: bonds (distance) C4'-P energy: -79.221 bonds (distance) P-C4' energy: -96.567 flat angles C4'-P-C4' energy: -89.217 flat angles P-C4'-P energy: -77.817 tors. eta vs tors. theta energy: -75.452 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: 7 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -1113.507273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.507273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.507273 (E_RNA) where: Base-Base interactions energy: -717.829 where: short stacking energy: -340.380 Base-Backbone interact. energy: 0.364 local terms energy: -396.041855 where: bonds (distance) C4'-P energy: -71.113 bonds (distance) P-C4' energy: -87.247 flat angles C4'-P-C4' energy: -97.865 flat angles P-C4'-P energy: -68.076 tors. eta vs tors. theta energy: -71.741 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: 1, replica: 2 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1923.319951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.319951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.319951 (E_RNA) where: Base-Base interactions energy: -1349.062 where: short stacking energy: -564.196 Base-Backbone interact. energy: -0.050 local terms energy: -574.207982 where: bonds (distance) C4'-P energy: -102.686 bonds (distance) P-C4' energy: -111.766 flat angles C4'-P-C4' energy: -125.996 flat angles P-C4'-P energy: -73.479 tors. eta vs tors. theta energy: -160.280 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: 2, replica: 8 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1869.666094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.666094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.666094 (E_RNA) where: Base-Base interactions energy: -1302.083 where: short stacking energy: -546.228 Base-Backbone interact. energy: -0.662 local terms energy: -566.920818 where: bonds (distance) C4'-P energy: -109.166 bonds (distance) P-C4' energy: -108.344 flat angles C4'-P-C4' energy: -119.146 flat angles P-C4'-P energy: -80.975 tors. eta vs tors. theta energy: -149.289 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: 3, replica: 1 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1809.200789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.200789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.200789 (E_RNA) where: Base-Base interactions energy: -1285.986 where: short stacking energy: -542.747 Base-Backbone interact. energy: -2.444 local terms energy: -520.771128 where: bonds (distance) C4'-P energy: -96.249 bonds (distance) P-C4' energy: -103.121 flat angles C4'-P-C4' energy: -105.952 flat angles P-C4'-P energy: -69.436 tors. eta vs tors. theta energy: -146.014 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: 3 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1840.782288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.782288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.782288 (E_RNA) where: Base-Base interactions energy: -1286.525 where: short stacking energy: -524.881 Base-Backbone interact. energy: -0.380 local terms energy: -553.876662 where: bonds (distance) C4'-P energy: -90.508 bonds (distance) P-C4' energy: -106.614 flat angles C4'-P-C4' energy: -123.328 flat angles P-C4'-P energy: -79.181 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: 5, replica: 4 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1691.560499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.560499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.560499 (E_RNA) where: Base-Base interactions energy: -1177.969 where: short stacking energy: -489.529 Base-Backbone interact. energy: 5.932 local terms energy: -519.523842 where: bonds (distance) C4'-P energy: -90.394 bonds (distance) P-C4' energy: -107.874 flat angles C4'-P-C4' energy: -108.442 flat angles P-C4'-P energy: -75.014 tors. eta vs tors. theta energy: -137.800 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: 5 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1607.464945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.464945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.464945 (E_RNA) where: Base-Base interactions energy: -1123.569 where: short stacking energy: -473.363 Base-Backbone interact. energy: -4.188 local terms energy: -479.707629 where: bonds (distance) C4'-P energy: -89.434 bonds (distance) P-C4' energy: -101.388 flat angles C4'-P-C4' energy: -98.988 flat angles P-C4'-P energy: -62.497 tors. eta vs tors. theta energy: -127.401 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: 6 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1425.420640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.420640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.420640 (E_RNA) where: Base-Base interactions energy: -977.358 where: short stacking energy: -411.366 Base-Backbone interact. energy: 4.883 local terms energy: -452.944958 where: bonds (distance) C4'-P energy: -84.109 bonds (distance) P-C4' energy: -96.465 flat angles C4'-P-C4' energy: -103.126 flat angles P-C4'-P energy: -68.623 tors. eta vs tors. theta energy: -100.622 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: 8, replica: 9 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1376.294172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.294172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.294172 (E_RNA) where: Base-Base interactions energy: -926.597 where: short stacking energy: -385.050 Base-Backbone interact. energy: 0.497 local terms energy: -450.194258 where: bonds (distance) C4'-P energy: -85.378 bonds (distance) P-C4' energy: -101.890 flat angles C4'-P-C4' energy: -97.089 flat angles P-C4'-P energy: -68.323 tors. eta vs tors. theta energy: -97.514 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: 10 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1241.704278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.704278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.704278 (E_RNA) where: Base-Base interactions energy: -830.488 where: short stacking energy: -360.399 Base-Backbone interact. energy: 1.788 local terms energy: -413.004119 where: bonds (distance) C4'-P energy: -93.361 bonds (distance) P-C4' energy: -104.746 flat angles C4'-P-C4' energy: -88.083 flat angles P-C4'-P energy: -45.691 tors. eta vs tors. theta energy: -81.124 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: 10, replica: 7 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -1125.787151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.787151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.787151 (E_RNA) where: Base-Base interactions energy: -711.548 where: short stacking energy: -322.582 Base-Backbone interact. energy: -1.896 local terms energy: -412.342801 where: bonds (distance) C4'-P energy: -85.569 bonds (distance) P-C4' energy: -101.726 flat angles C4'-P-C4' energy: -94.443 flat angles P-C4'-P energy: -57.724 tors. eta vs tors. theta energy: -72.881 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: 1, replica: 2 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1944.328080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.328080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.328080 (E_RNA) where: Base-Base interactions energy: -1369.522 where: short stacking energy: -574.331 Base-Backbone interact. energy: -0.691 local terms energy: -574.115040 where: bonds (distance) C4'-P energy: -96.060 bonds (distance) P-C4' energy: -112.399 flat angles C4'-P-C4' energy: -111.584 flat angles P-C4'-P energy: -90.723 tors. eta vs tors. theta energy: -163.348 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: 2, replica: 8 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1876.907437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.907437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.907437 (E_RNA) where: Base-Base interactions energy: -1319.745 where: short stacking energy: -552.087 Base-Backbone interact. energy: 1.535 local terms energy: -558.698063 where: bonds (distance) C4'-P energy: -94.197 bonds (distance) P-C4' energy: -113.907 flat angles C4'-P-C4' energy: -121.196 flat angles P-C4'-P energy: -72.501 tors. eta vs tors. theta energy: -156.897 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: 3 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1860.221985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.221985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.221985 (E_RNA) where: Base-Base interactions energy: -1310.667 where: short stacking energy: -530.398 Base-Backbone interact. energy: 3.531 local terms energy: -553.085586 where: bonds (distance) C4'-P energy: -97.519 bonds (distance) P-C4' energy: -119.543 flat angles C4'-P-C4' energy: -113.373 flat angles P-C4'-P energy: -71.058 tors. eta vs tors. theta energy: -151.592 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: 1 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1770.881759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.881759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.881759 (E_RNA) where: Base-Base interactions energy: -1240.174 where: short stacking energy: -504.492 Base-Backbone interact. energy: 0.608 local terms energy: -531.316282 where: bonds (distance) C4'-P energy: -96.905 bonds (distance) P-C4' energy: -111.395 flat angles C4'-P-C4' energy: -115.478 flat angles P-C4'-P energy: -79.192 tors. eta vs tors. theta energy: -128.347 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: 5, replica: 4 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1708.626256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.626256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.626256 (E_RNA) where: Base-Base interactions energy: -1185.667 where: short stacking energy: -498.627 Base-Backbone interact. energy: -0.577 local terms energy: -522.382574 where: bonds (distance) C4'-P energy: -103.894 bonds (distance) P-C4' energy: -116.842 flat angles C4'-P-C4' energy: -103.438 flat angles P-C4'-P energy: -60.682 tors. eta vs tors. theta energy: -137.526 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: 5 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1608.370274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.370274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.370274 (E_RNA) where: Base-Base interactions energy: -1114.400 where: short stacking energy: -439.542 Base-Backbone interact. energy: 5.000 local terms energy: -498.970730 where: bonds (distance) C4'-P energy: -90.707 bonds (distance) P-C4' energy: -103.647 flat angles C4'-P-C4' energy: -116.157 flat angles P-C4'-P energy: -70.694 tors. eta vs tors. theta energy: -117.765 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: 7, replica: 6 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1423.104863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.104863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.104863 (E_RNA) where: Base-Base interactions energy: -967.763 where: short stacking energy: -413.218 Base-Backbone interact. energy: -3.045 local terms energy: -452.297421 where: bonds (distance) C4'-P energy: -76.693 bonds (distance) P-C4' energy: -102.285 flat angles C4'-P-C4' energy: -107.544 flat angles P-C4'-P energy: -68.743 tors. eta vs tors. theta energy: -97.032 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: 9 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1337.941256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.941256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.941256 (E_RNA) where: Base-Base interactions energy: -893.164 where: short stacking energy: -378.685 Base-Backbone interact. energy: 0.250 local terms energy: -445.027293 where: bonds (distance) C4'-P energy: -92.111 bonds (distance) P-C4' energy: -95.073 flat angles C4'-P-C4' energy: -92.665 flat angles P-C4'-P energy: -64.211 tors. eta vs tors. theta energy: -100.968 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: 9, replica: 10 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1248.705797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.705797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.705797 (E_RNA) where: Base-Base interactions energy: -826.156 where: short stacking energy: -341.194 Base-Backbone interact. energy: -2.391 local terms energy: -420.158475 where: bonds (distance) C4'-P energy: -90.139 bonds (distance) P-C4' energy: -97.404 flat angles C4'-P-C4' energy: -94.012 flat angles P-C4'-P energy: -66.844 tors. eta vs tors. theta energy: -71.760 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: 7 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -1104.471284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.471284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.471284 (E_RNA) where: Base-Base interactions energy: -717.121 where: short stacking energy: -325.464 Base-Backbone interact. energy: -1.447 local terms energy: -385.902628 where: bonds (distance) C4'-P energy: -91.364 bonds (distance) P-C4' energy: -98.687 flat angles C4'-P-C4' energy: -90.318 flat angles P-C4'-P energy: -55.504 tors. eta vs tors. theta energy: -50.029 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: 1, replica: 2 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1937.238262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.238262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.238262 (E_RNA) where: Base-Base interactions energy: -1363.574 where: short stacking energy: -573.131 Base-Backbone interact. energy: -3.031 local terms energy: -570.632897 where: bonds (distance) C4'-P energy: -105.534 bonds (distance) P-C4' energy: -114.496 flat angles C4'-P-C4' energy: -112.169 flat angles P-C4'-P energy: -80.096 tors. eta vs tors. theta energy: -158.337 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: 2, replica: 8 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1891.265686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.265686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.265686 (E_RNA) where: Base-Base interactions energy: -1330.674 where: short stacking energy: -551.142 Base-Backbone interact. energy: 0.947 local terms energy: -561.538846 where: bonds (distance) C4'-P energy: -95.547 bonds (distance) P-C4' energy: -117.837 flat angles C4'-P-C4' energy: -114.942 flat angles P-C4'-P energy: -71.152 tors. eta vs tors. theta energy: -162.061 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: 3, replica: 3 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1869.553576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.553576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.553576 (E_RNA) where: Base-Base interactions energy: -1305.956 where: short stacking energy: -542.735 Base-Backbone interact. energy: -1.458 local terms energy: -562.139787 where: bonds (distance) C4'-P energy: -105.840 bonds (distance) P-C4' energy: -113.266 flat angles C4'-P-C4' energy: -107.643 flat angles P-C4'-P energy: -77.813 tors. eta vs tors. theta energy: -157.577 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: 255 Temperature: 1.050000 Total energy: -1751.069361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.069361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.069361 (E_RNA) where: Base-Base interactions energy: -1243.563 where: short stacking energy: -490.755 Base-Backbone interact. energy: 1.194 local terms energy: -508.700062 where: bonds (distance) C4'-P energy: -83.592 bonds (distance) P-C4' energy: -111.063 flat angles C4'-P-C4' energy: -114.638 flat angles P-C4'-P energy: -66.436 tors. eta vs tors. theta energy: -132.972 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: 4 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1695.762268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.762268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.762268 (E_RNA) where: Base-Base interactions energy: -1178.676 where: short stacking energy: -490.103 Base-Backbone interact. energy: -1.875 local terms energy: -515.211652 where: bonds (distance) C4'-P energy: -89.994 bonds (distance) P-C4' energy: -106.526 flat angles C4'-P-C4' energy: -110.509 flat angles P-C4'-P energy: -76.786 tors. eta vs tors. theta energy: -131.397 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: 6, replica: 5 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1630.029695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.029695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.029695 (E_RNA) where: Base-Base interactions energy: -1132.430 where: short stacking energy: -469.438 Base-Backbone interact. energy: 0.509 local terms energy: -498.109084 where: bonds (distance) C4'-P energy: -96.019 bonds (distance) P-C4' energy: -95.817 flat angles C4'-P-C4' energy: -105.613 flat angles P-C4'-P energy: -75.549 tors. eta vs tors. theta energy: -125.111 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: 6 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1399.033924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.033924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.033924 (E_RNA) where: Base-Base interactions energy: -970.248 where: short stacking energy: -414.350 Base-Backbone interact. energy: 2.336 local terms energy: -431.121720 where: bonds (distance) C4'-P energy: -84.891 bonds (distance) P-C4' energy: -90.279 flat angles C4'-P-C4' energy: -105.108 flat angles P-C4'-P energy: -58.736 tors. eta vs tors. theta energy: -92.108 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: 8, replica: 9 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1370.559721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.559721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.559721 (E_RNA) where: Base-Base interactions energy: -917.380 where: short stacking energy: -376.371 Base-Backbone interact. energy: 0.295 local terms energy: -453.475079 where: bonds (distance) C4'-P energy: -94.969 bonds (distance) P-C4' energy: -96.060 flat angles C4'-P-C4' energy: -101.989 flat angles P-C4'-P energy: -72.026 tors. eta vs tors. theta energy: -88.431 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: 9, replica: 10 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1266.325831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.325831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.325831 (E_RNA) where: Base-Base interactions energy: -856.846 where: short stacking energy: -369.018 Base-Backbone interact. energy: 2.624 local terms energy: -412.104504 where: bonds (distance) C4'-P energy: -84.036 bonds (distance) P-C4' energy: -101.581 flat angles C4'-P-C4' energy: -93.260 flat angles P-C4'-P energy: -55.673 tors. eta vs tors. theta energy: -77.555 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: 10, replica: 7 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -1095.029867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.029867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.029867 (E_RNA) where: Base-Base interactions energy: -705.940 where: short stacking energy: -314.599 Base-Backbone interact. energy: 0.924 local terms energy: -390.014190 where: bonds (distance) C4'-P energy: -75.887 bonds (distance) P-C4' energy: -96.685 flat angles C4'-P-C4' energy: -95.406 flat angles P-C4'-P energy: -54.687 tors. eta vs tors. theta energy: -67.350 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: 1, replica: 2 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1925.645386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.645386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.645386 (E_RNA) where: Base-Base interactions energy: -1369.855 where: short stacking energy: -567.096 Base-Backbone interact. energy: 1.118 local terms energy: -556.907474 where: bonds (distance) C4'-P energy: -85.647 bonds (distance) P-C4' energy: -108.429 flat angles C4'-P-C4' energy: -123.849 flat angles P-C4'-P energy: -80.076 tors. eta vs tors. theta energy: -158.907 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: 2, replica: 8 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1891.991879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.991879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.991879 (E_RNA) where: Base-Base interactions energy: -1334.176 where: short stacking energy: -546.364 Base-Backbone interact. energy: 0.375 local terms energy: -558.191620 where: bonds (distance) C4'-P energy: -97.441 bonds (distance) P-C4' energy: -108.269 flat angles C4'-P-C4' energy: -112.416 flat angles P-C4'-P energy: -83.045 tors. eta vs tors. theta energy: -157.021 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: 3, replica: 3 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1856.957973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.957973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.957973 (E_RNA) where: Base-Base interactions energy: -1325.895 where: short stacking energy: -559.413 Base-Backbone interact. energy: -0.650 local terms energy: -530.412404 where: bonds (distance) C4'-P energy: -80.299 bonds (distance) P-C4' energy: -105.399 flat angles C4'-P-C4' energy: -114.610 flat angles P-C4'-P energy: -71.336 tors. eta vs tors. theta energy: -158.768 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: 4, replica: 1 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1802.483690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.483690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.483690 (E_RNA) where: Base-Base interactions energy: -1252.503 where: short stacking energy: -498.465 Base-Backbone interact. energy: -1.010 local terms energy: -548.970267 where: bonds (distance) C4'-P energy: -99.129 bonds (distance) P-C4' energy: -111.576 flat angles C4'-P-C4' energy: -117.454 flat angles P-C4'-P energy: -77.014 tors. eta vs tors. theta energy: -143.797 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: 5, replica: 5 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1651.426262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.426262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.426262 (E_RNA) where: Base-Base interactions energy: -1159.928 where: short stacking energy: -472.471 Base-Backbone interact. energy: 1.293 local terms energy: -492.791370 where: bonds (distance) C4'-P energy: -89.543 bonds (distance) P-C4' energy: -101.862 flat angles C4'-P-C4' energy: -109.523 flat angles P-C4'-P energy: -71.542 tors. eta vs tors. theta energy: -120.321 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: 4 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1664.696167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.696167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.696167 (E_RNA) where: Base-Base interactions energy: -1166.839 where: short stacking energy: -479.133 Base-Backbone interact. energy: -0.318 local terms energy: -497.539159 where: bonds (distance) C4'-P energy: -93.861 bonds (distance) P-C4' energy: -105.936 flat angles C4'-P-C4' energy: -104.775 flat angles P-C4'-P energy: -62.532 tors. eta vs tors. theta energy: -130.435 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: 7, replica: 6 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1420.534229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.534229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.534229 (E_RNA) where: Base-Base interactions energy: -981.773 where: short stacking energy: -400.915 Base-Backbone interact. energy: -1.737 local terms energy: -437.024264 where: bonds (distance) C4'-P energy: -79.195 bonds (distance) P-C4' energy: -104.449 flat angles C4'-P-C4' energy: -88.827 flat angles P-C4'-P energy: -62.573 tors. eta vs tors. theta energy: -101.981 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: 9 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1363.042970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.042970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.042970 (E_RNA) where: Base-Base interactions energy: -920.944 where: short stacking energy: -383.565 Base-Backbone interact. energy: 5.416 local terms energy: -447.514579 where: bonds (distance) C4'-P energy: -90.200 bonds (distance) P-C4' energy: -101.278 flat angles C4'-P-C4' energy: -92.274 flat angles P-C4'-P energy: -76.401 tors. eta vs tors. theta energy: -87.361 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: 10 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1242.756236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.756236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.756236 (E_RNA) where: Base-Base interactions energy: -835.988 where: short stacking energy: -348.237 Base-Backbone interact. energy: 7.615 local terms energy: -414.383691 where: bonds (distance) C4'-P energy: -91.379 bonds (distance) P-C4' energy: -99.170 flat angles C4'-P-C4' energy: -92.469 flat angles P-C4'-P energy: -59.410 tors. eta vs tors. theta energy: -71.956 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: 10, replica: 7 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -1120.763948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.763948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.763948 (E_RNA) where: Base-Base interactions energy: -735.818 where: short stacking energy: -323.284 Base-Backbone interact. energy: 0.342 local terms energy: -385.288190 where: bonds (distance) C4'-P energy: -82.490 bonds (distance) P-C4' energy: -99.186 flat angles C4'-P-C4' energy: -84.864 flat angles P-C4'-P energy: -54.648 tors. eta vs tors. theta energy: -64.100 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: 2 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1920.930740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.930740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.930740 (E_RNA) where: Base-Base interactions energy: -1329.766 where: short stacking energy: -552.674 Base-Backbone interact. energy: -3.535 local terms energy: -587.629708 where: bonds (distance) C4'-P energy: -92.134 bonds (distance) P-C4' energy: -120.225 flat angles C4'-P-C4' energy: -124.624 flat angles P-C4'-P energy: -90.345 tors. eta vs tors. theta energy: -160.302 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: 8 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1916.246002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.246002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.246002 (E_RNA) where: Base-Base interactions energy: -1339.498 where: short stacking energy: -550.255 Base-Backbone interact. energy: -0.216 local terms energy: -576.531526 where: bonds (distance) C4'-P energy: -101.804 bonds (distance) P-C4' energy: -108.992 flat angles C4'-P-C4' energy: -122.309 flat angles P-C4'-P energy: -87.163 tors. eta vs tors. theta energy: -156.264 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: 3 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1836.289130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.289130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.289130 (E_RNA) where: Base-Base interactions energy: -1282.215 where: short stacking energy: -525.966 Base-Backbone interact. energy: -3.013 local terms energy: -551.060443 where: bonds (distance) C4'-P energy: -99.368 bonds (distance) P-C4' energy: -108.523 flat angles C4'-P-C4' energy: -115.650 flat angles P-C4'-P energy: -79.915 tors. eta vs tors. theta energy: -147.604 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: 4, replica: 1 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1768.720510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.720510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.720510 (E_RNA) where: Base-Base interactions energy: -1241.515 where: short stacking energy: -529.927 Base-Backbone interact. energy: 0.731 local terms energy: -527.936265 where: bonds (distance) C4'-P energy: -77.751 bonds (distance) P-C4' energy: -111.558 flat angles C4'-P-C4' energy: -113.256 flat angles P-C4'-P energy: -79.212 tors. eta vs tors. theta energy: -146.159 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: 5, replica: 5 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1662.099209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.099209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.099209 (E_RNA) where: Base-Base interactions energy: -1154.731 where: short stacking energy: -472.992 Base-Backbone interact. energy: -2.399 local terms energy: -504.969031 where: bonds (distance) C4'-P energy: -92.687 bonds (distance) P-C4' energy: -105.256 flat angles C4'-P-C4' energy: -98.206 flat angles P-C4'-P energy: -73.349 tors. eta vs tors. theta energy: -135.471 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: 6, replica: 4 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1661.656818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.656818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.656818 (E_RNA) where: Base-Base interactions energy: -1153.047 where: short stacking energy: -469.779 Base-Backbone interact. energy: 1.874 local terms energy: -510.484619 where: bonds (distance) C4'-P energy: -102.423 bonds (distance) P-C4' energy: -105.851 flat angles C4'-P-C4' energy: -101.131 flat angles P-C4'-P energy: -75.407 tors. eta vs tors. theta energy: -125.673 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: 7, replica: 6 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1458.841060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.841060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.841060 (E_RNA) where: Base-Base interactions energy: -1011.063 where: short stacking energy: -408.934 Base-Backbone interact. energy: 2.108 local terms energy: -449.886101 where: bonds (distance) C4'-P energy: -94.158 bonds (distance) P-C4' energy: -107.620 flat angles C4'-P-C4' energy: -88.838 flat angles P-C4'-P energy: -67.490 tors. eta vs tors. theta energy: -91.780 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: 9 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1359.963119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.963119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.963119 (E_RNA) where: Base-Base interactions energy: -915.860 where: short stacking energy: -411.598 Base-Backbone interact. energy: -0.138 local terms energy: -443.965015 where: bonds (distance) C4'-P energy: -89.884 bonds (distance) P-C4' energy: -88.793 flat angles C4'-P-C4' energy: -91.311 flat angles P-C4'-P energy: -71.482 tors. eta vs tors. theta energy: -102.495 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: 9, replica: 10 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1242.055165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.055165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.055165 (E_RNA) where: Base-Base interactions energy: -837.018 where: short stacking energy: -357.894 Base-Backbone interact. energy: -1.793 local terms energy: -403.244229 where: bonds (distance) C4'-P energy: -83.068 bonds (distance) P-C4' energy: -98.570 flat angles C4'-P-C4' energy: -94.802 flat angles P-C4'-P energy: -55.643 tors. eta vs tors. theta energy: -71.161 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: 10, replica: 7 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -1097.305907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.305907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.305907 (E_RNA) where: Base-Base interactions energy: -720.151 where: short stacking energy: -329.922 Base-Backbone interact. energy: -1.563 local terms energy: -375.592434 where: bonds (distance) C4'-P energy: -82.831 bonds (distance) P-C4' energy: -99.527 flat angles C4'-P-C4' energy: -82.149 flat angles P-C4'-P energy: -51.714 tors. eta vs tors. theta energy: -59.372 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: 2 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1904.854381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.854381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.854381 (E_RNA) where: Base-Base interactions energy: -1344.530 where: short stacking energy: -567.175 Base-Backbone interact. energy: -1.491 local terms energy: -558.833139 where: bonds (distance) C4'-P energy: -95.144 bonds (distance) P-C4' energy: -112.072 flat angles C4'-P-C4' energy: -116.569 flat angles P-C4'-P energy: -80.148 tors. eta vs tors. theta energy: -154.900 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: 8 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1898.150342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.150342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.150342 (E_RNA) where: Base-Base interactions energy: -1324.098 where: short stacking energy: -564.295 Base-Backbone interact. energy: -2.499 local terms energy: -571.552953 where: bonds (distance) C4'-P energy: -97.070 bonds (distance) P-C4' energy: -111.333 flat angles C4'-P-C4' energy: -126.467 flat angles P-C4'-P energy: -78.161 tors. eta vs tors. theta energy: -158.521 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: 3 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1819.415607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.415607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.415607 (E_RNA) where: Base-Base interactions energy: -1264.914 where: short stacking energy: -514.188 Base-Backbone interact. energy: -0.327 local terms energy: -554.174791 where: bonds (distance) C4'-P energy: -96.956 bonds (distance) P-C4' energy: -114.625 flat angles C4'-P-C4' energy: -117.661 flat angles P-C4'-P energy: -78.623 tors. eta vs tors. theta energy: -146.310 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: 4, replica: 1 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1724.450801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.450801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.450801 (E_RNA) where: Base-Base interactions energy: -1197.440 where: short stacking energy: -492.206 Base-Backbone interact. energy: 3.044 local terms energy: -530.055051 where: bonds (distance) C4'-P energy: -97.038 bonds (distance) P-C4' energy: -116.673 flat angles C4'-P-C4' energy: -105.940 flat angles P-C4'-P energy: -80.064 tors. eta vs tors. theta energy: -130.340 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: 5 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1664.493691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.493691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.493691 (E_RNA) where: Base-Base interactions energy: -1159.704 where: short stacking energy: -464.895 Base-Backbone interact. energy: -1.642 local terms energy: -503.148383 where: bonds (distance) C4'-P energy: -92.992 bonds (distance) P-C4' energy: -104.333 flat angles C4'-P-C4' energy: -99.582 flat angles P-C4'-P energy: -77.286 tors. eta vs tors. theta energy: -128.955 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: 4 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1636.304031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.304031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.304031 (E_RNA) where: Base-Base interactions energy: -1148.261 where: short stacking energy: -480.810 Base-Backbone interact. energy: 1.498 local terms energy: -489.541496 where: bonds (distance) C4'-P energy: -87.384 bonds (distance) P-C4' energy: -94.220 flat angles C4'-P-C4' energy: -114.160 flat angles P-C4'-P energy: -69.860 tors. eta vs tors. theta energy: -123.917 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: 6 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1453.500714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.500714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.500714 (E_RNA) where: Base-Base interactions energy: -973.675 where: short stacking energy: -433.040 Base-Backbone interact. energy: 3.535 local terms energy: -483.360976 where: bonds (distance) C4'-P energy: -99.511 bonds (distance) P-C4' energy: -98.053 flat angles C4'-P-C4' energy: -120.263 flat angles P-C4'-P energy: -56.436 tors. eta vs tors. theta energy: -109.098 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: 8, replica: 9 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1328.457507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.457507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.457507 (E_RNA) where: Base-Base interactions energy: -900.359 where: short stacking energy: -366.270 Base-Backbone interact. energy: 6.414 local terms energy: -434.512071 where: bonds (distance) C4'-P energy: -86.767 bonds (distance) P-C4' energy: -106.191 flat angles C4'-P-C4' energy: -94.940 flat angles P-C4'-P energy: -59.593 tors. eta vs tors. theta energy: -87.022 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: 10 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1247.402252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.402252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.402252 (E_RNA) where: Base-Base interactions energy: -837.730 where: short stacking energy: -352.850 Base-Backbone interact. energy: -0.103 local terms energy: -409.568873 where: bonds (distance) C4'-P energy: -83.976 bonds (distance) P-C4' energy: -89.837 flat angles C4'-P-C4' energy: -93.646 flat angles P-C4'-P energy: -60.382 tors. eta vs tors. theta energy: -81.727 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: 10, replica: 7 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -1090.813376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.813376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.813376 (E_RNA) where: Base-Base interactions energy: -714.193 where: short stacking energy: -331.629 Base-Backbone interact. energy: 1.799 local terms energy: -378.418817 where: bonds (distance) C4'-P energy: -92.454 bonds (distance) P-C4' energy: -97.167 flat angles C4'-P-C4' energy: -84.030 flat angles P-C4'-P energy: -46.897 tors. eta vs tors. theta energy: -57.871 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: 1, replica: 2 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1911.595075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.595075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.595075 (E_RNA) where: Base-Base interactions energy: -1329.081 where: short stacking energy: -553.331 Base-Backbone interact. energy: -2.526 local terms energy: -579.988593 where: bonds (distance) C4'-P energy: -101.544 bonds (distance) P-C4' energy: -117.278 flat angles C4'-P-C4' energy: -120.537 flat angles P-C4'-P energy: -85.676 tors. eta vs tors. theta energy: -154.954 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: 8 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1909.960517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.960517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.960517 (E_RNA) where: Base-Base interactions energy: -1340.707 where: short stacking energy: -558.930 Base-Backbone interact. energy: 1.862 local terms energy: -571.115777 where: bonds (distance) C4'-P energy: -107.152 bonds (distance) P-C4' energy: -109.772 flat angles C4'-P-C4' energy: -112.410 flat angles P-C4'-P energy: -79.726 tors. eta vs tors. theta energy: -162.055 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: 3 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1844.908398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.908398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.908398 (E_RNA) where: Base-Base interactions energy: -1299.430 where: short stacking energy: -525.753 Base-Backbone interact. energy: 9.300 local terms energy: -554.778119 where: bonds (distance) C4'-P energy: -96.482 bonds (distance) P-C4' energy: -107.777 flat angles C4'-P-C4' energy: -113.850 flat angles P-C4'-P energy: -79.814 tors. eta vs tors. theta energy: -156.854 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: 4, replica: 1 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1767.500433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.500433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.500433 (E_RNA) where: Base-Base interactions energy: -1255.557 where: short stacking energy: -512.364 Base-Backbone interact. energy: 2.646 local terms energy: -514.588647 where: bonds (distance) C4'-P energy: -82.508 bonds (distance) P-C4' energy: -92.528 flat angles C4'-P-C4' energy: -114.126 flat angles P-C4'-P energy: -80.809 tors. eta vs tors. theta energy: -144.616 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: 5, replica: 5 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1630.248019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.248019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.248019 (E_RNA) where: Base-Base interactions energy: -1146.197 where: short stacking energy: -462.172 Base-Backbone interact. energy: -0.417 local terms energy: -483.634749 where: bonds (distance) C4'-P energy: -90.439 bonds (distance) P-C4' energy: -106.070 flat angles C4'-P-C4' energy: -99.276 flat angles P-C4'-P energy: -74.487 tors. eta vs tors. theta energy: -113.362 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: 4 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1638.296845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.296845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.296845 (E_RNA) where: Base-Base interactions energy: -1153.494 where: short stacking energy: -463.021 Base-Backbone interact. energy: 1.895 local terms energy: -486.698031 where: bonds (distance) C4'-P energy: -84.385 bonds (distance) P-C4' energy: -106.005 flat angles C4'-P-C4' energy: -103.299 flat angles P-C4'-P energy: -69.915 tors. eta vs tors. theta energy: -123.095 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: 7, replica: 6 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1479.882348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.882348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.882348 (E_RNA) where: Base-Base interactions energy: -988.535 where: short stacking energy: -426.412 Base-Backbone interact. energy: 1.108 local terms energy: -492.455622 where: bonds (distance) C4'-P energy: -100.555 bonds (distance) P-C4' energy: -101.032 flat angles C4'-P-C4' energy: -108.612 flat angles P-C4'-P energy: -68.808 tors. eta vs tors. theta energy: -113.449 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: 8, replica: 9 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1314.690722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.690722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.690722 (E_RNA) where: Base-Base interactions energy: -879.461 where: short stacking energy: -377.674 Base-Backbone interact. energy: -3.392 local terms energy: -431.837569 where: bonds (distance) C4'-P energy: -77.409 bonds (distance) P-C4' energy: -94.339 flat angles C4'-P-C4' energy: -106.625 flat angles P-C4'-P energy: -72.628 tors. eta vs tors. theta energy: -80.836 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: 10 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1248.143801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.143801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.143801 (E_RNA) where: Base-Base interactions energy: -831.051 where: short stacking energy: -370.970 Base-Backbone interact. energy: 4.527 local terms energy: -421.619837 where: bonds (distance) C4'-P energy: -83.206 bonds (distance) P-C4' energy: -94.727 flat angles C4'-P-C4' energy: -89.578 flat angles P-C4'-P energy: -70.150 tors. eta vs tors. theta energy: -83.959 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: 7 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -1116.748925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.748925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.748925 (E_RNA) where: Base-Base interactions energy: -727.457 where: short stacking energy: -318.968 Base-Backbone interact. energy: 2.342 local terms energy: -391.633579 where: bonds (distance) C4'-P energy: -81.117 bonds (distance) P-C4' energy: -102.348 flat angles C4'-P-C4' energy: -80.852 flat angles P-C4'-P energy: -61.786 tors. eta vs tors. theta energy: -65.531 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: 1, replica: 2 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1923.769128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.769128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.769128 (E_RNA) where: Base-Base interactions energy: -1353.453 where: short stacking energy: -569.553 Base-Backbone interact. energy: -0.418 local terms energy: -569.898974 where: bonds (distance) C4'-P energy: -105.005 bonds (distance) P-C4' energy: -114.699 flat angles C4'-P-C4' energy: -119.772 flat angles P-C4'-P energy: -75.548 tors. eta vs tors. theta energy: -154.875 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: 2, replica: 8 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1889.006085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.006085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.006085 (E_RNA) where: Base-Base interactions energy: -1321.595 where: short stacking energy: -545.171 Base-Backbone interact. energy: -0.821 local terms energy: -566.590479 where: bonds (distance) C4'-P energy: -96.381 bonds (distance) P-C4' energy: -112.862 flat angles C4'-P-C4' energy: -119.850 flat angles P-C4'-P energy: -77.506 tors. eta vs tors. theta energy: -159.991 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: 3, replica: 3 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1863.326922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.326922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.326922 (E_RNA) where: Base-Base interactions energy: -1295.384 where: short stacking energy: -532.588 Base-Backbone interact. energy: -1.885 local terms energy: -566.058050 where: bonds (distance) C4'-P energy: -91.288 bonds (distance) P-C4' energy: -116.801 flat angles C4'-P-C4' energy: -121.064 flat angles P-C4'-P energy: -82.038 tors. eta vs tors. theta energy: -154.866 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: 260 Temperature: 1.050000 Total energy: -1762.035081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.035081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.035081 (E_RNA) where: Base-Base interactions energy: -1222.946 where: short stacking energy: -500.303 Base-Backbone interact. energy: 0.980 local terms energy: -540.068725 where: bonds (distance) C4'-P energy: -97.467 bonds (distance) P-C4' energy: -110.148 flat angles C4'-P-C4' energy: -112.790 flat angles P-C4'-P energy: -80.269 tors. eta vs tors. theta energy: -139.394 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: 5, replica: 4 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1615.890247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.890247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.890247 (E_RNA) where: Base-Base interactions energy: -1129.115 where: short stacking energy: -463.155 Base-Backbone interact. energy: 0.432 local terms energy: -487.207912 where: bonds (distance) C4'-P energy: -84.446 bonds (distance) P-C4' energy: -112.507 flat angles C4'-P-C4' energy: -114.006 flat angles P-C4'-P energy: -58.271 tors. eta vs tors. theta energy: -117.978 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: 6, replica: 5 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1627.518566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.518566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.518566 (E_RNA) where: Base-Base interactions energy: -1162.938 where: short stacking energy: -467.252 Base-Backbone interact. energy: -2.998 local terms energy: -461.582511 where: bonds (distance) C4'-P energy: -78.437 bonds (distance) P-C4' energy: -88.563 flat angles C4'-P-C4' energy: -111.466 flat angles P-C4'-P energy: -66.963 tors. eta vs tors. theta energy: -116.153 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: 7, replica: 6 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1453.519020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.519020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.519020 (E_RNA) where: Base-Base interactions energy: -968.740 where: short stacking energy: -403.139 Base-Backbone interact. energy: 1.135 local terms energy: -485.913732 where: bonds (distance) C4'-P energy: -87.406 bonds (distance) P-C4' energy: -105.594 flat angles C4'-P-C4' energy: -107.288 flat angles P-C4'-P energy: -75.515 tors. eta vs tors. theta energy: -110.110 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: 9 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1349.560376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.560376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.560376 (E_RNA) where: Base-Base interactions energy: -899.325 where: short stacking energy: -364.224 Base-Backbone interact. energy: 2.048 local terms energy: -452.283890 where: bonds (distance) C4'-P energy: -90.547 bonds (distance) P-C4' energy: -94.317 flat angles C4'-P-C4' energy: -98.268 flat angles P-C4'-P energy: -63.660 tors. eta vs tors. theta energy: -105.491 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: 9, replica: 10 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1282.831202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.831202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.831202 (E_RNA) where: Base-Base interactions energy: -883.668 where: short stacking energy: -370.860 Base-Backbone interact. energy: -0.792 local terms energy: -398.370479 where: bonds (distance) C4'-P energy: -72.633 bonds (distance) P-C4' energy: -103.993 flat angles C4'-P-C4' energy: -87.219 flat angles P-C4'-P energy: -55.972 tors. eta vs tors. theta energy: -78.553 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: 7 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -1120.291341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.291341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.291341 (E_RNA) where: Base-Base interactions energy: -719.312 where: short stacking energy: -338.434 Base-Backbone interact. energy: -0.165 local terms energy: -400.814783 where: bonds (distance) C4'-P energy: -70.532 bonds (distance) P-C4' energy: -105.048 flat angles C4'-P-C4' energy: -91.796 flat angles P-C4'-P energy: -64.054 tors. eta vs tors. theta energy: -69.385 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: 1, replica: 2 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1918.707857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.707857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.707857 (E_RNA) where: Base-Base interactions energy: -1340.546 where: short stacking energy: -551.397 Base-Backbone interact. energy: -0.994 local terms energy: -577.167450 where: bonds (distance) C4'-P energy: -97.807 bonds (distance) P-C4' energy: -114.133 flat angles C4'-P-C4' energy: -124.463 flat angles P-C4'-P energy: -81.221 tors. eta vs tors. theta energy: -159.544 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: 2, replica: 3 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1869.942233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.942233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.942233 (E_RNA) where: Base-Base interactions energy: -1314.241 where: short stacking energy: -554.142 Base-Backbone interact. energy: -0.812 local terms energy: -554.888865 where: bonds (distance) C4'-P energy: -97.261 bonds (distance) P-C4' energy: -104.357 flat angles C4'-P-C4' energy: -117.775 flat angles P-C4'-P energy: -75.916 tors. eta vs tors. theta energy: -159.580 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: 3, replica: 8 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1850.166462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.166462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.166462 (E_RNA) where: Base-Base interactions energy: -1304.946 where: short stacking energy: -541.584 Base-Backbone interact. energy: -1.753 local terms energy: -543.467910 where: bonds (distance) C4'-P energy: -86.217 bonds (distance) P-C4' energy: -113.533 flat angles C4'-P-C4' energy: -109.374 flat angles P-C4'-P energy: -79.410 tors. eta vs tors. theta energy: -154.934 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: 4, replica: 1 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1763.136338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.136338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.136338 (E_RNA) where: Base-Base interactions energy: -1236.611 where: short stacking energy: -500.135 Base-Backbone interact. energy: -0.337 local terms energy: -526.188489 where: bonds (distance) C4'-P energy: -93.107 bonds (distance) P-C4' energy: -112.819 flat angles C4'-P-C4' energy: -112.658 flat angles P-C4'-P energy: -78.330 tors. eta vs tors. theta energy: -129.274 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: 261 Temperature: 1.100000 Total energy: -1618.615416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.615416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.615416 (E_RNA) where: Base-Base interactions energy: -1107.102 where: short stacking energy: -470.562 Base-Backbone interact. energy: -2.061 local terms energy: -509.452868 where: bonds (distance) C4'-P energy: -101.650 bonds (distance) P-C4' energy: -104.525 flat angles C4'-P-C4' energy: -105.655 flat angles P-C4'-P energy: -68.634 tors. eta vs tors. theta energy: -128.989 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: 6, replica: 5 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1649.415674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.415674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.415674 (E_RNA) where: Base-Base interactions energy: -1162.702 where: short stacking energy: -469.209 Base-Backbone interact. energy: 0.961 local terms energy: -487.674182 where: bonds (distance) C4'-P energy: -86.348 bonds (distance) P-C4' energy: -106.432 flat angles C4'-P-C4' energy: -99.858 flat angles P-C4'-P energy: -66.426 tors. eta vs tors. theta energy: -128.611 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: 7, replica: 6 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1446.286266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.286266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.286266 (E_RNA) where: Base-Base interactions energy: -979.593 where: short stacking energy: -402.404 Base-Backbone interact. energy: -1.240 local terms energy: -465.454141 where: bonds (distance) C4'-P energy: -91.511 bonds (distance) P-C4' energy: -115.993 flat angles C4'-P-C4' energy: -106.763 flat angles P-C4'-P energy: -64.442 tors. eta vs tors. theta energy: -86.745 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: 8, replica: 9 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1392.904215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.904215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.904215 (E_RNA) where: Base-Base interactions energy: -945.348 where: short stacking energy: -408.329 Base-Backbone interact. energy: 4.668 local terms energy: -452.223470 where: bonds (distance) C4'-P energy: -81.135 bonds (distance) P-C4' energy: -111.248 flat angles C4'-P-C4' energy: -99.114 flat angles P-C4'-P energy: -59.825 tors. eta vs tors. theta energy: -100.901 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: 9, replica: 10 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1297.260154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.260154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.260154 (E_RNA) where: Base-Base interactions energy: -883.759 where: short stacking energy: -369.916 Base-Backbone interact. energy: 1.667 local terms energy: -415.167777 where: bonds (distance) C4'-P energy: -83.705 bonds (distance) P-C4' energy: -104.852 flat angles C4'-P-C4' energy: -85.975 flat angles P-C4'-P energy: -57.092 tors. eta vs tors. theta energy: -83.544 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: 7 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -1087.004014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.004014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.004014 (E_RNA) where: Base-Base interactions energy: -691.186 where: short stacking energy: -294.388 Base-Backbone interact. energy: 4.024 local terms energy: -399.842326 where: bonds (distance) C4'-P energy: -93.815 bonds (distance) P-C4' energy: -99.287 flat angles C4'-P-C4' energy: -99.149 flat angles P-C4'-P energy: -53.968 tors. eta vs tors. theta energy: -53.623 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: 2 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1912.814805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.814805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.814805 (E_RNA) where: Base-Base interactions energy: -1348.015 where: short stacking energy: -568.547 Base-Backbone interact. energy: 2.505 local terms energy: -567.304908 where: bonds (distance) C4'-P energy: -99.318 bonds (distance) P-C4' energy: -113.131 flat angles C4'-P-C4' energy: -122.111 flat angles P-C4'-P energy: -78.327 tors. eta vs tors. theta energy: -154.417 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: 2, replica: 3 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1880.575771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.575771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.575771 (E_RNA) where: Base-Base interactions energy: -1322.952 where: short stacking energy: -541.555 Base-Backbone interact. energy: 0.586 local terms energy: -558.209753 where: bonds (distance) C4'-P energy: -98.507 bonds (distance) P-C4' energy: -117.598 flat angles C4'-P-C4' energy: -111.918 flat angles P-C4'-P energy: -80.986 tors. eta vs tors. theta energy: -149.201 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: 3, replica: 8 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1860.829694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.829694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.829694 (E_RNA) where: Base-Base interactions energy: -1302.415 where: short stacking energy: -533.633 Base-Backbone interact. energy: -1.880 local terms energy: -556.534935 where: bonds (distance) C4'-P energy: -99.313 bonds (distance) P-C4' energy: -113.876 flat angles C4'-P-C4' energy: -111.754 flat angles P-C4'-P energy: -75.025 tors. eta vs tors. theta energy: -156.568 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: 262 Temperature: 1.050000 Total energy: -1742.664759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.664759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.664759 (E_RNA) where: Base-Base interactions energy: -1235.746 where: short stacking energy: -502.371 Base-Backbone interact. energy: 0.061 local terms energy: -506.979732 where: bonds (distance) C4'-P energy: -90.202 bonds (distance) P-C4' energy: -106.487 flat angles C4'-P-C4' energy: -116.545 flat angles P-C4'-P energy: -63.669 tors. eta vs tors. theta energy: -130.077 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: 5, replica: 5 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1648.851662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.851662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.851662 (E_RNA) where: Base-Base interactions energy: -1144.388 where: short stacking energy: -485.301 Base-Backbone interact. energy: 2.830 local terms energy: -507.293989 where: bonds (distance) C4'-P energy: -90.963 bonds (distance) P-C4' energy: -108.984 flat angles C4'-P-C4' energy: -111.379 flat angles P-C4'-P energy: -73.928 tors. eta vs tors. theta energy: -122.040 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: 6, replica: 4 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1564.388032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.388032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.388032 (E_RNA) where: Base-Base interactions energy: -1080.170 where: short stacking energy: -447.292 Base-Backbone interact. energy: -1.212 local terms energy: -483.005523 where: bonds (distance) C4'-P energy: -78.446 bonds (distance) P-C4' energy: -98.134 flat angles C4'-P-C4' energy: -108.664 flat angles P-C4'-P energy: -80.520 tors. eta vs tors. theta energy: -117.241 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: 7, replica: 9 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1410.354530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.354530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.354530 (E_RNA) where: Base-Base interactions energy: -942.854 where: short stacking energy: -393.820 Base-Backbone interact. energy: 1.935 local terms energy: -469.436209 where: bonds (distance) C4'-P energy: -86.870 bonds (distance) P-C4' energy: -111.709 flat angles C4'-P-C4' energy: -103.873 flat angles P-C4'-P energy: -68.800 tors. eta vs tors. theta energy: -98.184 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: 8, replica: 6 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1359.267991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.267991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.267991 (E_RNA) where: Base-Base interactions energy: -940.598 where: short stacking energy: -390.168 Base-Backbone interact. energy: 0.362 local terms energy: -419.031039 where: bonds (distance) C4'-P energy: -83.896 bonds (distance) P-C4' energy: -85.709 flat angles C4'-P-C4' energy: -91.495 flat angles P-C4'-P energy: -69.724 tors. eta vs tors. theta energy: -88.207 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: 10 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1155.972670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.972670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.972670 (E_RNA) where: Base-Base interactions energy: -746.838 where: short stacking energy: -315.750 Base-Backbone interact. energy: 1.406 local terms energy: -410.541274 where: bonds (distance) C4'-P energy: -80.753 bonds (distance) P-C4' energy: -102.194 flat angles C4'-P-C4' energy: -87.520 flat angles P-C4'-P energy: -71.386 tors. eta vs tors. theta energy: -68.689 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: 10, replica: 7 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -1093.610874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.610874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.610874 (E_RNA) where: Base-Base interactions energy: -739.623 where: short stacking energy: -317.810 Base-Backbone interact. energy: 4.529 local terms energy: -358.516608 where: bonds (distance) C4'-P energy: -72.839 bonds (distance) P-C4' energy: -96.036 flat angles C4'-P-C4' energy: -75.256 flat angles P-C4'-P energy: -56.464 tors. eta vs tors. theta energy: -57.921 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: 1, replica: 2 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1921.790060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.790060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.790060 (E_RNA) where: Base-Base interactions energy: -1360.570 where: short stacking energy: -549.858 Base-Backbone interact. energy: -1.072 local terms energy: -560.148042 where: bonds (distance) C4'-P energy: -90.648 bonds (distance) P-C4' energy: -114.399 flat angles C4'-P-C4' energy: -118.487 flat angles P-C4'-P energy: -78.796 tors. eta vs tors. theta energy: -157.818 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: 2, replica: 8 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1873.329438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.329438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.329438 (E_RNA) where: Base-Base interactions energy: -1310.531 where: short stacking energy: -522.925 Base-Backbone interact. energy: -0.704 local terms energy: -562.095288 where: bonds (distance) C4'-P energy: -105.393 bonds (distance) P-C4' energy: -113.232 flat angles C4'-P-C4' energy: -116.839 flat angles P-C4'-P energy: -74.565 tors. eta vs tors. theta energy: -152.065 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: 3 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1859.788858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.788858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.788858 (E_RNA) where: Base-Base interactions energy: -1303.309 where: short stacking energy: -532.785 Base-Backbone interact. energy: -3.847 local terms energy: -552.633066 where: bonds (distance) C4'-P energy: -101.663 bonds (distance) P-C4' energy: -114.187 flat angles C4'-P-C4' energy: -113.237 flat angles P-C4'-P energy: -72.907 tors. eta vs tors. theta energy: -150.639 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: 4, replica: 1 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1748.026198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.026198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.026198 (E_RNA) where: Base-Base interactions energy: -1210.057 where: short stacking energy: -499.790 Base-Backbone interact. energy: -0.799 local terms energy: -537.170216 where: bonds (distance) C4'-P energy: -95.041 bonds (distance) P-C4' energy: -113.497 flat angles C4'-P-C4' energy: -112.653 flat angles P-C4'-P energy: -76.549 tors. eta vs tors. theta energy: -139.430 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: 5 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1677.948319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.948319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.948319 (E_RNA) where: Base-Base interactions energy: -1174.595 where: short stacking energy: -475.373 Base-Backbone interact. energy: 1.386 local terms energy: -504.739284 where: bonds (distance) C4'-P energy: -105.719 bonds (distance) P-C4' energy: -108.878 flat angles C4'-P-C4' energy: -95.927 flat angles P-C4'-P energy: -61.531 tors. eta vs tors. theta energy: -132.685 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: 6, replica: 4 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1537.149087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.149087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.149087 (E_RNA) where: Base-Base interactions energy: -1063.274 where: short stacking energy: -442.192 Base-Backbone interact. energy: -1.837 local terms energy: -472.037815 where: bonds (distance) C4'-P energy: -95.585 bonds (distance) P-C4' energy: -100.779 flat angles C4'-P-C4' energy: -102.381 flat angles P-C4'-P energy: -64.125 tors. eta vs tors. theta energy: -109.167 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: 9 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1393.286472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.286472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.286472 (E_RNA) where: Base-Base interactions energy: -925.257 where: short stacking energy: -394.518 Base-Backbone interact. energy: 1.841 local terms energy: -469.870278 where: bonds (distance) C4'-P energy: -99.918 bonds (distance) P-C4' energy: -113.831 flat angles C4'-P-C4' energy: -94.441 flat angles P-C4'-P energy: -66.393 tors. eta vs tors. theta energy: -95.288 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: 8, replica: 6 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1349.854621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.854621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.854621 (E_RNA) where: Base-Base interactions energy: -896.814 where: short stacking energy: -404.337 Base-Backbone interact. energy: 2.580 local terms energy: -455.620432 where: bonds (distance) C4'-P energy: -90.586 bonds (distance) P-C4' energy: -101.642 flat angles C4'-P-C4' energy: -95.076 flat angles P-C4'-P energy: -71.830 tors. eta vs tors. theta energy: -96.485 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: 10 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1216.172815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.172815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.172815 (E_RNA) where: Base-Base interactions energy: -785.049 where: short stacking energy: -344.887 Base-Backbone interact. energy: -1.843 local terms energy: -429.280479 where: bonds (distance) C4'-P energy: -83.435 bonds (distance) P-C4' energy: -103.251 flat angles C4'-P-C4' energy: -98.417 flat angles P-C4'-P energy: -53.315 tors. eta vs tors. theta energy: -90.862 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: 10, replica: 7 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -1108.619774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.619774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.619774 (E_RNA) where: Base-Base interactions energy: -703.861 where: short stacking energy: -298.786 Base-Backbone interact. energy: -0.259 local terms energy: -404.499337 where: bonds (distance) C4'-P energy: -92.495 bonds (distance) P-C4' energy: -89.668 flat angles C4'-P-C4' energy: -101.140 flat angles P-C4'-P energy: -60.813 tors. eta vs tors. theta energy: -60.384 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: 1, replica: 8 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1906.251651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.251651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.251651 (E_RNA) where: Base-Base interactions energy: -1342.895 where: short stacking energy: -554.828 Base-Backbone interact. energy: -1.464 local terms energy: -561.893228 where: bonds (distance) C4'-P energy: -101.009 bonds (distance) P-C4' energy: -107.875 flat angles C4'-P-C4' energy: -119.956 flat angles P-C4'-P energy: -75.731 tors. eta vs tors. theta energy: -157.322 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: 2 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1913.028996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.028996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.028996 (E_RNA) where: Base-Base interactions energy: -1347.783 where: short stacking energy: -562.307 Base-Backbone interact. energy: 1.398 local terms energy: -566.644298 where: bonds (distance) C4'-P energy: -92.665 bonds (distance) P-C4' energy: -109.996 flat angles C4'-P-C4' energy: -118.513 flat angles P-C4'-P energy: -82.717 tors. eta vs tors. theta energy: -162.754 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: 3 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1835.551771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.551771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.551771 (E_RNA) where: Base-Base interactions energy: -1283.799 where: short stacking energy: -534.636 Base-Backbone interact. energy: -3.699 local terms energy: -548.054114 where: bonds (distance) C4'-P energy: -95.271 bonds (distance) P-C4' energy: -111.331 flat angles C4'-P-C4' energy: -119.583 flat angles P-C4'-P energy: -68.861 tors. eta vs tors. theta energy: -153.009 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: 1 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1775.006470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.006470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.006470 (E_RNA) where: Base-Base interactions energy: -1245.921 where: short stacking energy: -525.173 Base-Backbone interact. energy: 3.503 local terms energy: -532.588528 where: bonds (distance) C4'-P energy: -95.321 bonds (distance) P-C4' energy: -99.470 flat angles C4'-P-C4' energy: -115.266 flat angles P-C4'-P energy: -75.513 tors. eta vs tors. theta energy: -147.017 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: 5, replica: 5 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1707.223793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.223793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.223793 (E_RNA) where: Base-Base interactions energy: -1197.610 where: short stacking energy: -483.752 Base-Backbone interact. energy: -0.190 local terms energy: -509.423754 where: bonds (distance) C4'-P energy: -90.491 bonds (distance) P-C4' energy: -110.668 flat angles C4'-P-C4' energy: -114.833 flat angles P-C4'-P energy: -62.524 tors. eta vs tors. theta energy: -130.908 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: 6, replica: 4 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1567.690714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.690714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.690714 (E_RNA) where: Base-Base interactions energy: -1092.962 where: short stacking energy: -448.832 Base-Backbone interact. energy: -1.249 local terms energy: -473.479234 where: bonds (distance) C4'-P energy: -94.982 bonds (distance) P-C4' energy: -91.256 flat angles C4'-P-C4' energy: -104.256 flat angles P-C4'-P energy: -74.204 tors. eta vs tors. theta energy: -108.782 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: 7, replica: 9 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1455.603148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.603148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.603148 (E_RNA) where: Base-Base interactions energy: -972.105 where: short stacking energy: -418.968 Base-Backbone interact. energy: 2.077 local terms energy: -485.575038 where: bonds (distance) C4'-P energy: -84.628 bonds (distance) P-C4' energy: -108.732 flat angles C4'-P-C4' energy: -116.762 flat angles P-C4'-P energy: -72.391 tors. eta vs tors. theta energy: -103.061 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: 6 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1337.630315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.630315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.630315 (E_RNA) where: Base-Base interactions energy: -908.852 where: short stacking energy: -379.241 Base-Backbone interact. energy: -1.565 local terms energy: -427.213147 where: bonds (distance) C4'-P energy: -82.457 bonds (distance) P-C4' energy: -97.466 flat angles C4'-P-C4' energy: -96.624 flat angles P-C4'-P energy: -56.167 tors. eta vs tors. theta energy: -94.499 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: 9, replica: 7 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1140.947421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.947421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.947421 (E_RNA) where: Base-Base interactions energy: -724.982 where: short stacking energy: -326.165 Base-Backbone interact. energy: 0.743 local terms energy: -416.707623 where: bonds (distance) C4'-P energy: -79.065 bonds (distance) P-C4' energy: -116.810 flat angles C4'-P-C4' energy: -94.765 flat angles P-C4'-P energy: -60.147 tors. eta vs tors. theta energy: -65.920 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: 10 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -1188.112942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.112942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.112942 (E_RNA) where: Base-Base interactions energy: -804.733 where: short stacking energy: -359.537 Base-Backbone interact. energy: 3.287 local terms energy: -386.666942 where: bonds (distance) C4'-P energy: -86.037 bonds (distance) P-C4' energy: -88.791 flat angles C4'-P-C4' energy: -85.944 flat angles P-C4'-P energy: -56.511 tors. eta vs tors. theta energy: -69.384 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: 1, replica: 8 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1889.823699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.823699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.823699 (E_RNA) where: Base-Base interactions energy: -1323.874 where: short stacking energy: -538.196 Base-Backbone interact. energy: -0.054 local terms energy: -565.896081 where: bonds (distance) C4'-P energy: -105.412 bonds (distance) P-C4' energy: -113.136 flat angles C4'-P-C4' energy: -114.712 flat angles P-C4'-P energy: -75.007 tors. eta vs tors. theta energy: -157.630 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: 2, replica: 2 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1888.569430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.569430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.569430 (E_RNA) where: Base-Base interactions energy: -1334.070 where: short stacking energy: -550.889 Base-Backbone interact. energy: -2.631 local terms energy: -551.868494 where: bonds (distance) C4'-P energy: -88.216 bonds (distance) P-C4' energy: -114.464 flat angles C4'-P-C4' energy: -118.011 flat angles P-C4'-P energy: -79.664 tors. eta vs tors. theta energy: -151.513 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: 3, replica: 3 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1824.105548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.105548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.105548 (E_RNA) where: Base-Base interactions energy: -1271.316 where: short stacking energy: -522.898 Base-Backbone interact. energy: -2.061 local terms energy: -550.728112 where: bonds (distance) C4'-P energy: -95.406 bonds (distance) P-C4' energy: -105.275 flat angles C4'-P-C4' energy: -114.989 flat angles P-C4'-P energy: -87.744 tors. eta vs tors. theta energy: -147.315 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: 4, replica: 1 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1797.875327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.875327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.875327 (E_RNA) where: Base-Base interactions energy: -1267.645 where: short stacking energy: -509.828 Base-Backbone interact. energy: 0.556 local terms energy: -530.786403 where: bonds (distance) C4'-P energy: -101.178 bonds (distance) P-C4' energy: -103.982 flat angles C4'-P-C4' energy: -107.675 flat angles P-C4'-P energy: -80.108 tors. eta vs tors. theta energy: -137.843 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: 5, replica: 5 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1700.011084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.011084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.011084 (E_RNA) where: Base-Base interactions energy: -1199.012 where: short stacking energy: -474.744 Base-Backbone interact. energy: 8.777 local terms energy: -509.776074 where: bonds (distance) C4'-P energy: -104.352 bonds (distance) P-C4' energy: -101.358 flat angles C4'-P-C4' energy: -114.115 flat angles P-C4'-P energy: -72.470 tors. eta vs tors. theta energy: -117.482 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: 4 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1582.963073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.963073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.963073 (E_RNA) where: Base-Base interactions energy: -1101.209 where: short stacking energy: -470.105 Base-Backbone interact. energy: 0.408 local terms energy: -482.161281 where: bonds (distance) C4'-P energy: -86.802 bonds (distance) P-C4' energy: -110.356 flat angles C4'-P-C4' energy: -101.439 flat angles P-C4'-P energy: -56.557 tors. eta vs tors. theta energy: -127.007 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: 7, replica: 9 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1442.351932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.351932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.351932 (E_RNA) where: Base-Base interactions energy: -989.510 where: short stacking energy: -424.751 Base-Backbone interact. energy: 1.576 local terms energy: -454.417999 where: bonds (distance) C4'-P energy: -84.796 bonds (distance) P-C4' energy: -106.518 flat angles C4'-P-C4' energy: -92.645 flat angles P-C4'-P energy: -68.470 tors. eta vs tors. theta energy: -101.990 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: 8, replica: 6 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1359.393059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.393059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.393059 (E_RNA) where: Base-Base interactions energy: -921.919 where: short stacking energy: -400.224 Base-Backbone interact. energy: -1.274 local terms energy: -436.200565 where: bonds (distance) C4'-P energy: -89.305 bonds (distance) P-C4' energy: -109.488 flat angles C4'-P-C4' energy: -95.584 flat angles P-C4'-P energy: -55.407 tors. eta vs tors. theta energy: -86.418 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: 7 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1150.407855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.407855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.407855 (E_RNA) where: Base-Base interactions energy: -752.979 where: short stacking energy: -344.737 Base-Backbone interact. energy: 0.143 local terms energy: -397.572180 where: bonds (distance) C4'-P energy: -79.625 bonds (distance) P-C4' energy: -92.978 flat angles C4'-P-C4' energy: -83.039 flat angles P-C4'-P energy: -66.090 tors. eta vs tors. theta energy: -75.841 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: 10 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -1207.410663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.410663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.410663 (E_RNA) where: Base-Base interactions energy: -806.990 where: short stacking energy: -350.411 Base-Backbone interact. energy: 3.009 local terms energy: -403.429472 where: bonds (distance) C4'-P energy: -78.272 bonds (distance) P-C4' energy: -107.544 flat angles C4'-P-C4' energy: -102.855 flat angles P-C4'-P energy: -44.432 tors. eta vs tors. theta energy: -70.327 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: 1, replica: 8 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1910.682050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.682050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.682050 (E_RNA) where: Base-Base interactions energy: -1327.287 where: short stacking energy: -565.175 Base-Backbone interact. energy: -3.479 local terms energy: -579.916069 where: bonds (distance) C4'-P energy: -103.281 bonds (distance) P-C4' energy: -115.310 flat angles C4'-P-C4' energy: -114.991 flat angles P-C4'-P energy: -86.557 tors. eta vs tors. theta energy: -159.777 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: 2, replica: 2 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1898.795373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.795373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.795373 (E_RNA) where: Base-Base interactions energy: -1339.637 where: short stacking energy: -560.906 Base-Backbone interact. energy: -0.089 local terms energy: -559.070064 where: bonds (distance) C4'-P energy: -105.107 bonds (distance) P-C4' energy: -107.341 flat angles C4'-P-C4' energy: -112.700 flat angles P-C4'-P energy: -80.254 tors. eta vs tors. theta energy: -153.667 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: 1 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1817.586115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.586115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.586115 (E_RNA) where: Base-Base interactions energy: -1273.548 where: short stacking energy: -524.783 Base-Backbone interact. energy: -2.961 local terms energy: -541.077284 where: bonds (distance) C4'-P energy: -98.642 bonds (distance) P-C4' energy: -91.435 flat angles C4'-P-C4' energy: -119.449 flat angles P-C4'-P energy: -81.494 tors. eta vs tors. theta energy: -150.058 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: 4, replica: 3 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1787.334633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.334633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.334633 (E_RNA) where: Base-Base interactions energy: -1237.731 where: short stacking energy: -509.640 Base-Backbone interact. energy: 1.492 local terms energy: -551.095447 where: bonds (distance) C4'-P energy: -105.496 bonds (distance) P-C4' energy: -118.163 flat angles C4'-P-C4' energy: -107.406 flat angles P-C4'-P energy: -74.593 tors. eta vs tors. theta energy: -145.437 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: 266 Temperature: 1.100000 Total energy: -1683.475177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.475177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.475177 (E_RNA) where: Base-Base interactions energy: -1167.935 where: short stacking energy: -479.487 Base-Backbone interact. energy: -0.055 local terms energy: -515.485139 where: bonds (distance) C4'-P energy: -94.889 bonds (distance) P-C4' energy: -106.892 flat angles C4'-P-C4' energy: -117.558 flat angles P-C4'-P energy: -65.953 tors. eta vs tors. theta energy: -130.194 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: 6, replica: 4 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1592.650099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.650099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.650099 (E_RNA) where: Base-Base interactions energy: -1115.115 where: short stacking energy: -431.687 Base-Backbone interact. energy: 0.799 local terms energy: -478.333456 where: bonds (distance) C4'-P energy: -96.896 bonds (distance) P-C4' energy: -97.486 flat angles C4'-P-C4' energy: -100.314 flat angles P-C4'-P energy: -71.304 tors. eta vs tors. theta energy: -112.334 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: 7, replica: 9 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1408.457713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.457713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.457713 (E_RNA) where: Base-Base interactions energy: -961.742 where: short stacking energy: -421.931 Base-Backbone interact. energy: -1.261 local terms energy: -445.455297 where: bonds (distance) C4'-P energy: -89.952 bonds (distance) P-C4' energy: -104.640 flat angles C4'-P-C4' energy: -93.870 flat angles P-C4'-P energy: -55.707 tors. eta vs tors. theta energy: -101.286 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: 6 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1341.493395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.493395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.493395 (E_RNA) where: Base-Base interactions energy: -885.284 where: short stacking energy: -380.954 Base-Backbone interact. energy: -1.471 local terms energy: -454.738036 where: bonds (distance) C4'-P energy: -93.726 bonds (distance) P-C4' energy: -102.921 flat angles C4'-P-C4' energy: -96.685 flat angles P-C4'-P energy: -62.533 tors. eta vs tors. theta energy: -98.874 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: 9, replica: 10 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1245.188275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.188275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.188275 (E_RNA) where: Base-Base interactions energy: -800.473 where: short stacking energy: -357.192 Base-Backbone interact. energy: -2.826 local terms energy: -441.888813 where: bonds (distance) C4'-P energy: -102.659 bonds (distance) P-C4' energy: -106.307 flat angles C4'-P-C4' energy: -93.348 flat angles P-C4'-P energy: -59.496 tors. eta vs tors. theta energy: -80.078 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: 7 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -1100.330549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.330549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.330549 (E_RNA) where: Base-Base interactions energy: -691.067 where: short stacking energy: -296.142 Base-Backbone interact. energy: 1.374 local terms energy: -410.636753 where: bonds (distance) C4'-P energy: -97.242 bonds (distance) P-C4' energy: -106.715 flat angles C4'-P-C4' energy: -79.376 flat angles P-C4'-P energy: -65.314 tors. eta vs tors. theta energy: -61.990 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: 1, replica: 8 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1906.606299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.606299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.606299 (E_RNA) where: Base-Base interactions energy: -1345.249 where: short stacking energy: -551.247 Base-Backbone interact. energy: -3.054 local terms energy: -558.303909 where: bonds (distance) C4'-P energy: -92.624 bonds (distance) P-C4' energy: -115.170 flat angles C4'-P-C4' energy: -119.407 flat angles P-C4'-P energy: -76.409 tors. eta vs tors. theta energy: -154.693 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: 2 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1893.402369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.402369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.402369 (E_RNA) where: Base-Base interactions energy: -1327.690 where: short stacking energy: -554.625 Base-Backbone interact. energy: 1.917 local terms energy: -567.629255 where: bonds (distance) C4'-P energy: -108.154 bonds (distance) P-C4' energy: -104.925 flat angles C4'-P-C4' energy: -117.929 flat angles P-C4'-P energy: -77.587 tors. eta vs tors. theta energy: -159.035 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: 1 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1790.311643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.311643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.311643 (E_RNA) where: Base-Base interactions energy: -1255.296 where: short stacking energy: -520.084 Base-Backbone interact. energy: -0.566 local terms energy: -534.449356 where: bonds (distance) C4'-P energy: -87.135 bonds (distance) P-C4' energy: -101.780 flat angles C4'-P-C4' energy: -120.027 flat angles P-C4'-P energy: -84.080 tors. eta vs tors. theta energy: -141.428 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: 3 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1814.299180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.299180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.299180 (E_RNA) where: Base-Base interactions energy: -1279.972 where: short stacking energy: -544.198 Base-Backbone interact. energy: -0.460 local terms energy: -533.867496 where: bonds (distance) C4'-P energy: -90.067 bonds (distance) P-C4' energy: -115.071 flat angles C4'-P-C4' energy: -118.192 flat angles P-C4'-P energy: -66.047 tors. eta vs tors. theta energy: -144.491 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: 5, replica: 5 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1657.343014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.343014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.343014 (E_RNA) where: Base-Base interactions energy: -1158.652 where: short stacking energy: -476.478 Base-Backbone interact. energy: -0.579 local terms energy: -498.111630 where: bonds (distance) C4'-P energy: -88.585 bonds (distance) P-C4' energy: -108.753 flat angles C4'-P-C4' energy: -105.074 flat angles P-C4'-P energy: -69.490 tors. eta vs tors. theta energy: -126.209 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: 4 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1626.779795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.779795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.779795 (E_RNA) where: Base-Base interactions energy: -1098.515 where: short stacking energy: -456.385 Base-Backbone interact. energy: -1.621 local terms energy: -526.644035 where: bonds (distance) C4'-P energy: -94.554 bonds (distance) P-C4' energy: -105.835 flat angles C4'-P-C4' energy: -109.200 flat angles P-C4'-P energy: -79.186 tors. eta vs tors. theta energy: -137.869 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: 7, replica: 9 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1420.146132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.146132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.146132 (E_RNA) where: Base-Base interactions energy: -941.104 where: short stacking energy: -404.947 Base-Backbone interact. energy: 0.473 local terms energy: -479.515356 where: bonds (distance) C4'-P energy: -92.735 bonds (distance) P-C4' energy: -114.857 flat angles C4'-P-C4' energy: -102.578 flat angles P-C4'-P energy: -69.043 tors. eta vs tors. theta energy: -100.302 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: 6 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1358.484339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.484339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.484339 (E_RNA) where: Base-Base interactions energy: -928.894 where: short stacking energy: -389.506 Base-Backbone interact. energy: 1.421 local terms energy: -431.011227 where: bonds (distance) C4'-P energy: -82.854 bonds (distance) P-C4' energy: -102.736 flat angles C4'-P-C4' energy: -98.152 flat angles P-C4'-P energy: -56.904 tors. eta vs tors. theta energy: -90.365 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: 9, replica: 10 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1256.896339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.896339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.896339 (E_RNA) where: Base-Base interactions energy: -821.492 where: short stacking energy: -367.135 Base-Backbone interact. energy: -1.241 local terms energy: -434.163450 where: bonds (distance) C4'-P energy: -80.662 bonds (distance) P-C4' energy: -97.201 flat angles C4'-P-C4' energy: -100.630 flat angles P-C4'-P energy: -59.187 tors. eta vs tors. theta energy: -96.484 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: 10, replica: 7 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -1099.741115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.741115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.741115 (E_RNA) where: Base-Base interactions energy: -698.621 where: short stacking energy: -296.826 Base-Backbone interact. energy: 0.655 local terms energy: -401.775097 where: bonds (distance) C4'-P energy: -104.982 bonds (distance) P-C4' energy: -94.773 flat angles C4'-P-C4' energy: -90.105 flat angles P-C4'-P energy: -62.286 tors. eta vs tors. theta energy: -49.629 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: 1, replica: 2 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1922.837004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.837004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.837004 (E_RNA) where: Base-Base interactions energy: -1345.284 where: short stacking energy: -551.512 Base-Backbone interact. energy: -1.603 local terms energy: -575.950133 where: bonds (distance) C4'-P energy: -90.132 bonds (distance) P-C4' energy: -118.584 flat angles C4'-P-C4' energy: -117.329 flat angles P-C4'-P energy: -88.379 tors. eta vs tors. theta energy: -161.525 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: 8 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1897.205214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.205214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.205214 (E_RNA) where: Base-Base interactions energy: -1328.100 where: short stacking energy: -541.598 Base-Backbone interact. energy: -0.998 local terms energy: -568.107599 where: bonds (distance) C4'-P energy: -99.900 bonds (distance) P-C4' energy: -118.297 flat angles C4'-P-C4' energy: -108.530 flat angles P-C4'-P energy: -83.191 tors. eta vs tors. theta energy: -158.190 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: 3, replica: 1 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1787.978453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.978453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.978453 (E_RNA) where: Base-Base interactions energy: -1267.580 where: short stacking energy: -508.933 Base-Backbone interact. energy: -0.498 local terms energy: -519.900545 where: bonds (distance) C4'-P energy: -91.009 bonds (distance) P-C4' energy: -112.075 flat angles C4'-P-C4' energy: -106.356 flat angles P-C4'-P energy: -68.836 tors. eta vs tors. theta energy: -141.625 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: 3 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1809.881633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.881633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.881633 (E_RNA) where: Base-Base interactions energy: -1272.666 where: short stacking energy: -537.418 Base-Backbone interact. energy: -0.921 local terms energy: -536.294423 where: bonds (distance) C4'-P energy: -86.440 bonds (distance) P-C4' energy: -111.179 flat angles C4'-P-C4' energy: -114.326 flat angles P-C4'-P energy: -68.266 tors. eta vs tors. theta energy: -156.084 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: 5 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1673.795808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.795808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.795808 (E_RNA) where: Base-Base interactions energy: -1144.833 where: short stacking energy: -484.088 Base-Backbone interact. energy: 0.502 local terms energy: -529.465177 where: bonds (distance) C4'-P energy: -94.730 bonds (distance) P-C4' energy: -113.984 flat angles C4'-P-C4' energy: -109.323 flat angles P-C4'-P energy: -82.155 tors. eta vs tors. theta energy: -129.274 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: 6, replica: 4 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1610.706216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.706216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.706216 (E_RNA) where: Base-Base interactions energy: -1109.491 where: short stacking energy: -454.224 Base-Backbone interact. energy: 0.959 local terms energy: -502.174354 where: bonds (distance) C4'-P energy: -80.630 bonds (distance) P-C4' energy: -108.890 flat angles C4'-P-C4' energy: -110.655 flat angles P-C4'-P energy: -72.673 tors. eta vs tors. theta energy: -129.327 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: 9 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1433.528659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.528659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.528659 (E_RNA) where: Base-Base interactions energy: -968.885 where: short stacking energy: -432.897 Base-Backbone interact. energy: 1.038 local terms energy: -465.681023 where: bonds (distance) C4'-P energy: -80.659 bonds (distance) P-C4' energy: -104.634 flat angles C4'-P-C4' energy: -107.599 flat angles P-C4'-P energy: -68.156 tors. eta vs tors. theta energy: -104.633 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: 268 Temperature: 1.250000 Total energy: -1356.902660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.902660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.902660 (E_RNA) where: Base-Base interactions energy: -921.177 where: short stacking energy: -382.986 Base-Backbone interact. energy: -0.265 local terms energy: -435.460877 where: bonds (distance) C4'-P energy: -73.977 bonds (distance) P-C4' energy: -102.654 flat angles C4'-P-C4' energy: -94.675 flat angles P-C4'-P energy: -67.443 tors. eta vs tors. theta energy: -96.711 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: 9, replica: 10 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1263.251610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.251610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.251610 (E_RNA) where: Base-Base interactions energy: -841.921 where: short stacking energy: -351.879 Base-Backbone interact. energy: -1.685 local terms energy: -419.644959 where: bonds (distance) C4'-P energy: -85.971 bonds (distance) P-C4' energy: -101.637 flat angles C4'-P-C4' energy: -90.595 flat angles P-C4'-P energy: -54.382 tors. eta vs tors. theta energy: -87.061 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: 7 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -1078.147372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.147372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.147372 (E_RNA) where: Base-Base interactions energy: -692.959 where: short stacking energy: -312.293 Base-Backbone interact. energy: -2.777 local terms energy: -382.411632 where: bonds (distance) C4'-P energy: -89.644 bonds (distance) P-C4' energy: -89.082 flat angles C4'-P-C4' energy: -88.735 flat angles P-C4'-P energy: -49.425 tors. eta vs tors. theta energy: -65.525 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: 1, replica: 2 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1908.946001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.946001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.946001 (E_RNA) where: Base-Base interactions energy: -1345.523 where: short stacking energy: -557.535 Base-Backbone interact. energy: -2.824 local terms energy: -560.598748 where: bonds (distance) C4'-P energy: -100.277 bonds (distance) P-C4' energy: -110.973 flat angles C4'-P-C4' energy: -117.386 flat angles P-C4'-P energy: -74.767 tors. eta vs tors. theta energy: -157.195 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: 2, replica: 8 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1883.846170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.846170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.846170 (E_RNA) where: Base-Base interactions energy: -1324.538 where: short stacking energy: -559.353 Base-Backbone interact. energy: -0.616 local terms energy: -558.691944 where: bonds (distance) C4'-P energy: -100.743 bonds (distance) P-C4' energy: -102.140 flat angles C4'-P-C4' energy: -113.136 flat angles P-C4'-P energy: -86.069 tors. eta vs tors. theta energy: -156.603 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: 3, replica: 1 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1801.456639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.456639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.456639 (E_RNA) where: Base-Base interactions energy: -1264.952 where: short stacking energy: -533.810 Base-Backbone interact. energy: 2.834 local terms energy: -539.338874 where: bonds (distance) C4'-P energy: -99.905 bonds (distance) P-C4' energy: -106.546 flat angles C4'-P-C4' energy: -111.301 flat angles P-C4'-P energy: -78.877 tors. eta vs tors. theta energy: -142.710 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: 3 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1820.715926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.715926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.715926 (E_RNA) where: Base-Base interactions energy: -1290.295 where: short stacking energy: -526.245 Base-Backbone interact. energy: 0.313 local terms energy: -530.734437 where: bonds (distance) C4'-P energy: -83.282 bonds (distance) P-C4' energy: -106.614 flat angles C4'-P-C4' energy: -121.174 flat angles P-C4'-P energy: -68.047 tors. eta vs tors. theta energy: -151.617 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: 5 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1635.982948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.982948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.982948 (E_RNA) where: Base-Base interactions energy: -1162.011 where: short stacking energy: -460.542 Base-Backbone interact. energy: -0.262 local terms energy: -473.709579 where: bonds (distance) C4'-P energy: -78.571 bonds (distance) P-C4' energy: -94.660 flat angles C4'-P-C4' energy: -111.433 flat angles P-C4'-P energy: -72.463 tors. eta vs tors. theta energy: -116.583 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: 6, replica: 4 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1600.427550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.427550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.427550 (E_RNA) where: Base-Base interactions energy: -1126.519 where: short stacking energy: -451.206 Base-Backbone interact. energy: 0.230 local terms energy: -474.138468 where: bonds (distance) C4'-P energy: -75.443 bonds (distance) P-C4' energy: -95.114 flat angles C4'-P-C4' energy: -108.044 flat angles P-C4'-P energy: -70.915 tors. eta vs tors. theta energy: -124.623 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: 7, replica: 9 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1419.455889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.455889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.455889 (E_RNA) where: Base-Base interactions energy: -962.196 where: short stacking energy: -414.135 Base-Backbone interact. energy: 2.533 local terms energy: -459.792612 where: bonds (distance) C4'-P energy: -82.790 bonds (distance) P-C4' energy: -108.592 flat angles C4'-P-C4' energy: -97.862 flat angles P-C4'-P energy: -68.206 tors. eta vs tors. theta energy: -102.343 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: 269 Temperature: 1.250000 Total energy: -1357.698860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.698860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.698860 (E_RNA) where: Base-Base interactions energy: -924.903 where: short stacking energy: -379.556 Base-Backbone interact. energy: -0.391 local terms energy: -432.405155 where: bonds (distance) C4'-P energy: -75.742 bonds (distance) P-C4' energy: -104.380 flat angles C4'-P-C4' energy: -98.846 flat angles P-C4'-P energy: -65.523 tors. eta vs tors. theta energy: -87.915 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: 9, replica: 10 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1255.088841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.088841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.088841 (E_RNA) where: Base-Base interactions energy: -826.057 where: short stacking energy: -369.064 Base-Backbone interact. energy: -4.378 local terms energy: -424.653725 where: bonds (distance) C4'-P energy: -79.889 bonds (distance) P-C4' energy: -98.633 flat angles C4'-P-C4' energy: -102.455 flat angles P-C4'-P energy: -58.395 tors. eta vs tors. theta energy: -85.282 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: 10, replica: 7 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -1083.503967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.503967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.503967 (E_RNA) where: Base-Base interactions energy: -684.586 where: short stacking energy: -305.974 Base-Backbone interact. energy: -1.486 local terms energy: -397.431879 where: bonds (distance) C4'-P energy: -83.111 bonds (distance) P-C4' energy: -94.449 flat angles C4'-P-C4' energy: -95.690 flat angles P-C4'-P energy: -62.070 tors. eta vs tors. theta energy: -62.111 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: 1, replica: 8 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1915.164972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.164972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.164972 (E_RNA) where: Base-Base interactions energy: -1343.520 where: short stacking energy: -552.788 Base-Backbone interact. energy: -2.260 local terms energy: -569.384928 where: bonds (distance) C4'-P energy: -98.012 bonds (distance) P-C4' energy: -114.798 flat angles C4'-P-C4' energy: -108.538 flat angles P-C4'-P energy: -88.777 tors. eta vs tors. theta energy: -159.260 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: 2, replica: 2 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1876.715083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.715083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.715083 (E_RNA) where: Base-Base interactions energy: -1326.812 where: short stacking energy: -546.976 Base-Backbone interact. energy: -1.319 local terms energy: -548.584236 where: bonds (distance) C4'-P energy: -98.365 bonds (distance) P-C4' energy: -105.721 flat angles C4'-P-C4' energy: -115.408 flat angles P-C4'-P energy: -74.888 tors. eta vs tors. theta energy: -154.203 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: 3, replica: 3 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1836.000660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.000660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.000660 (E_RNA) where: Base-Base interactions energy: -1287.042 where: short stacking energy: -510.116 Base-Backbone interact. energy: 1.422 local terms energy: -550.381330 where: bonds (distance) C4'-P energy: -89.824 bonds (distance) P-C4' energy: -113.762 flat angles C4'-P-C4' energy: -114.096 flat angles P-C4'-P energy: -81.168 tors. eta vs tors. theta energy: -151.532 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: 4, replica: 1 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1798.317672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.317672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.317672 (E_RNA) where: Base-Base interactions energy: -1269.962 where: short stacking energy: -509.055 Base-Backbone interact. energy: 0.361 local terms energy: -528.716433 where: bonds (distance) C4'-P energy: -83.869 bonds (distance) P-C4' energy: -115.410 flat angles C4'-P-C4' energy: -112.923 flat angles P-C4'-P energy: -78.371 tors. eta vs tors. theta energy: -138.143 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: 5, replica: 5 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1681.003684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.003684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.003684 (E_RNA) where: Base-Base interactions energy: -1172.457 where: short stacking energy: -464.510 Base-Backbone interact. energy: 2.178 local terms energy: -510.723957 where: bonds (distance) C4'-P energy: -96.445 bonds (distance) P-C4' energy: -104.967 flat angles C4'-P-C4' energy: -108.048 flat angles P-C4'-P energy: -81.441 tors. eta vs tors. theta energy: -119.822 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: 4 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1588.947541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.947541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.947541 (E_RNA) where: Base-Base interactions energy: -1086.839 where: short stacking energy: -458.614 Base-Backbone interact. energy: 0.410 local terms energy: -502.518001 where: bonds (distance) C4'-P energy: -98.012 bonds (distance) P-C4' energy: -102.583 flat angles C4'-P-C4' energy: -106.671 flat angles P-C4'-P energy: -77.904 tors. eta vs tors. theta energy: -117.348 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: 9 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1434.567725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.567725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.567725 (E_RNA) where: Base-Base interactions energy: -953.276 where: short stacking energy: -409.576 Base-Backbone interact. energy: -1.658 local terms energy: -479.633662 where: bonds (distance) C4'-P energy: -104.829 bonds (distance) P-C4' energy: -105.204 flat angles C4'-P-C4' energy: -100.029 flat angles P-C4'-P energy: -72.085 tors. eta vs tors. theta energy: -97.487 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: 6 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1259.414805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.414805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.414805 (E_RNA) where: Base-Base interactions energy: -831.129 where: short stacking energy: -368.687 Base-Backbone interact. energy: -1.100 local terms energy: -427.186339 where: bonds (distance) C4'-P energy: -84.276 bonds (distance) P-C4' energy: -100.850 flat angles C4'-P-C4' energy: -88.261 flat angles P-C4'-P energy: -59.519 tors. eta vs tors. theta energy: -94.281 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: 9, replica: 10 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1268.378788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.378788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.378788 (E_RNA) where: Base-Base interactions energy: -843.503 where: short stacking energy: -355.417 Base-Backbone interact. energy: -2.547 local terms energy: -422.328988 where: bonds (distance) C4'-P energy: -88.446 bonds (distance) P-C4' energy: -93.220 flat angles C4'-P-C4' energy: -104.856 flat angles P-C4'-P energy: -61.861 tors. eta vs tors. theta energy: -73.945 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: 10, replica: 7 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -1113.366638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.366638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.366638 (E_RNA) where: Base-Base interactions energy: -700.490 where: short stacking energy: -303.538 Base-Backbone interact. energy: 1.012 local terms energy: -413.888496 where: bonds (distance) C4'-P energy: -95.227 bonds (distance) P-C4' energy: -105.659 flat angles C4'-P-C4' energy: -90.667 flat angles P-C4'-P energy: -53.561 tors. eta vs tors. theta energy: -68.774 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: 1, replica: 8 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1920.386326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.386326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.386326 (E_RNA) where: Base-Base interactions energy: -1345.710 where: short stacking energy: -552.007 Base-Backbone interact. energy: -0.416 local terms energy: -574.259864 where: bonds (distance) C4'-P energy: -108.426 bonds (distance) P-C4' energy: -101.878 flat angles C4'-P-C4' energy: -119.237 flat angles P-C4'-P energy: -87.555 tors. eta vs tors. theta energy: -157.165 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: 3 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1873.489192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.489192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.489192 (E_RNA) where: Base-Base interactions energy: -1305.428 where: short stacking energy: -536.124 Base-Backbone interact. energy: -2.052 local terms energy: -566.008917 where: bonds (distance) C4'-P energy: -109.012 bonds (distance) P-C4' energy: -115.423 flat angles C4'-P-C4' energy: -116.560 flat angles P-C4'-P energy: -72.876 tors. eta vs tors. theta energy: -152.138 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: 3, replica: 2 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1840.527001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.527001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.527001 (E_RNA) where: Base-Base interactions energy: -1293.474 where: short stacking energy: -536.686 Base-Backbone interact. energy: -1.931 local terms energy: -545.121927 where: bonds (distance) C4'-P energy: -95.935 bonds (distance) P-C4' energy: -110.560 flat angles C4'-P-C4' energy: -116.750 flat angles P-C4'-P energy: -72.981 tors. eta vs tors. theta energy: -148.896 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: 4, replica: 1 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1771.657684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.657684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.657684 (E_RNA) where: Base-Base interactions energy: -1249.005 where: short stacking energy: -502.943 Base-Backbone interact. energy: 2.196 local terms energy: -524.848795 where: bonds (distance) C4'-P energy: -94.832 bonds (distance) P-C4' energy: -112.876 flat angles C4'-P-C4' energy: -98.707 flat angles P-C4'-P energy: -79.716 tors. eta vs tors. theta energy: -138.719 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: 5, replica: 5 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1674.950981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.950981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.950981 (E_RNA) where: Base-Base interactions energy: -1181.647 where: short stacking energy: -491.354 Base-Backbone interact. energy: -0.878 local terms energy: -492.425420 where: bonds (distance) C4'-P energy: -91.001 bonds (distance) P-C4' energy: -102.532 flat angles C4'-P-C4' energy: -105.375 flat angles P-C4'-P energy: -70.803 tors. eta vs tors. theta energy: -122.714 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: 6, replica: 4 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1619.309639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.309639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.309639 (E_RNA) where: Base-Base interactions energy: -1122.083 where: short stacking energy: -445.212 Base-Backbone interact. energy: 3.143 local terms energy: -500.369592 where: bonds (distance) C4'-P energy: -100.432 bonds (distance) P-C4' energy: -108.594 flat angles C4'-P-C4' energy: -109.461 flat angles P-C4'-P energy: -59.739 tors. eta vs tors. theta energy: -122.144 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: 7, replica: 9 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1457.554883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.554883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.554883 (E_RNA) where: Base-Base interactions energy: -988.229 where: short stacking energy: -416.961 Base-Backbone interact. energy: 0.699 local terms energy: -470.024560 where: bonds (distance) C4'-P energy: -85.389 bonds (distance) P-C4' energy: -108.056 flat angles C4'-P-C4' energy: -100.962 flat angles P-C4'-P energy: -68.730 tors. eta vs tors. theta energy: -106.888 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: 10 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1276.108476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.108476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.108476 (E_RNA) where: Base-Base interactions energy: -822.432 where: short stacking energy: -364.165 Base-Backbone interact. energy: 0.132 local terms energy: -453.808783 where: bonds (distance) C4'-P energy: -99.259 bonds (distance) P-C4' energy: -95.861 flat angles C4'-P-C4' energy: -106.518 flat angles P-C4'-P energy: -67.445 tors. eta vs tors. theta energy: -84.727 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: 9, replica: 6 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1241.634103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.634103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.634103 (E_RNA) where: Base-Base interactions energy: -821.366 where: short stacking energy: -354.835 Base-Backbone interact. energy: -1.450 local terms energy: -418.818702 where: bonds (distance) C4'-P energy: -88.741 bonds (distance) P-C4' energy: -106.530 flat angles C4'-P-C4' energy: -91.634 flat angles P-C4'-P energy: -54.570 tors. eta vs tors. theta energy: -77.344 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: 10, replica: 7 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -1100.791412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.791412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.791412 (E_RNA) where: Base-Base interactions energy: -704.528 where: short stacking energy: -319.494 Base-Backbone interact. energy: 7.071 local terms energy: -403.334768 where: bonds (distance) C4'-P energy: -89.781 bonds (distance) P-C4' energy: -105.624 flat angles C4'-P-C4' energy: -86.938 flat angles P-C4'-P energy: -58.786 tors. eta vs tors. theta energy: -62.206 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: 8 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1910.129392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.129392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.129392 (E_RNA) where: Base-Base interactions energy: -1340.803 where: short stacking energy: -552.911 Base-Backbone interact. energy: -1.026 local terms energy: -568.300505 where: bonds (distance) C4'-P energy: -92.371 bonds (distance) P-C4' energy: -114.706 flat angles C4'-P-C4' energy: -118.265 flat angles P-C4'-P energy: -90.395 tors. eta vs tors. theta energy: -152.563 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: 3 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1891.228301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.228301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.228301 (E_RNA) where: Base-Base interactions energy: -1330.266 where: short stacking energy: -552.426 Base-Backbone interact. energy: -1.405 local terms energy: -559.557823 where: bonds (distance) C4'-P energy: -101.375 bonds (distance) P-C4' energy: -100.531 flat angles C4'-P-C4' energy: -119.000 flat angles P-C4'-P energy: -83.563 tors. eta vs tors. theta energy: -155.088 Dist. restrs. and SS energy: 0.000 (S_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: 272 Temperature: 1.000000 Total energy: -1855.649479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.649479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.649479 (E_RNA) where: Base-Base interactions energy: -1311.839 where: short stacking energy: -531.816 Base-Backbone interact. energy: 0.575 local terms energy: -544.385937 where: bonds (distance) C4'-P energy: -99.806 bonds (distance) P-C4' energy: -98.425 flat angles C4'-P-C4' energy: -118.866 flat angles P-C4'-P energy: -78.313 tors. eta vs tors. theta energy: -148.975 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: 1 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1785.700938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.700938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.700938 (E_RNA) where: Base-Base interactions energy: -1256.421 where: short stacking energy: -519.291 Base-Backbone interact. energy: -1.697 local terms energy: -527.583746 where: bonds (distance) C4'-P energy: -102.354 bonds (distance) P-C4' energy: -115.404 flat angles C4'-P-C4' energy: -103.793 flat angles P-C4'-P energy: -64.478 tors. eta vs tors. theta energy: -141.555 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: 5, replica: 5 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1674.500366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.500366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.500366 (E_RNA) where: Base-Base interactions energy: -1162.943 where: short stacking energy: -483.841 Base-Backbone interact. energy: 0.351 local terms energy: -511.908838 where: bonds (distance) C4'-P energy: -88.088 bonds (distance) P-C4' energy: -109.975 flat angles C4'-P-C4' energy: -114.327 flat angles P-C4'-P energy: -74.837 tors. eta vs tors. theta energy: -124.683 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: 6, replica: 4 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1596.746299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.746299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.746299 (E_RNA) where: Base-Base interactions energy: -1104.106 where: short stacking energy: -474.558 Base-Backbone interact. energy: -1.322 local terms energy: -491.317566 where: bonds (distance) C4'-P energy: -87.299 bonds (distance) P-C4' energy: -104.306 flat angles C4'-P-C4' energy: -93.316 flat angles P-C4'-P energy: -73.832 tors. eta vs tors. theta energy: -132.566 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: 7, replica: 9 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1448.229262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.229262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.229262 (E_RNA) where: Base-Base interactions energy: -985.198 where: short stacking energy: -436.794 Base-Backbone interact. energy: 2.331 local terms energy: -465.361729 where: bonds (distance) C4'-P energy: -86.152 bonds (distance) P-C4' energy: -106.063 flat angles C4'-P-C4' energy: -88.692 flat angles P-C4'-P energy: -67.966 tors. eta vs tors. theta energy: -116.489 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: 8, replica: 10 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1272.900975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.900975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.900975 (E_RNA) where: Base-Base interactions energy: -834.488 where: short stacking energy: -358.702 Base-Backbone interact. energy: 2.624 local terms energy: -441.036899 where: bonds (distance) C4'-P energy: -89.503 bonds (distance) P-C4' energy: -105.386 flat angles C4'-P-C4' energy: -102.102 flat angles P-C4'-P energy: -69.020 tors. eta vs tors. theta energy: -75.025 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: 9, replica: 6 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1226.111623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.111623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.111623 (E_RNA) where: Base-Base interactions energy: -796.305 where: short stacking energy: -353.640 Base-Backbone interact. energy: -1.770 local terms energy: -428.037291 where: bonds (distance) C4'-P energy: -78.440 bonds (distance) P-C4' energy: -95.789 flat angles C4'-P-C4' energy: -100.007 flat angles P-C4'-P energy: -67.546 tors. eta vs tors. theta energy: -86.256 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: 10, replica: 7 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -1109.949930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.949930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.949930 (E_RNA) where: Base-Base interactions energy: -733.620 where: short stacking energy: -322.285 Base-Backbone interact. energy: 2.989 local terms energy: -379.319395 where: bonds (distance) C4'-P energy: -83.351 bonds (distance) P-C4' energy: -97.042 flat angles C4'-P-C4' energy: -92.376 flat angles P-C4'-P energy: -40.272 tors. eta vs tors. theta energy: -66.278 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: 1, replica: 8 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1920.923828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.923828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.923828 (E_RNA) where: Base-Base interactions energy: -1335.946 where: short stacking energy: -549.902 Base-Backbone interact. energy: -2.895 local terms energy: -582.082453 where: bonds (distance) C4'-P energy: -98.090 bonds (distance) P-C4' energy: -119.547 flat angles C4'-P-C4' energy: -122.794 flat angles P-C4'-P energy: -86.118 tors. eta vs tors. theta energy: -155.533 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: 2, replica: 2 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1901.346454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.346454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.346454 (E_RNA) where: Base-Base interactions energy: -1342.765 where: short stacking energy: -544.349 Base-Backbone interact. energy: 0.744 local terms energy: -559.324512 where: bonds (distance) C4'-P energy: -93.488 bonds (distance) P-C4' energy: -119.886 flat angles C4'-P-C4' energy: -113.966 flat angles P-C4'-P energy: -74.789 tors. eta vs tors. theta energy: -157.195 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: 3 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1860.882485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.882485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.882485 (E_RNA) where: Base-Base interactions energy: -1301.378 where: short stacking energy: -539.585 Base-Backbone interact. energy: 3.773 local terms energy: -563.277048 where: bonds (distance) C4'-P energy: -95.102 bonds (distance) P-C4' energy: -111.378 flat angles C4'-P-C4' energy: -121.924 flat angles P-C4'-P energy: -81.673 tors. eta vs tors. theta energy: -153.201 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: 1 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1770.863236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.863236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.863236 (E_RNA) where: Base-Base interactions energy: -1245.623 where: short stacking energy: -513.539 Base-Backbone interact. energy: 4.078 local terms energy: -529.318205 where: bonds (distance) C4'-P energy: -96.340 bonds (distance) P-C4' energy: -104.898 flat angles C4'-P-C4' energy: -120.120 flat angles P-C4'-P energy: -68.065 tors. eta vs tors. theta energy: -139.895 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: 5 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1676.741194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.741194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.741194 (E_RNA) where: Base-Base interactions energy: -1180.348 where: short stacking energy: -487.552 Base-Backbone interact. energy: 2.663 local terms energy: -499.056463 where: bonds (distance) C4'-P energy: -95.392 bonds (distance) P-C4' energy: -109.960 flat angles C4'-P-C4' energy: -97.810 flat angles P-C4'-P energy: -66.730 tors. eta vs tors. theta energy: -129.164 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: 4 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1615.275295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.275295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.275295 (E_RNA) where: Base-Base interactions energy: -1100.667 where: short stacking energy: -469.856 Base-Backbone interact. energy: 0.948 local terms energy: -515.555909 where: bonds (distance) C4'-P energy: -83.075 bonds (distance) P-C4' energy: -123.442 flat angles C4'-P-C4' energy: -104.610 flat angles P-C4'-P energy: -76.373 tors. eta vs tors. theta energy: -128.056 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: 7, replica: 9 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1427.823495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.823495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.823495 (E_RNA) where: Base-Base interactions energy: -968.504 where: short stacking energy: -406.696 Base-Backbone interact. energy: 2.933 local terms energy: -462.251929 where: bonds (distance) C4'-P energy: -92.649 bonds (distance) P-C4' energy: -100.766 flat angles C4'-P-C4' energy: -102.288 flat angles P-C4'-P energy: -62.446 tors. eta vs tors. theta energy: -104.103 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: 6 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1262.362649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.362649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.362649 (E_RNA) where: Base-Base interactions energy: -843.226 where: short stacking energy: -373.749 Base-Backbone interact. energy: 3.047 local terms energy: -422.182845 where: bonds (distance) C4'-P energy: -87.124 bonds (distance) P-C4' energy: -90.450 flat angles C4'-P-C4' energy: -102.981 flat angles P-C4'-P energy: -58.009 tors. eta vs tors. theta energy: -83.619 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: 9, replica: 10 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1250.901371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.901371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.901371 (E_RNA) where: Base-Base interactions energy: -818.192 where: short stacking energy: -355.270 Base-Backbone interact. energy: 4.003 local terms energy: -436.712281 where: bonds (distance) C4'-P energy: -96.367 bonds (distance) P-C4' energy: -107.553 flat angles C4'-P-C4' energy: -100.268 flat angles P-C4'-P energy: -49.081 tors. eta vs tors. theta energy: -83.444 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: 10, replica: 7 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -1105.682337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.682337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.682337 (E_RNA) where: Base-Base interactions energy: -713.186 where: short stacking energy: -310.696 Base-Backbone interact. energy: 1.696 local terms energy: -394.192760 where: bonds (distance) C4'-P energy: -84.751 bonds (distance) P-C4' energy: -97.867 flat angles C4'-P-C4' energy: -96.577 flat angles P-C4'-P energy: -56.156 tors. eta vs tors. theta energy: -58.841 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: 1, replica: 2 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1931.001441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.001441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.001441 (E_RNA) where: Base-Base interactions energy: -1353.983 where: short stacking energy: -554.018 Base-Backbone interact. energy: 1.394 local terms energy: -578.411988 where: bonds (distance) C4'-P energy: -93.832 bonds (distance) P-C4' energy: -121.314 flat angles C4'-P-C4' energy: -119.107 flat angles P-C4'-P energy: -88.302 tors. eta vs tors. theta energy: -155.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1897.232168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.232168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.232168 (E_RNA) where: Base-Base interactions energy: -1329.853 where: short stacking energy: -546.232 Base-Backbone interact. energy: -1.685 local terms energy: -565.694178 where: bonds (distance) C4'-P energy: -99.015 bonds (distance) P-C4' energy: -117.093 flat angles C4'-P-C4' energy: -114.305 flat angles P-C4'-P energy: -80.177 tors. eta vs tors. theta energy: -155.103 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: 3 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1848.941418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.941418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.941418 (E_RNA) where: Base-Base interactions energy: -1296.752 where: short stacking energy: -525.950 Base-Backbone interact. energy: 0.773 local terms energy: -552.961828 where: bonds (distance) C4'-P energy: -96.782 bonds (distance) P-C4' energy: -115.366 flat angles C4'-P-C4' energy: -111.004 flat angles P-C4'-P energy: -73.932 tors. eta vs tors. theta energy: -155.878 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: 1 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1803.010942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.010942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.010942 (E_RNA) where: Base-Base interactions energy: -1250.913 where: short stacking energy: -513.038 Base-Backbone interact. energy: 0.078 local terms energy: -552.175944 where: bonds (distance) C4'-P energy: -103.091 bonds (distance) P-C4' energy: -111.659 flat angles C4'-P-C4' energy: -113.244 flat angles P-C4'-P energy: -83.195 tors. eta vs tors. theta energy: -140.987 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: 5 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1681.969244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.969244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.969244 (E_RNA) where: Base-Base interactions energy: -1172.186 where: short stacking energy: -475.165 Base-Backbone interact. energy: 2.938 local terms energy: -512.721402 where: bonds (distance) C4'-P energy: -88.283 bonds (distance) P-C4' energy: -116.979 flat angles C4'-P-C4' energy: -110.988 flat angles P-C4'-P energy: -73.943 tors. eta vs tors. theta energy: -122.528 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: 274 Temperature: 1.150000 Total energy: -1602.670170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.670170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.670170 (E_RNA) where: Base-Base interactions energy: -1106.440 where: short stacking energy: -459.405 Base-Backbone interact. energy: 2.115 local terms energy: -498.345180 where: bonds (distance) C4'-P energy: -95.901 bonds (distance) P-C4' energy: -99.308 flat angles C4'-P-C4' energy: -111.340 flat angles P-C4'-P energy: -76.070 tors. eta vs tors. theta energy: -115.727 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: 7, replica: 9 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1412.574941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.574941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.574941 (E_RNA) where: Base-Base interactions energy: -945.527 where: short stacking energy: -394.477 Base-Backbone interact. energy: -1.263 local terms energy: -465.784719 where: bonds (distance) C4'-P energy: -95.696 bonds (distance) P-C4' energy: -104.281 flat angles C4'-P-C4' energy: -109.509 flat angles P-C4'-P energy: -60.865 tors. eta vs tors. theta energy: -95.433 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: 274 Temperature: 1.250000 Total energy: -1253.856869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.856869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.856869 (E_RNA) where: Base-Base interactions energy: -812.769 where: short stacking energy: -363.464 Base-Backbone interact. energy: -1.688 local terms energy: -439.399276 where: bonds (distance) C4'-P energy: -88.782 bonds (distance) P-C4' energy: -113.669 flat angles C4'-P-C4' energy: -98.476 flat angles P-C4'-P energy: -63.304 tors. eta vs tors. theta energy: -75.168 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: 9, replica: 10 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1262.667290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.667290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.667290 (E_RNA) where: Base-Base interactions energy: -824.704 where: short stacking energy: -358.958 Base-Backbone interact. energy: 8.803 local terms energy: -446.766172 where: bonds (distance) C4'-P energy: -92.927 bonds (distance) P-C4' energy: -104.416 flat angles C4'-P-C4' energy: -99.920 flat angles P-C4'-P energy: -54.134 tors. eta vs tors. theta energy: -95.369 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: 7 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -1135.407788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.407788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.407788 (E_RNA) where: Base-Base interactions energy: -707.791 where: short stacking energy: -329.025 Base-Backbone interact. energy: -1.153 local terms energy: -426.463899 where: bonds (distance) C4'-P energy: -92.010 bonds (distance) P-C4' energy: -101.252 flat angles C4'-P-C4' energy: -93.164 flat angles P-C4'-P energy: -68.890 tors. eta vs tors. theta energy: -71.148 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: 2 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1941.057590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.057590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.057590 (E_RNA) where: Base-Base interactions energy: -1367.403 where: short stacking energy: -566.014 Base-Backbone interact. energy: -0.743 local terms energy: -572.911434 where: bonds (distance) C4'-P energy: -98.835 bonds (distance) P-C4' energy: -115.877 flat angles C4'-P-C4' energy: -117.876 flat angles P-C4'-P energy: -86.264 tors. eta vs tors. theta energy: -154.060 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: 3 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1892.947818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.947818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.947818 (E_RNA) where: Base-Base interactions energy: -1328.989 where: short stacking energy: -567.668 Base-Backbone interact. energy: -1.189 local terms energy: -562.770143 where: bonds (distance) C4'-P energy: -98.476 bonds (distance) P-C4' energy: -101.712 flat angles C4'-P-C4' energy: -112.452 flat angles P-C4'-P energy: -85.626 tors. eta vs tors. theta energy: -164.505 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: 3, replica: 8 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1873.145837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.145837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.145837 (E_RNA) where: Base-Base interactions energy: -1316.549 where: short stacking energy: -536.796 Base-Backbone interact. energy: -1.130 local terms energy: -555.467308 where: bonds (distance) C4'-P energy: -97.786 bonds (distance) P-C4' energy: -104.535 flat angles C4'-P-C4' energy: -116.165 flat angles P-C4'-P energy: -78.911 tors. eta vs tors. theta energy: -158.071 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: 1 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1814.671944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.671944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.671944 (E_RNA) where: Base-Base interactions energy: -1273.509 where: short stacking energy: -530.486 Base-Backbone interact. energy: 0.876 local terms energy: -542.039527 where: bonds (distance) C4'-P energy: -83.082 bonds (distance) P-C4' energy: -111.192 flat angles C4'-P-C4' energy: -118.477 flat angles P-C4'-P energy: -80.713 tors. eta vs tors. theta energy: -148.576 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: 5, replica: 5 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1654.317316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.317316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.317316 (E_RNA) where: Base-Base interactions energy: -1158.092 where: short stacking energy: -477.943 Base-Backbone interact. energy: 0.041 local terms energy: -496.266535 where: bonds (distance) C4'-P energy: -83.354 bonds (distance) P-C4' energy: -106.695 flat angles C4'-P-C4' energy: -113.743 flat angles P-C4'-P energy: -73.905 tors. eta vs tors. theta energy: -118.569 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: 6, replica: 4 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1585.825949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.825949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.825949 (E_RNA) where: Base-Base interactions energy: -1103.708 where: short stacking energy: -466.700 Base-Backbone interact. energy: 2.490 local terms energy: -484.608313 where: bonds (distance) C4'-P energy: -88.415 bonds (distance) P-C4' energy: -103.661 flat angles C4'-P-C4' energy: -107.922 flat angles P-C4'-P energy: -63.701 tors. eta vs tors. theta energy: -120.910 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: 7, replica: 9 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1478.028605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.028605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.028605 (E_RNA) where: Base-Base interactions energy: -1010.791 where: short stacking energy: -423.229 Base-Backbone interact. energy: 0.504 local terms energy: -467.741412 where: bonds (distance) C4'-P energy: -96.113 bonds (distance) P-C4' energy: -90.350 flat angles C4'-P-C4' energy: -104.836 flat angles P-C4'-P energy: -60.583 tors. eta vs tors. theta energy: -115.858 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: 6 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1249.874302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.874302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.874302 (E_RNA) where: Base-Base interactions energy: -820.833 where: short stacking energy: -368.023 Base-Backbone interact. energy: -0.768 local terms energy: -428.272968 where: bonds (distance) C4'-P energy: -104.840 bonds (distance) P-C4' energy: -89.376 flat angles C4'-P-C4' energy: -86.698 flat angles P-C4'-P energy: -71.440 tors. eta vs tors. theta energy: -75.920 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: 9, replica: 10 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1258.457185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.457185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.457185 (E_RNA) where: Base-Base interactions energy: -830.915 where: short stacking energy: -349.822 Base-Backbone interact. energy: 0.573 local terms energy: -428.114627 where: bonds (distance) C4'-P energy: -80.301 bonds (distance) P-C4' energy: -106.512 flat angles C4'-P-C4' energy: -90.926 flat angles P-C4'-P energy: -72.265 tors. eta vs tors. theta energy: -78.110 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: 10, replica: 7 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -1128.323392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.323392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.323392 (E_RNA) where: Base-Base interactions energy: -720.136 where: short stacking energy: -326.233 Base-Backbone interact. energy: -0.542 local terms energy: -407.645392 where: bonds (distance) C4'-P energy: -92.908 bonds (distance) P-C4' energy: -95.494 flat angles C4'-P-C4' energy: -96.066 flat angles P-C4'-P energy: -55.303 tors. eta vs tors. theta energy: -67.874 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: 1, replica: 3 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1898.888175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.888175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.888175 (E_RNA) where: Base-Base interactions energy: -1310.239 where: short stacking energy: -534.792 Base-Backbone interact. energy: -1.701 local terms energy: -586.948113 where: bonds (distance) C4'-P energy: -110.709 bonds (distance) P-C4' energy: -113.165 flat angles C4'-P-C4' energy: -122.755 flat angles P-C4'-P energy: -81.897 tors. eta vs tors. theta energy: -158.422 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: 2 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1890.984780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.984780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.984780 (E_RNA) where: Base-Base interactions energy: -1323.304 where: short stacking energy: -524.514 Base-Backbone interact. energy: -0.006 local terms energy: -567.674431 where: bonds (distance) C4'-P energy: -99.085 bonds (distance) P-C4' energy: -109.908 flat angles C4'-P-C4' energy: -121.981 flat angles P-C4'-P energy: -82.206 tors. eta vs tors. theta energy: -154.495 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: 3, replica: 8 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1851.000229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.000229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.000229 (E_RNA) where: Base-Base interactions energy: -1305.448 where: short stacking energy: -542.086 Base-Backbone interact. energy: -2.529 local terms energy: -543.023485 where: bonds (distance) C4'-P energy: -98.945 bonds (distance) P-C4' energy: -109.357 flat angles C4'-P-C4' energy: -106.734 flat angles P-C4'-P energy: -80.646 tors. eta vs tors. theta energy: -147.342 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: 1 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1778.807463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.807463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.807463 (E_RNA) where: Base-Base interactions energy: -1248.287 where: short stacking energy: -490.881 Base-Backbone interact. energy: 4.330 local terms energy: -534.849944 where: bonds (distance) C4'-P energy: -101.915 bonds (distance) P-C4' energy: -107.184 flat angles C4'-P-C4' energy: -107.696 flat angles P-C4'-P energy: -78.528 tors. eta vs tors. theta energy: -139.526 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: 5, replica: 5 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1676.323486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.323486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.323486 (E_RNA) where: Base-Base interactions energy: -1162.558 where: short stacking energy: -493.779 Base-Backbone interact. energy: -1.402 local terms energy: -512.363488 where: bonds (distance) C4'-P energy: -87.733 bonds (distance) P-C4' energy: -119.409 flat angles C4'-P-C4' energy: -111.642 flat angles P-C4'-P energy: -62.289 tors. eta vs tors. theta energy: -131.290 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: 4 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1597.294856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.294856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.294856 (E_RNA) where: Base-Base interactions energy: -1101.010 where: short stacking energy: -451.882 Base-Backbone interact. energy: 0.415 local terms energy: -496.699180 where: bonds (distance) C4'-P energy: -95.436 bonds (distance) P-C4' energy: -101.942 flat angles C4'-P-C4' energy: -108.120 flat angles P-C4'-P energy: -69.749 tors. eta vs tors. theta energy: -121.452 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: 9 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1479.450166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.450166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.450166 (E_RNA) where: Base-Base interactions energy: -1018.547 where: short stacking energy: -409.157 Base-Backbone interact. energy: 0.434 local terms energy: -461.336898 where: bonds (distance) C4'-P energy: -92.155 bonds (distance) P-C4' energy: -107.687 flat angles C4'-P-C4' energy: -100.590 flat angles P-C4'-P energy: -65.738 tors. eta vs tors. theta energy: -95.166 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: 8, replica: 6 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1304.498700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.498700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.498700 (E_RNA) where: Base-Base interactions energy: -864.329 where: short stacking energy: -388.499 Base-Backbone interact. energy: -1.857 local terms energy: -438.313058 where: bonds (distance) C4'-P energy: -74.779 bonds (distance) P-C4' energy: -100.939 flat angles C4'-P-C4' energy: -99.765 flat angles P-C4'-P energy: -65.766 tors. eta vs tors. theta energy: -97.065 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: 9, replica: 10 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1267.416014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.416014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.416014 (E_RNA) where: Base-Base interactions energy: -861.421 where: short stacking energy: -376.008 Base-Backbone interact. energy: 12.837 local terms energy: -418.831702 where: bonds (distance) C4'-P energy: -82.976 bonds (distance) P-C4' energy: -99.920 flat angles C4'-P-C4' energy: -95.488 flat angles P-C4'-P energy: -58.270 tors. eta vs tors. theta energy: -82.177 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: 7 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -1090.483378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.483378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.483378 (E_RNA) where: Base-Base interactions energy: -700.588 where: short stacking energy: -312.004 Base-Backbone interact. energy: 0.105 local terms energy: -390.000340 where: bonds (distance) C4'-P energy: -90.124 bonds (distance) P-C4' energy: -94.497 flat angles C4'-P-C4' energy: -95.163 flat angles P-C4'-P energy: -41.507 tors. eta vs tors. theta energy: -68.709 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: 1, replica: 3 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1913.724280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.724280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.724280 (E_RNA) where: Base-Base interactions energy: -1324.134 where: short stacking energy: -555.881 Base-Backbone interact. energy: -2.409 local terms energy: -587.181180 where: bonds (distance) C4'-P energy: -98.082 bonds (distance) P-C4' energy: -123.458 flat angles C4'-P-C4' energy: -121.785 flat angles P-C4'-P energy: -80.907 tors. eta vs tors. theta energy: -162.949 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: 2, replica: 2 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1881.773009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.773009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.773009 (E_RNA) where: Base-Base interactions energy: -1314.776 where: short stacking energy: -539.111 Base-Backbone interact. energy: -1.178 local terms energy: -565.818575 where: bonds (distance) C4'-P energy: -102.436 bonds (distance) P-C4' energy: -104.601 flat angles C4'-P-C4' energy: -116.584 flat angles P-C4'-P energy: -87.681 tors. eta vs tors. theta energy: -154.517 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: 3, replica: 8 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1863.296667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.296667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.296667 (E_RNA) where: Base-Base interactions energy: -1302.552 where: short stacking energy: -536.925 Base-Backbone interact. energy: -2.106 local terms energy: -558.638319 where: bonds (distance) C4'-P energy: -93.803 bonds (distance) P-C4' energy: -115.503 flat angles C4'-P-C4' energy: -113.555 flat angles P-C4'-P energy: -77.778 tors. eta vs tors. theta energy: -157.998 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: 4, replica: 1 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1751.901999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.901999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.901999 (E_RNA) where: Base-Base interactions energy: -1228.089 where: short stacking energy: -522.331 Base-Backbone interact. energy: -1.154 local terms energy: -522.659541 where: bonds (distance) C4'-P energy: -96.574 bonds (distance) P-C4' energy: -97.644 flat angles C4'-P-C4' energy: -109.994 flat angles P-C4'-P energy: -83.280 tors. eta vs tors. theta energy: -135.168 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: 5 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1668.959867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.959867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.959867 (E_RNA) where: Base-Base interactions energy: -1184.502 where: short stacking energy: -466.979 Base-Backbone interact. energy: 5.198 local terms energy: -489.655361 where: bonds (distance) C4'-P energy: -94.093 bonds (distance) P-C4' energy: -93.655 flat angles C4'-P-C4' energy: -105.742 flat angles P-C4'-P energy: -71.454 tors. eta vs tors. theta energy: -124.712 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: 9 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1537.682448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.682448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.682448 (E_RNA) where: Base-Base interactions energy: -1060.835 where: short stacking energy: -436.277 Base-Backbone interact. energy: -1.668 local terms energy: -475.179920 where: bonds (distance) C4'-P energy: -88.885 bonds (distance) P-C4' energy: -115.738 flat angles C4'-P-C4' energy: -103.368 flat angles P-C4'-P energy: -64.946 tors. eta vs tors. theta energy: -102.243 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: 7, replica: 4 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1569.549645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.549645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.549645 (E_RNA) where: Base-Base interactions energy: -1099.545 where: short stacking energy: -447.657 Base-Backbone interact. energy: 2.971 local terms energy: -472.976177 where: bonds (distance) C4'-P energy: -85.999 bonds (distance) P-C4' energy: -99.459 flat angles C4'-P-C4' energy: -98.888 flat angles P-C4'-P energy: -72.153 tors. eta vs tors. theta energy: -116.477 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: 6 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1299.024375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.024375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.024375 (E_RNA) where: Base-Base interactions energy: -861.038 where: short stacking energy: -367.785 Base-Backbone interact. energy: 2.135 local terms energy: -440.121891 where: bonds (distance) C4'-P energy: -99.408 bonds (distance) P-C4' energy: -94.333 flat angles C4'-P-C4' energy: -95.340 flat angles P-C4'-P energy: -66.732 tors. eta vs tors. theta energy: -84.309 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: 277 Temperature: 1.300000 Total energy: -1261.023525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.023525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.023525 (E_RNA) where: Base-Base interactions energy: -840.671 where: short stacking energy: -347.894 Base-Backbone interact. energy: 2.880 local terms energy: -423.232351 where: bonds (distance) C4'-P energy: -85.593 bonds (distance) P-C4' energy: -92.264 flat angles C4'-P-C4' energy: -96.312 flat angles P-C4'-P energy: -65.364 tors. eta vs tors. theta energy: -83.699 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: 10, replica: 7 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -1085.634340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.634340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.634340 (E_RNA) where: Base-Base interactions energy: -695.694 where: short stacking energy: -314.933 Base-Backbone interact. energy: 0.064 local terms energy: -390.004061 where: bonds (distance) C4'-P energy: -76.432 bonds (distance) P-C4' energy: -111.314 flat angles C4'-P-C4' energy: -86.332 flat angles P-C4'-P energy: -56.405 tors. eta vs tors. theta energy: -59.520 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: 2 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1905.941152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.941152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.941152 (E_RNA) where: Base-Base interactions energy: -1342.889 where: short stacking energy: -550.224 Base-Backbone interact. energy: 2.168 local terms energy: -565.220786 where: bonds (distance) C4'-P energy: -100.054 bonds (distance) P-C4' energy: -112.790 flat angles C4'-P-C4' energy: -120.717 flat angles P-C4'-P energy: -81.440 tors. eta vs tors. theta energy: -150.220 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: 2, replica: 3 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1879.913325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.913325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.913325 (E_RNA) where: Base-Base interactions energy: -1308.521 where: short stacking energy: -542.709 Base-Backbone interact. energy: -0.988 local terms energy: -570.404216 where: bonds (distance) C4'-P energy: -97.390 bonds (distance) P-C4' energy: -111.099 flat angles C4'-P-C4' energy: -124.920 flat angles P-C4'-P energy: -81.658 tors. eta vs tors. theta energy: -155.337 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: 3, replica: 8 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1856.415316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.415316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.415316 (E_RNA) where: Base-Base interactions energy: -1305.597 where: short stacking energy: -542.098 Base-Backbone interact. energy: -5.095 local terms energy: -545.723593 where: bonds (distance) C4'-P energy: -92.477 bonds (distance) P-C4' energy: -103.787 flat angles C4'-P-C4' energy: -116.870 flat angles P-C4'-P energy: -76.230 tors. eta vs tors. theta energy: -156.360 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: 4, replica: 1 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1811.376147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.376147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.376147 (E_RNA) where: Base-Base interactions energy: -1266.184 where: short stacking energy: -520.704 Base-Backbone interact. energy: -0.755 local terms energy: -544.437119 where: bonds (distance) C4'-P energy: -94.181 bonds (distance) P-C4' energy: -115.828 flat angles C4'-P-C4' energy: -108.353 flat angles P-C4'-P energy: -81.501 tors. eta vs tors. theta energy: -144.575 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: 278 Temperature: 1.100000 Total energy: -1674.971090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.971090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.971090 (E_RNA) where: Base-Base interactions energy: -1164.690 where: short stacking energy: -492.365 Base-Backbone interact. energy: -2.267 local terms energy: -508.014072 where: bonds (distance) C4'-P energy: -87.680 bonds (distance) P-C4' energy: -106.649 flat angles C4'-P-C4' energy: -105.946 flat angles P-C4'-P energy: -76.451 tors. eta vs tors. theta energy: -131.288 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: 6, replica: 9 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1512.762996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.762996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.762996 (E_RNA) where: Base-Base interactions energy: -1033.996 where: short stacking energy: -423.430 Base-Backbone interact. energy: 0.713 local terms energy: -479.480187 where: bonds (distance) C4'-P energy: -87.754 bonds (distance) P-C4' energy: -100.803 flat angles C4'-P-C4' energy: -115.763 flat angles P-C4'-P energy: -70.760 tors. eta vs tors. theta energy: -104.401 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: 4 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1561.873934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.873934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.873934 (E_RNA) where: Base-Base interactions energy: -1060.375 where: short stacking energy: -447.940 Base-Backbone interact. energy: -2.241 local terms energy: -499.257735 where: bonds (distance) C4'-P energy: -81.242 bonds (distance) P-C4' energy: -105.696 flat angles C4'-P-C4' energy: -108.618 flat angles P-C4'-P energy: -73.806 tors. eta vs tors. theta energy: -129.895 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: 6 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1306.796585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.796585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.796585 (E_RNA) where: Base-Base interactions energy: -868.619 where: short stacking energy: -407.391 Base-Backbone interact. energy: 3.355 local terms energy: -441.532339 where: bonds (distance) C4'-P energy: -86.420 bonds (distance) P-C4' energy: -95.913 flat angles C4'-P-C4' energy: -105.859 flat angles P-C4'-P energy: -60.051 tors. eta vs tors. theta energy: -93.289 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: 9, replica: 10 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1322.119041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.119041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.119041 (E_RNA) where: Base-Base interactions energy: -920.009 where: short stacking energy: -376.933 Base-Backbone interact. energy: 3.857 local terms energy: -405.966941 where: bonds (distance) C4'-P energy: -84.216 bonds (distance) P-C4' energy: -79.294 flat angles C4'-P-C4' energy: -100.574 flat angles P-C4'-P energy: -55.138 tors. eta vs tors. theta energy: -86.745 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: 10, replica: 7 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -1106.790215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.790215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.790215 (E_RNA) where: Base-Base interactions energy: -732.491 where: short stacking energy: -340.557 Base-Backbone interact. energy: 7.211 local terms energy: -381.509751 where: bonds (distance) C4'-P energy: -80.429 bonds (distance) P-C4' energy: -94.051 flat angles C4'-P-C4' energy: -90.716 flat angles P-C4'-P energy: -51.589 tors. eta vs tors. theta energy: -64.725 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: 1, replica: 2 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1916.916866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.916866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.916866 (E_RNA) where: Base-Base interactions energy: -1334.073 where: short stacking energy: -545.716 Base-Backbone interact. energy: -0.368 local terms energy: -582.476723 where: bonds (distance) C4'-P energy: -111.005 bonds (distance) P-C4' energy: -114.257 flat angles C4'-P-C4' energy: -113.698 flat angles P-C4'-P energy: -88.034 tors. eta vs tors. theta energy: -155.483 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: 2, replica: 8 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1879.749278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.749278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.749278 (E_RNA) where: Base-Base interactions energy: -1311.065 where: short stacking energy: -558.604 Base-Backbone interact. energy: 3.079 local terms energy: -571.762953 where: bonds (distance) C4'-P energy: -110.551 bonds (distance) P-C4' energy: -101.601 flat angles C4'-P-C4' energy: -116.826 flat angles P-C4'-P energy: -83.019 tors. eta vs tors. theta energy: -159.766 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: 3, replica: 3 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1833.552522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.552522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.552522 (E_RNA) where: Base-Base interactions energy: -1278.543 where: short stacking energy: -525.640 Base-Backbone interact. energy: 2.041 local terms energy: -557.050579 where: bonds (distance) C4'-P energy: -90.326 bonds (distance) P-C4' energy: -110.415 flat angles C4'-P-C4' energy: -125.199 flat angles P-C4'-P energy: -80.940 tors. eta vs tors. theta energy: -150.171 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: 4, replica: 1 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1773.435164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.435164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.435164 (E_RNA) where: Base-Base interactions energy: -1235.597 where: short stacking energy: -509.897 Base-Backbone interact. energy: -2.038 local terms energy: -535.800486 where: bonds (distance) C4'-P energy: -98.815 bonds (distance) P-C4' energy: -103.595 flat angles C4'-P-C4' energy: -110.428 flat angles P-C4'-P energy: -79.488 tors. eta vs tors. theta energy: -143.475 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: 5, replica: 5 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1648.489793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.489793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.489793 (E_RNA) where: Base-Base interactions energy: -1152.231 where: short stacking energy: -461.824 Base-Backbone interact. energy: -2.472 local terms energy: -493.787358 where: bonds (distance) C4'-P energy: -88.109 bonds (distance) P-C4' energy: -113.555 flat angles C4'-P-C4' energy: -103.874 flat angles P-C4'-P energy: -64.005 tors. eta vs tors. theta energy: -124.245 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: 6, replica: 4 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1642.766795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.766795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.766795 (E_RNA) where: Base-Base interactions energy: -1125.901 where: short stacking energy: -470.093 Base-Backbone interact. energy: -1.239 local terms energy: -515.626442 where: bonds (distance) C4'-P energy: -93.565 bonds (distance) P-C4' energy: -102.722 flat angles C4'-P-C4' energy: -109.578 flat angles P-C4'-P energy: -79.657 tors. eta vs tors. theta energy: -130.105 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: 9 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1517.229255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.229255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.229255 (E_RNA) where: Base-Base interactions energy: -1061.520 where: short stacking energy: -448.154 Base-Backbone interact. energy: -1.349 local terms energy: -454.360506 where: bonds (distance) C4'-P energy: -82.777 bonds (distance) P-C4' energy: -92.183 flat angles C4'-P-C4' energy: -100.610 flat angles P-C4'-P energy: -70.742 tors. eta vs tors. theta energy: -108.050 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: 8, replica: 10 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1331.938533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.938533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.938533 (E_RNA) where: Base-Base interactions energy: -884.891 where: short stacking energy: -370.163 Base-Backbone interact. energy: 1.612 local terms energy: -448.659540 where: bonds (distance) C4'-P energy: -86.583 bonds (distance) P-C4' energy: -109.954 flat angles C4'-P-C4' energy: -101.155 flat angles P-C4'-P energy: -63.139 tors. eta vs tors. theta energy: -87.828 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: 279 Temperature: 1.300000 Total energy: -1266.736090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.736090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.736090 (E_RNA) where: Base-Base interactions energy: -835.527 where: short stacking energy: -357.077 Base-Backbone interact. energy: -0.144 local terms energy: -431.065730 where: bonds (distance) C4'-P energy: -80.230 bonds (distance) P-C4' energy: -111.958 flat angles C4'-P-C4' energy: -107.177 flat angles P-C4'-P energy: -61.917 tors. eta vs tors. theta energy: -69.783 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: 7 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -1108.495572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.495572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.495572 (E_RNA) where: Base-Base interactions energy: -717.233 where: short stacking energy: -316.373 Base-Backbone interact. energy: -0.876 local terms energy: -390.386597 where: bonds (distance) C4'-P energy: -80.486 bonds (distance) P-C4' energy: -98.152 flat angles C4'-P-C4' energy: -85.710 flat angles P-C4'-P energy: -68.395 tors. eta vs tors. theta energy: -57.644 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: 2 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1923.056464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.056464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.056464 (E_RNA) where: Base-Base interactions energy: -1329.393 where: short stacking energy: -549.422 Base-Backbone interact. energy: -3.152 local terms energy: -590.511325 where: bonds (distance) C4'-P energy: -107.344 bonds (distance) P-C4' energy: -120.077 flat angles C4'-P-C4' energy: -121.974 flat angles P-C4'-P energy: -82.024 tors. eta vs tors. theta energy: -159.093 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: 2, replica: 8 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1909.089117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.089117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.089117 (E_RNA) where: Base-Base interactions energy: -1332.611 where: short stacking energy: -550.250 Base-Backbone interact. energy: -0.437 local terms energy: -576.040944 where: bonds (distance) C4'-P energy: -108.692 bonds (distance) P-C4' energy: -112.386 flat angles C4'-P-C4' energy: -118.392 flat angles P-C4'-P energy: -77.868 tors. eta vs tors. theta energy: -158.703 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: 3 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1838.240298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.240298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.240298 (E_RNA) where: Base-Base interactions energy: -1295.474 where: short stacking energy: -522.189 Base-Backbone interact. energy: -0.273 local terms energy: -542.493159 where: bonds (distance) C4'-P energy: -100.025 bonds (distance) P-C4' energy: -91.789 flat angles C4'-P-C4' energy: -120.796 flat angles P-C4'-P energy: -76.660 tors. eta vs tors. theta energy: -153.223 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: 1 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1777.650468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.650468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.650468 (E_RNA) where: Base-Base interactions energy: -1257.176 where: short stacking energy: -507.139 Base-Backbone interact. energy: 3.300 local terms energy: -523.774806 where: bonds (distance) C4'-P energy: -95.024 bonds (distance) P-C4' energy: -109.213 flat angles C4'-P-C4' energy: -113.004 flat angles P-C4'-P energy: -72.240 tors. eta vs tors. theta energy: -134.294 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: 280 Temperature: 1.100000 Total energy: -1643.267235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.267235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.267235 (E_RNA) where: Base-Base interactions energy: -1132.212 where: short stacking energy: -484.907 Base-Backbone interact. energy: 0.890 local terms energy: -511.945604 where: bonds (distance) C4'-P energy: -88.680 bonds (distance) P-C4' energy: -109.074 flat angles C4'-P-C4' energy: -104.453 flat angles P-C4'-P energy: -76.298 tors. eta vs tors. theta energy: -133.442 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: 6, replica: 5 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1644.679481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.679481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.679481 (E_RNA) where: Base-Base interactions energy: -1135.254 where: short stacking energy: -476.046 Base-Backbone interact. energy: 1.632 local terms energy: -511.057018 where: bonds (distance) C4'-P energy: -101.586 bonds (distance) P-C4' energy: -103.772 flat angles C4'-P-C4' energy: -107.556 flat angles P-C4'-P energy: -64.834 tors. eta vs tors. theta energy: -133.308 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: 9 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1484.836491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.836491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.836491 (E_RNA) where: Base-Base interactions energy: -1024.475 where: short stacking energy: -421.761 Base-Backbone interact. energy: 0.958 local terms energy: -461.319311 where: bonds (distance) C4'-P energy: -94.094 bonds (distance) P-C4' energy: -97.866 flat angles C4'-P-C4' energy: -101.894 flat angles P-C4'-P energy: -64.974 tors. eta vs tors. theta energy: -102.492 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: 8, replica: 10 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1358.092967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.092967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.092967 (E_RNA) where: Base-Base interactions energy: -923.203 where: short stacking energy: -419.862 Base-Backbone interact. energy: 4.039 local terms energy: -438.929274 where: bonds (distance) C4'-P energy: -76.937 bonds (distance) P-C4' energy: -102.777 flat angles C4'-P-C4' energy: -100.738 flat angles P-C4'-P energy: -54.973 tors. eta vs tors. theta energy: -103.505 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: 9, replica: 6 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1265.844953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.844953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.844953 (E_RNA) where: Base-Base interactions energy: -852.582 where: short stacking energy: -372.221 Base-Backbone interact. energy: 4.094 local terms energy: -417.356748 where: bonds (distance) C4'-P energy: -87.403 bonds (distance) P-C4' energy: -97.654 flat angles C4'-P-C4' energy: -102.081 flat angles P-C4'-P energy: -55.528 tors. eta vs tors. theta energy: -74.691 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: 10, replica: 7 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -1103.113367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.113367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.113367 (E_RNA) where: Base-Base interactions energy: -692.233 where: short stacking energy: -296.104 Base-Backbone interact. energy: -0.432 local terms energy: -410.449032 where: bonds (distance) C4'-P energy: -90.764 bonds (distance) P-C4' energy: -102.299 flat angles C4'-P-C4' energy: -88.962 flat angles P-C4'-P energy: -60.157 tors. eta vs tors. theta energy: -68.266 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: 2 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1915.853918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.853918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.853918 (E_RNA) where: Base-Base interactions energy: -1339.791 where: short stacking energy: -550.213 Base-Backbone interact. energy: 2.252 local terms energy: -578.315140 where: bonds (distance) C4'-P energy: -111.143 bonds (distance) P-C4' energy: -111.776 flat angles C4'-P-C4' energy: -117.965 flat angles P-C4'-P energy: -78.209 tors. eta vs tors. theta energy: -159.223 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: 2, replica: 8 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1896.936696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.936696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.936696 (E_RNA) where: Base-Base interactions energy: -1314.734 where: short stacking energy: -556.562 Base-Backbone interact. energy: -0.242 local terms energy: -581.961465 where: bonds (distance) C4'-P energy: -95.493 bonds (distance) P-C4' energy: -118.878 flat angles C4'-P-C4' energy: -124.559 flat angles P-C4'-P energy: -80.560 tors. eta vs tors. theta energy: -162.472 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: 3, replica: 3 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1859.010049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.010049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.010049 (E_RNA) where: Base-Base interactions energy: -1301.360 where: short stacking energy: -539.972 Base-Backbone interact. energy: -0.184 local terms energy: -557.465748 where: bonds (distance) C4'-P energy: -95.003 bonds (distance) P-C4' energy: -103.923 flat angles C4'-P-C4' energy: -116.370 flat angles P-C4'-P energy: -86.832 tors. eta vs tors. theta energy: -155.338 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: 4, replica: 1 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1764.894558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.894558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.894558 (E_RNA) where: Base-Base interactions energy: -1252.633 where: short stacking energy: -507.457 Base-Backbone interact. energy: 6.358 local terms energy: -518.619526 where: bonds (distance) C4'-P energy: -88.619 bonds (distance) P-C4' energy: -99.426 flat angles C4'-P-C4' energy: -111.609 flat angles P-C4'-P energy: -75.365 tors. eta vs tors. theta energy: -143.600 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: 5, replica: 4 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1655.785123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.785123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.785123 (E_RNA) where: Base-Base interactions energy: -1151.373 where: short stacking energy: -500.527 Base-Backbone interact. energy: -1.422 local terms energy: -502.989415 where: bonds (distance) C4'-P energy: -97.511 bonds (distance) P-C4' energy: -96.301 flat angles C4'-P-C4' energy: -114.576 flat angles P-C4'-P energy: -62.751 tors. eta vs tors. theta energy: -131.850 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: 6, replica: 5 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1611.583012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.583012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.583012 (E_RNA) where: Base-Base interactions energy: -1155.859 where: short stacking energy: -465.580 Base-Backbone interact. energy: 0.896 local terms energy: -456.620082 where: bonds (distance) C4'-P energy: -82.997 bonds (distance) P-C4' energy: -95.086 flat angles C4'-P-C4' energy: -97.132 flat angles P-C4'-P energy: -68.635 tors. eta vs tors. theta energy: -112.770 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: 7, replica: 9 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1500.667163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.667163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.667163 (E_RNA) where: Base-Base interactions energy: -1027.208 where: short stacking energy: -439.784 Base-Backbone interact. energy: 2.203 local terms energy: -475.661785 where: bonds (distance) C4'-P energy: -72.880 bonds (distance) P-C4' energy: -106.749 flat angles C4'-P-C4' energy: -104.299 flat angles P-C4'-P energy: -73.580 tors. eta vs tors. theta energy: -118.154 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: 8, replica: 10 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1398.300245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.300245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.300245 (E_RNA) where: Base-Base interactions energy: -945.173 where: short stacking energy: -410.029 Base-Backbone interact. energy: -0.744 local terms energy: -452.383516 where: bonds (distance) C4'-P energy: -81.897 bonds (distance) P-C4' energy: -101.794 flat angles C4'-P-C4' energy: -97.396 flat angles P-C4'-P energy: -69.826 tors. eta vs tors. theta energy: -101.470 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: 9, replica: 6 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1230.434532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.434532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.434532 (E_RNA) where: Base-Base interactions energy: -800.400 where: short stacking energy: -344.284 Base-Backbone interact. energy: 1.159 local terms energy: -431.193445 where: bonds (distance) C4'-P energy: -101.500 bonds (distance) P-C4' energy: -101.070 flat angles C4'-P-C4' energy: -94.743 flat angles P-C4'-P energy: -54.606 tors. eta vs tors. theta energy: -79.275 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: 10, replica: 7 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -1099.951585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.951585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.951585 (E_RNA) where: Base-Base interactions energy: -723.142 where: short stacking energy: -314.812 Base-Backbone interact. energy: 4.924 local terms energy: -381.733350 where: bonds (distance) C4'-P energy: -79.396 bonds (distance) P-C4' energy: -95.635 flat angles C4'-P-C4' energy: -100.872 flat angles P-C4'-P energy: -47.665 tors. eta vs tors. theta energy: -58.166 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: 1, replica: 2 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1935.660176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.660176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.660176 (E_RNA) where: Base-Base interactions energy: -1353.658 where: short stacking energy: -560.093 Base-Backbone interact. energy: -2.239 local terms energy: -579.763789 where: bonds (distance) C4'-P energy: -101.517 bonds (distance) P-C4' energy: -110.051 flat angles C4'-P-C4' energy: -118.262 flat angles P-C4'-P energy: -85.515 tors. eta vs tors. theta energy: -164.418 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: 2, replica: 8 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1887.631182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.631182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.631182 (E_RNA) where: Base-Base interactions energy: -1317.164 where: short stacking energy: -544.214 Base-Backbone interact. energy: -2.610 local terms energy: -567.857064 where: bonds (distance) C4'-P energy: -107.426 bonds (distance) P-C4' energy: -110.797 flat angles C4'-P-C4' energy: -115.711 flat angles P-C4'-P energy: -73.446 tors. eta vs tors. theta energy: -160.477 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: 3 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1854.031712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.031712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.031712 (E_RNA) where: Base-Base interactions energy: -1298.162 where: short stacking energy: -534.979 Base-Backbone interact. energy: -1.959 local terms energy: -553.910024 where: bonds (distance) C4'-P energy: -101.327 bonds (distance) P-C4' energy: -107.646 flat angles C4'-P-C4' energy: -115.730 flat angles P-C4'-P energy: -79.638 tors. eta vs tors. theta energy: -149.569 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: 1 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1746.330191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.330191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.330191 (E_RNA) where: Base-Base interactions energy: -1227.341 where: short stacking energy: -500.633 Base-Backbone interact. energy: 2.509 local terms energy: -521.498229 where: bonds (distance) C4'-P energy: -90.499 bonds (distance) P-C4' energy: -102.071 flat angles C4'-P-C4' energy: -114.292 flat angles P-C4'-P energy: -78.023 tors. eta vs tors. theta energy: -136.614 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: 5, replica: 4 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1650.859634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.859634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.859634 (E_RNA) where: Base-Base interactions energy: -1150.899 where: short stacking energy: -499.251 Base-Backbone interact. energy: -0.972 local terms energy: -498.987977 where: bonds (distance) C4'-P energy: -84.151 bonds (distance) P-C4' energy: -108.228 flat angles C4'-P-C4' energy: -102.979 flat angles P-C4'-P energy: -69.660 tors. eta vs tors. theta energy: -133.971 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: 5 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1617.137699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.137699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.137699 (E_RNA) where: Base-Base interactions energy: -1129.574 where: short stacking energy: -441.513 Base-Backbone interact. energy: 0.022 local terms energy: -487.585591 where: bonds (distance) C4'-P energy: -84.295 bonds (distance) P-C4' energy: -109.603 flat angles C4'-P-C4' energy: -104.542 flat angles P-C4'-P energy: -68.956 tors. eta vs tors. theta energy: -120.190 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: 9 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1492.961769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.961769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.961769 (E_RNA) where: Base-Base interactions energy: -1052.218 where: short stacking energy: -425.629 Base-Backbone interact. energy: 1.493 local terms energy: -442.236630 where: bonds (distance) C4'-P energy: -78.335 bonds (distance) P-C4' energy: -96.776 flat angles C4'-P-C4' energy: -99.884 flat angles P-C4'-P energy: -66.374 tors. eta vs tors. theta energy: -100.867 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: 10 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1370.481508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.481508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.481508 (E_RNA) where: Base-Base interactions energy: -928.301 where: short stacking energy: -394.058 Base-Backbone interact. energy: 1.042 local terms energy: -443.222992 where: bonds (distance) C4'-P energy: -84.812 bonds (distance) P-C4' energy: -101.603 flat angles C4'-P-C4' energy: -94.029 flat angles P-C4'-P energy: -64.573 tors. eta vs tors. theta energy: -98.206 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: 9, replica: 6 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1231.870515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.870515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.870515 (E_RNA) where: Base-Base interactions energy: -812.165 where: short stacking energy: -356.747 Base-Backbone interact. energy: 2.122 local terms energy: -421.828022 where: bonds (distance) C4'-P energy: -87.046 bonds (distance) P-C4' energy: -101.603 flat angles C4'-P-C4' energy: -98.280 flat angles P-C4'-P energy: -61.132 tors. eta vs tors. theta energy: -73.768 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: 7 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -1092.007174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.007174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.007174 (E_RNA) where: Base-Base interactions energy: -703.174 where: short stacking energy: -321.834 Base-Backbone interact. energy: -0.915 local terms energy: -387.918769 where: bonds (distance) C4'-P energy: -86.017 bonds (distance) P-C4' energy: -93.696 flat angles C4'-P-C4' energy: -88.132 flat angles P-C4'-P energy: -57.720 tors. eta vs tors. theta energy: -62.354 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: 1, replica: 2 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1919.015241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.015241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.015241 (E_RNA) where: Base-Base interactions energy: -1350.843 where: short stacking energy: -560.020 Base-Backbone interact. energy: -3.451 local terms energy: -564.721585 where: bonds (distance) C4'-P energy: -92.919 bonds (distance) P-C4' energy: -110.862 flat angles C4'-P-C4' energy: -123.833 flat angles P-C4'-P energy: -79.481 tors. eta vs tors. theta energy: -157.626 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: 2, replica: 8 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1894.189765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.189765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.189765 (E_RNA) where: Base-Base interactions energy: -1337.231 where: short stacking energy: -545.806 Base-Backbone interact. energy: 2.776 local terms energy: -559.735307 where: bonds (distance) C4'-P energy: -96.293 bonds (distance) P-C4' energy: -119.650 flat angles C4'-P-C4' energy: -113.117 flat angles P-C4'-P energy: -75.850 tors. eta vs tors. theta energy: -154.826 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: 3, replica: 3 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1881.061345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.061345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.061345 (E_RNA) where: Base-Base interactions energy: -1322.646 where: short stacking energy: -548.692 Base-Backbone interact. energy: 1.315 local terms energy: -559.730759 where: bonds (distance) C4'-P energy: -97.581 bonds (distance) P-C4' energy: -114.052 flat angles C4'-P-C4' energy: -116.904 flat angles P-C4'-P energy: -74.547 tors. eta vs tors. theta energy: -156.646 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: 4, replica: 1 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1745.814637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.814637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.814637 (E_RNA) where: Base-Base interactions energy: -1225.286 where: short stacking energy: -496.517 Base-Backbone interact. energy: -0.517 local terms energy: -520.011935 where: bonds (distance) C4'-P energy: -93.575 bonds (distance) P-C4' energy: -112.797 flat angles C4'-P-C4' energy: -110.625 flat angles P-C4'-P energy: -63.720 tors. eta vs tors. theta energy: -139.295 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: 5, replica: 4 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1669.276583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.276583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.276583 (E_RNA) where: Base-Base interactions energy: -1150.073 where: short stacking energy: -483.629 Base-Backbone interact. energy: -1.121 local terms energy: -518.083407 where: bonds (distance) C4'-P energy: -83.455 bonds (distance) P-C4' energy: -112.730 flat angles C4'-P-C4' energy: -113.981 flat angles P-C4'-P energy: -77.308 tors. eta vs tors. theta energy: -130.609 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: 5 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1640.756374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.756374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.756374 (E_RNA) where: Base-Base interactions energy: -1170.699 where: short stacking energy: -456.077 Base-Backbone interact. energy: -1.323 local terms energy: -468.734574 where: bonds (distance) C4'-P energy: -85.172 bonds (distance) P-C4' energy: -91.066 flat angles C4'-P-C4' energy: -104.466 flat angles P-C4'-P energy: -66.174 tors. eta vs tors. theta energy: -121.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1494.239102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.239102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.239102 (E_RNA) where: Base-Base interactions energy: -1013.112 where: short stacking energy: -415.428 Base-Backbone interact. energy: 1.474 local terms energy: -482.601545 where: bonds (distance) C4'-P energy: -95.062 bonds (distance) P-C4' energy: -108.440 flat angles C4'-P-C4' energy: -111.753 flat angles P-C4'-P energy: -57.790 tors. eta vs tors. theta energy: -109.557 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: 8, replica: 10 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1352.167624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.167624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.167624 (E_RNA) where: Base-Base interactions energy: -927.450 where: short stacking energy: -377.969 Base-Backbone interact. energy: 4.359 local terms energy: -429.076899 where: bonds (distance) C4'-P energy: -89.136 bonds (distance) P-C4' energy: -94.290 flat angles C4'-P-C4' energy: -97.343 flat angles P-C4'-P energy: -59.725 tors. eta vs tors. theta energy: -88.584 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: 9, replica: 6 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1231.209451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.209451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.209451 (E_RNA) where: Base-Base interactions energy: -824.245 where: short stacking energy: -349.272 Base-Backbone interact. energy: 4.454 local terms energy: -411.418270 where: bonds (distance) C4'-P energy: -85.439 bonds (distance) P-C4' energy: -109.200 flat angles C4'-P-C4' energy: -85.135 flat angles P-C4'-P energy: -49.485 tors. eta vs tors. theta energy: -82.160 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: 10, replica: 7 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -1085.037866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.037866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.037866 (E_RNA) where: Base-Base interactions energy: -706.924 where: short stacking energy: -303.735 Base-Backbone interact. energy: -0.940 local terms energy: -377.174193 where: bonds (distance) C4'-P energy: -90.683 bonds (distance) P-C4' energy: -83.738 flat angles C4'-P-C4' energy: -83.432 flat angles P-C4'-P energy: -65.638 tors. eta vs tors. theta energy: -53.684 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: 8 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1916.311666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.311666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.311666 (E_RNA) where: Base-Base interactions energy: -1331.723 where: short stacking energy: -554.695 Base-Backbone interact. energy: 1.514 local terms energy: -586.102589 where: bonds (distance) C4'-P energy: -107.122 bonds (distance) P-C4' energy: -111.937 flat angles C4'-P-C4' energy: -116.465 flat angles P-C4'-P energy: -83.827 tors. eta vs tors. theta energy: -166.751 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: 2 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1879.555642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.555642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.555642 (E_RNA) where: Base-Base interactions energy: -1309.486 where: short stacking energy: -538.745 Base-Backbone interact. energy: -3.093 local terms energy: -566.976288 where: bonds (distance) C4'-P energy: -105.004 bonds (distance) P-C4' energy: -110.822 flat angles C4'-P-C4' energy: -117.071 flat angles P-C4'-P energy: -86.919 tors. eta vs tors. theta energy: -147.161 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: 3, replica: 3 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1866.112694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.112694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.112694 (E_RNA) where: Base-Base interactions energy: -1307.871 where: short stacking energy: -550.957 Base-Backbone interact. energy: -0.479 local terms energy: -557.762854 where: bonds (distance) C4'-P energy: -91.773 bonds (distance) P-C4' energy: -108.237 flat angles C4'-P-C4' energy: -115.799 flat angles P-C4'-P energy: -82.869 tors. eta vs tors. theta energy: -159.084 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: 4, replica: 1 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1770.906800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.906800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.906800 (E_RNA) where: Base-Base interactions energy: -1243.716 where: short stacking energy: -503.221 Base-Backbone interact. energy: -1.097 local terms energy: -526.093491 where: bonds (distance) C4'-P energy: -87.234 bonds (distance) P-C4' energy: -108.949 flat angles C4'-P-C4' energy: -118.989 flat angles P-C4'-P energy: -75.741 tors. eta vs tors. theta energy: -135.180 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: 5 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1660.515385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.515385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.515385 (E_RNA) where: Base-Base interactions energy: -1157.428 where: short stacking energy: -475.955 Base-Backbone interact. energy: -2.341 local terms energy: -500.745901 where: bonds (distance) C4'-P energy: -85.050 bonds (distance) P-C4' energy: -107.651 flat angles C4'-P-C4' energy: -115.980 flat angles P-C4'-P energy: -64.487 tors. eta vs tors. theta energy: -127.578 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: 6, replica: 4 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1624.935561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.935561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.935561 (E_RNA) where: Base-Base interactions energy: -1125.259 where: short stacking energy: -469.092 Base-Backbone interact. energy: -1.434 local terms energy: -498.242705 where: bonds (distance) C4'-P energy: -95.266 bonds (distance) P-C4' energy: -104.515 flat angles C4'-P-C4' energy: -107.967 flat angles P-C4'-P energy: -66.719 tors. eta vs tors. theta energy: -123.775 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: 7, replica: 9 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1502.724755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.724755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.724755 (E_RNA) where: Base-Base interactions energy: -1050.984 where: short stacking energy: -441.719 Base-Backbone interact. energy: 0.554 local terms energy: -452.295207 where: bonds (distance) C4'-P energy: -92.124 bonds (distance) P-C4' energy: -97.303 flat angles C4'-P-C4' energy: -101.737 flat angles P-C4'-P energy: -56.901 tors. eta vs tors. theta energy: -104.229 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: 10 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1375.299173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.299173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.299173 (E_RNA) where: Base-Base interactions energy: -940.581 where: short stacking energy: -388.654 Base-Backbone interact. energy: -2.640 local terms energy: -432.078465 where: bonds (distance) C4'-P energy: -84.877 bonds (distance) P-C4' energy: -93.333 flat angles C4'-P-C4' energy: -108.222 flat angles P-C4'-P energy: -56.809 tors. eta vs tors. theta energy: -88.838 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: 9, replica: 6 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1278.173763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.173763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.173763 (E_RNA) where: Base-Base interactions energy: -852.886 where: short stacking energy: -379.170 Base-Backbone interact. energy: -1.267 local terms energy: -424.020633 where: bonds (distance) C4'-P energy: -69.836 bonds (distance) P-C4' energy: -101.852 flat angles C4'-P-C4' energy: -106.708 flat angles P-C4'-P energy: -66.526 tors. eta vs tors. theta energy: -79.099 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: 10, replica: 7 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -1115.694119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.694119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.694119 (E_RNA) where: Base-Base interactions energy: -723.734 where: short stacking energy: -322.403 Base-Backbone interact. energy: 0.646 local terms energy: -392.606225 where: bonds (distance) C4'-P energy: -80.645 bonds (distance) P-C4' energy: -109.575 flat angles C4'-P-C4' energy: -96.343 flat angles P-C4'-P energy: -47.325 tors. eta vs tors. theta energy: -58.719 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: 8 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1915.784564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.784564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.784564 (E_RNA) where: Base-Base interactions energy: -1338.035 where: short stacking energy: -566.616 Base-Backbone interact. energy: -1.747 local terms energy: -576.002498 where: bonds (distance) C4'-P energy: -104.988 bonds (distance) P-C4' energy: -112.669 flat angles C4'-P-C4' energy: -118.749 flat angles P-C4'-P energy: -79.985 tors. eta vs tors. theta energy: -159.611 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: 2, replica: 2 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1873.174048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.174048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.174048 (E_RNA) where: Base-Base interactions energy: -1308.283 where: short stacking energy: -541.970 Base-Backbone interact. energy: -2.223 local terms energy: -562.667945 where: bonds (distance) C4'-P energy: -95.311 bonds (distance) P-C4' energy: -101.090 flat angles C4'-P-C4' energy: -120.184 flat angles P-C4'-P energy: -86.755 tors. eta vs tors. theta energy: -159.329 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: 3, replica: 3 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1859.251297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.251297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.251297 (E_RNA) where: Base-Base interactions energy: -1308.342 where: short stacking energy: -541.285 Base-Backbone interact. energy: -3.060 local terms energy: -547.849789 where: bonds (distance) C4'-P energy: -88.142 bonds (distance) P-C4' energy: -111.313 flat angles C4'-P-C4' energy: -119.788 flat angles P-C4'-P energy: -75.669 tors. eta vs tors. theta energy: -152.938 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: 4, replica: 1 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1810.372216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.372216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.372216 (E_RNA) where: Base-Base interactions energy: -1269.179 where: short stacking energy: -525.597 Base-Backbone interact. energy: 0.080 local terms energy: -541.273778 where: bonds (distance) C4'-P energy: -97.133 bonds (distance) P-C4' energy: -99.752 flat angles C4'-P-C4' energy: -118.905 flat angles P-C4'-P energy: -76.126 tors. eta vs tors. theta energy: -149.359 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: 285 Temperature: 1.100000 Total energy: -1682.183193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.183193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.183193 (E_RNA) where: Base-Base interactions energy: -1162.847 where: short stacking energy: -465.772 Base-Backbone interact. energy: 1.052 local terms energy: -520.387564 where: bonds (distance) C4'-P energy: -101.146 bonds (distance) P-C4' energy: -112.695 flat angles C4'-P-C4' energy: -104.951 flat angles P-C4'-P energy: -72.516 tors. eta vs tors. theta energy: -129.080 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: 6, replica: 4 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1596.604887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.604887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.604887 (E_RNA) where: Base-Base interactions energy: -1125.612 where: short stacking energy: -454.978 Base-Backbone interact. energy: 2.981 local terms energy: -473.974185 where: bonds (distance) C4'-P energy: -94.514 bonds (distance) P-C4' energy: -102.104 flat angles C4'-P-C4' energy: -92.397 flat angles P-C4'-P energy: -66.999 tors. eta vs tors. theta energy: -117.959 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: 7, replica: 9 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1507.811847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.811847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.811847 (E_RNA) where: Base-Base interactions energy: -1020.928 where: short stacking energy: -439.670 Base-Backbone interact. energy: -0.774 local terms energy: -486.110402 where: bonds (distance) C4'-P energy: -90.234 bonds (distance) P-C4' energy: -99.106 flat angles C4'-P-C4' energy: -106.645 flat angles P-C4'-P energy: -76.886 tors. eta vs tors. theta energy: -113.239 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: 8, replica: 10 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1384.260772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.260772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.260772 (E_RNA) where: Base-Base interactions energy: -930.935 where: short stacking energy: -373.693 Base-Backbone interact. energy: 1.425 local terms energy: -454.750239 where: bonds (distance) C4'-P energy: -89.776 bonds (distance) P-C4' energy: -105.478 flat angles C4'-P-C4' energy: -104.379 flat angles P-C4'-P energy: -66.661 tors. eta vs tors. theta energy: -88.456 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: 9, replica: 6 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1259.937834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.937834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.937834 (E_RNA) where: Base-Base interactions energy: -839.268 where: short stacking energy: -363.872 Base-Backbone interact. energy: -0.386 local terms energy: -420.283249 where: bonds (distance) C4'-P energy: -83.550 bonds (distance) P-C4' energy: -99.544 flat angles C4'-P-C4' energy: -95.659 flat angles P-C4'-P energy: -64.675 tors. eta vs tors. theta energy: -76.855 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: 7 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -1078.455143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.455143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.455143 (E_RNA) where: Base-Base interactions energy: -705.039 where: short stacking energy: -320.704 Base-Backbone interact. energy: 4.080 local terms energy: -377.496454 where: bonds (distance) C4'-P energy: -71.605 bonds (distance) P-C4' energy: -113.680 flat angles C4'-P-C4' energy: -86.088 flat angles P-C4'-P energy: -50.438 tors. eta vs tors. theta energy: -55.685 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: 8 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1917.941755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.941755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.941755 (E_RNA) where: Base-Base interactions energy: -1338.138 where: short stacking energy: -552.840 Base-Backbone interact. energy: -2.952 local terms energy: -576.851317 where: bonds (distance) C4'-P energy: -104.229 bonds (distance) P-C4' energy: -107.318 flat angles C4'-P-C4' energy: -123.584 flat angles P-C4'-P energy: -87.081 tors. eta vs tors. theta energy: -154.640 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: 2, replica: 2 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1879.466052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.466052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.466052 (E_RNA) where: Base-Base interactions energy: -1289.560 where: short stacking energy: -539.606 Base-Backbone interact. energy: -0.882 local terms energy: -589.023579 where: bonds (distance) C4'-P energy: -108.540 bonds (distance) P-C4' energy: -118.481 flat angles C4'-P-C4' energy: -116.518 flat angles P-C4'-P energy: -86.027 tors. eta vs tors. theta energy: -159.458 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: 3, replica: 3 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1877.945404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.945404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.945404 (E_RNA) where: Base-Base interactions energy: -1333.493 where: short stacking energy: -552.264 Base-Backbone interact. energy: -2.510 local terms energy: -541.942243 where: bonds (distance) C4'-P energy: -95.197 bonds (distance) P-C4' energy: -95.043 flat angles C4'-P-C4' energy: -118.906 flat angles P-C4'-P energy: -75.972 tors. eta vs tors. theta energy: -156.823 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: 4, replica: 1 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1785.403004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.403004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.403004 (E_RNA) where: Base-Base interactions energy: -1259.556 where: short stacking energy: -508.088 Base-Backbone interact. energy: -0.121 local terms energy: -525.725978 where: bonds (distance) C4'-P energy: -93.298 bonds (distance) P-C4' energy: -103.184 flat angles C4'-P-C4' energy: -112.726 flat angles P-C4'-P energy: -74.635 tors. eta vs tors. theta energy: -141.883 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: 5 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1691.017545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.017545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.017545 (E_RNA) where: Base-Base interactions energy: -1176.522 where: short stacking energy: -475.021 Base-Backbone interact. energy: -2.331 local terms energy: -512.163812 where: bonds (distance) C4'-P energy: -91.591 bonds (distance) P-C4' energy: -96.636 flat angles C4'-P-C4' energy: -115.545 flat angles P-C4'-P energy: -79.607 tors. eta vs tors. theta energy: -128.784 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: 4 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1583.131647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.131647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.131647 (E_RNA) where: Base-Base interactions energy: -1103.562 where: short stacking energy: -445.836 Base-Backbone interact. energy: 0.378 local terms energy: -479.947594 where: bonds (distance) C4'-P energy: -82.706 bonds (distance) P-C4' energy: -93.499 flat angles C4'-P-C4' energy: -107.399 flat angles P-C4'-P energy: -75.213 tors. eta vs tors. theta energy: -121.131 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: 9 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1488.882523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.882523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.882523 (E_RNA) where: Base-Base interactions energy: -1003.330 where: short stacking energy: -411.624 Base-Backbone interact. energy: 1.768 local terms energy: -487.320298 where: bonds (distance) C4'-P energy: -91.650 bonds (distance) P-C4' energy: -115.657 flat angles C4'-P-C4' energy: -104.105 flat angles P-C4'-P energy: -71.201 tors. eta vs tors. theta energy: -104.708 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: 8, replica: 10 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1411.725367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.725367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.725367 (E_RNA) where: Base-Base interactions energy: -973.722 where: short stacking energy: -386.903 Base-Backbone interact. energy: 0.443 local terms energy: -438.446499 where: bonds (distance) C4'-P energy: -84.112 bonds (distance) P-C4' energy: -92.053 flat angles C4'-P-C4' energy: -95.351 flat angles P-C4'-P energy: -69.051 tors. eta vs tors. theta energy: -97.880 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: 286 Temperature: 1.300000 Total energy: -1288.091965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.091965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.091965 (E_RNA) where: Base-Base interactions energy: -869.251 where: short stacking energy: -365.185 Base-Backbone interact. energy: -1.856 local terms energy: -416.984654 where: bonds (distance) C4'-P energy: -93.103 bonds (distance) P-C4' energy: -93.079 flat angles C4'-P-C4' energy: -88.602 flat angles P-C4'-P energy: -57.942 tors. eta vs tors. theta energy: -84.258 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: 7 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -1077.014527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.014527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.014527 (E_RNA) where: Base-Base interactions energy: -702.521 where: short stacking energy: -305.874 Base-Backbone interact. energy: -0.156 local terms energy: -374.338232 where: bonds (distance) C4'-P energy: -86.875 bonds (distance) P-C4' energy: -97.970 flat angles C4'-P-C4' energy: -82.609 flat angles P-C4'-P energy: -54.190 tors. eta vs tors. theta energy: -52.694 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: 1, replica: 8 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1905.239896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.239896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.239896 (E_RNA) where: Base-Base interactions energy: -1347.131 where: short stacking energy: -550.607 Base-Backbone interact. energy: 3.172 local terms energy: -561.281535 where: bonds (distance) C4'-P energy: -102.701 bonds (distance) P-C4' energy: -118.051 flat angles C4'-P-C4' energy: -111.624 flat angles P-C4'-P energy: -71.556 tors. eta vs tors. theta energy: -157.349 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: 2, replica: 3 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1909.489164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.489164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.489164 (E_RNA) where: Base-Base interactions energy: -1335.046 where: short stacking energy: -552.073 Base-Backbone interact. energy: -0.968 local terms energy: -573.474906 where: bonds (distance) C4'-P energy: -97.246 bonds (distance) P-C4' energy: -111.221 flat angles C4'-P-C4' energy: -127.438 flat angles P-C4'-P energy: -80.238 tors. eta vs tors. theta energy: -157.331 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: 2 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1848.734206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.734206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.734206 (E_RNA) where: Base-Base interactions energy: -1281.847 where: short stacking energy: -510.341 Base-Backbone interact. energy: -1.469 local terms energy: -565.418076 where: bonds (distance) C4'-P energy: -102.574 bonds (distance) P-C4' energy: -103.191 flat angles C4'-P-C4' energy: -118.202 flat angles P-C4'-P energy: -85.214 tors. eta vs tors. theta energy: -156.236 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: 4, replica: 1 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1764.858969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.858969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.858969 (E_RNA) where: Base-Base interactions energy: -1236.415 where: short stacking energy: -499.562 Base-Backbone interact. energy: 0.202 local terms energy: -528.646645 where: bonds (distance) C4'-P energy: -95.096 bonds (distance) P-C4' energy: -113.360 flat angles C4'-P-C4' energy: -108.234 flat angles P-C4'-P energy: -69.646 tors. eta vs tors. theta energy: -142.311 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: 5 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1650.909655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.909655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.909655 (E_RNA) where: Base-Base interactions energy: -1148.850 where: short stacking energy: -488.038 Base-Backbone interact. energy: 1.362 local terms energy: -503.421590 where: bonds (distance) C4'-P energy: -86.794 bonds (distance) P-C4' energy: -105.882 flat angles C4'-P-C4' energy: -109.025 flat angles P-C4'-P energy: -74.677 tors. eta vs tors. theta energy: -127.043 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: 6, replica: 4 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1579.717093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.717093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.717093 (E_RNA) where: Base-Base interactions energy: -1094.985 where: short stacking energy: -445.230 Base-Backbone interact. energy: 1.915 local terms energy: -486.647791 where: bonds (distance) C4'-P energy: -99.685 bonds (distance) P-C4' energy: -109.346 flat angles C4'-P-C4' energy: -94.578 flat angles P-C4'-P energy: -69.221 tors. eta vs tors. theta energy: -113.818 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: 9 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1489.534220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.534220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.534220 (E_RNA) where: Base-Base interactions energy: -1021.112 where: short stacking energy: -428.600 Base-Backbone interact. energy: 7.097 local terms energy: -475.519133 where: bonds (distance) C4'-P energy: -88.909 bonds (distance) P-C4' energy: -106.715 flat angles C4'-P-C4' energy: -101.699 flat angles P-C4'-P energy: -72.816 tors. eta vs tors. theta energy: -105.380 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: 10 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1351.214314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.214314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.214314 (E_RNA) where: Base-Base interactions energy: -917.930 where: short stacking energy: -393.009 Base-Backbone interact. energy: 0.411 local terms energy: -433.696044 where: bonds (distance) C4'-P energy: -80.363 bonds (distance) P-C4' energy: -100.586 flat angles C4'-P-C4' energy: -101.834 flat angles P-C4'-P energy: -66.896 tors. eta vs tors. theta energy: -84.017 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: 9, replica: 6 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1253.970747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.970747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.970747 (E_RNA) where: Base-Base interactions energy: -816.477 where: short stacking energy: -345.368 Base-Backbone interact. energy: 0.110 local terms energy: -437.603956 where: bonds (distance) C4'-P energy: -97.943 bonds (distance) P-C4' energy: -105.391 flat angles C4'-P-C4' energy: -95.000 flat angles P-C4'-P energy: -64.660 tors. eta vs tors. theta energy: -74.609 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: 10, replica: 7 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -1109.906546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.906546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.906546 (E_RNA) where: Base-Base interactions energy: -719.758 where: short stacking energy: -333.100 Base-Backbone interact. energy: 5.622 local terms energy: -395.770639 where: bonds (distance) C4'-P energy: -84.277 bonds (distance) P-C4' energy: -102.985 flat angles C4'-P-C4' energy: -96.865 flat angles P-C4'-P energy: -52.083 tors. eta vs tors. theta energy: -59.561 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: 1, replica: 8 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1917.108436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.108436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.108436 (E_RNA) where: Base-Base interactions energy: -1343.035 where: short stacking energy: -552.070 Base-Backbone interact. energy: -0.340 local terms energy: -573.733186 where: bonds (distance) C4'-P energy: -102.058 bonds (distance) P-C4' energy: -107.364 flat angles C4'-P-C4' energy: -116.123 flat angles P-C4'-P energy: -90.208 tors. eta vs tors. theta energy: -157.980 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: 2, replica: 3 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1873.657187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.657187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.657187 (E_RNA) where: Base-Base interactions energy: -1315.357 where: short stacking energy: -539.073 Base-Backbone interact. energy: -0.335 local terms energy: -557.965226 where: bonds (distance) C4'-P energy: -98.970 bonds (distance) P-C4' energy: -103.287 flat angles C4'-P-C4' energy: -118.106 flat angles P-C4'-P energy: -78.464 tors. eta vs tors. theta energy: -159.137 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: 3, replica: 1 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1834.414663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.414663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.414663 (E_RNA) where: Base-Base interactions energy: -1283.092 where: short stacking energy: -525.296 Base-Backbone interact. energy: -0.508 local terms energy: -550.815132 where: bonds (distance) C4'-P energy: -83.414 bonds (distance) P-C4' energy: -114.521 flat angles C4'-P-C4' energy: -119.833 flat angles P-C4'-P energy: -79.680 tors. eta vs tors. theta energy: -153.367 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: 4, replica: 2 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1838.672999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.672999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.672999 (E_RNA) where: Base-Base interactions energy: -1305.028 where: short stacking energy: -537.492 Base-Backbone interact. energy: 0.574 local terms energy: -534.219794 where: bonds (distance) C4'-P energy: -80.127 bonds (distance) P-C4' energy: -97.679 flat angles C4'-P-C4' energy: -117.265 flat angles P-C4'-P energy: -80.245 tors. eta vs tors. theta energy: -158.904 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: 5 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1710.985110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.985110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.985110 (E_RNA) where: Base-Base interactions energy: -1205.669 where: short stacking energy: -504.083 Base-Backbone interact. energy: 1.814 local terms energy: -507.130223 where: bonds (distance) C4'-P energy: -81.644 bonds (distance) P-C4' energy: -112.038 flat angles C4'-P-C4' energy: -112.662 flat angles P-C4'-P energy: -68.406 tors. eta vs tors. theta energy: -132.381 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: 4 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1587.298673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.298673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.298673 (E_RNA) where: Base-Base interactions energy: -1077.352 where: short stacking energy: -453.817 Base-Backbone interact. energy: 0.984 local terms energy: -510.930934 where: bonds (distance) C4'-P energy: -102.962 bonds (distance) P-C4' energy: -107.163 flat angles C4'-P-C4' energy: -107.830 flat angles P-C4'-P energy: -72.991 tors. eta vs tors. theta energy: -119.984 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: 9 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1496.850852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.850852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.850852 (E_RNA) where: Base-Base interactions energy: -1052.116 where: short stacking energy: -445.917 Base-Backbone interact. energy: 0.744 local terms energy: -445.478796 where: bonds (distance) C4'-P energy: -75.650 bonds (distance) P-C4' energy: -104.003 flat angles C4'-P-C4' energy: -99.558 flat angles P-C4'-P energy: -47.521 tors. eta vs tors. theta energy: -118.747 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: 10 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1308.579386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.579386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.579386 (E_RNA) where: Base-Base interactions energy: -887.821 where: short stacking energy: -367.391 Base-Backbone interact. energy: 0.216 local terms energy: -420.974330 where: bonds (distance) C4'-P energy: -73.612 bonds (distance) P-C4' energy: -102.511 flat angles C4'-P-C4' energy: -100.021 flat angles P-C4'-P energy: -65.726 tors. eta vs tors. theta energy: -79.104 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: 9, replica: 6 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1226.362529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.362529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.362529 (E_RNA) where: Base-Base interactions energy: -811.482 where: short stacking energy: -344.489 Base-Backbone interact. energy: 1.200 local terms energy: -416.080772 where: bonds (distance) C4'-P energy: -87.778 bonds (distance) P-C4' energy: -94.849 flat angles C4'-P-C4' energy: -90.352 flat angles P-C4'-P energy: -73.981 tors. eta vs tors. theta energy: -69.121 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: 10, replica: 7 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -1111.525285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.525285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.525285 (E_RNA) where: Base-Base interactions energy: -731.444 where: short stacking energy: -323.366 Base-Backbone interact. energy: -0.811 local terms energy: -379.270542 where: bonds (distance) C4'-P energy: -83.027 bonds (distance) P-C4' energy: -100.305 flat angles C4'-P-C4' energy: -91.943 flat angles P-C4'-P energy: -48.240 tors. eta vs tors. theta energy: -55.756 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: 1, replica: 8 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1932.490504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.490504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.490504 (E_RNA) where: Base-Base interactions energy: -1355.347 where: short stacking energy: -562.325 Base-Backbone interact. energy: 0.723 local terms energy: -577.866966 where: bonds (distance) C4'-P energy: -104.874 bonds (distance) P-C4' energy: -117.249 flat angles C4'-P-C4' energy: -110.586 flat angles P-C4'-P energy: -82.459 tors. eta vs tors. theta energy: -162.699 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: 3 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1885.992573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.992573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.992573 (E_RNA) where: Base-Base interactions energy: -1325.901 where: short stacking energy: -540.645 Base-Backbone interact. energy: -0.119 local terms energy: -559.972034 where: bonds (distance) C4'-P energy: -101.407 bonds (distance) P-C4' energy: -107.283 flat angles C4'-P-C4' energy: -113.292 flat angles P-C4'-P energy: -85.685 tors. eta vs tors. theta energy: -152.305 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: 289 Temperature: 1.000000 Total energy: -1812.033254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.033254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.033254 (E_RNA) where: Base-Base interactions energy: -1270.300 where: short stacking energy: -532.178 Base-Backbone interact. energy: -0.140 local terms energy: -541.593154 where: bonds (distance) C4'-P energy: -94.670 bonds (distance) P-C4' energy: -111.816 flat angles C4'-P-C4' energy: -109.421 flat angles P-C4'-P energy: -84.496 tors. eta vs tors. theta energy: -141.189 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: 2 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1803.020815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.020815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.020815 (E_RNA) where: Base-Base interactions energy: -1265.590 where: short stacking energy: -508.841 Base-Backbone interact. energy: 0.311 local terms energy: -537.742361 where: bonds (distance) C4'-P energy: -99.496 bonds (distance) P-C4' energy: -113.006 flat angles C4'-P-C4' energy: -108.679 flat angles P-C4'-P energy: -71.421 tors. eta vs tors. theta energy: -145.140 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: 5, replica: 5 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1677.508340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.508340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.508340 (E_RNA) where: Base-Base interactions energy: -1179.792 where: short stacking energy: -468.131 Base-Backbone interact. energy: 5.466 local terms energy: -503.182938 where: bonds (distance) C4'-P energy: -96.037 bonds (distance) P-C4' energy: -102.892 flat angles C4'-P-C4' energy: -94.917 flat angles P-C4'-P energy: -79.091 tors. eta vs tors. theta energy: -130.247 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: 6, replica: 4 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1624.821865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.821865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.821865 (E_RNA) where: Base-Base interactions energy: -1113.193 where: short stacking energy: -473.424 Base-Backbone interact. energy: -1.764 local terms energy: -509.864757 where: bonds (distance) C4'-P energy: -87.837 bonds (distance) P-C4' energy: -107.225 flat angles C4'-P-C4' energy: -112.886 flat angles P-C4'-P energy: -73.337 tors. eta vs tors. theta energy: -128.580 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: 7, replica: 9 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1498.033800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.033800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.033800 (E_RNA) where: Base-Base interactions energy: -1020.456 where: short stacking energy: -429.306 Base-Backbone interact. energy: 1.108 local terms energy: -478.685740 where: bonds (distance) C4'-P energy: -95.779 bonds (distance) P-C4' energy: -109.868 flat angles C4'-P-C4' energy: -93.393 flat angles P-C4'-P energy: -62.321 tors. eta vs tors. theta energy: -117.325 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: 6 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1240.240440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.240440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.240440 (E_RNA) where: Base-Base interactions energy: -804.285 where: short stacking energy: -361.095 Base-Backbone interact. energy: 7.864 local terms energy: -443.819405 where: bonds (distance) C4'-P energy: -92.166 bonds (distance) P-C4' energy: -103.289 flat angles C4'-P-C4' energy: -99.994 flat angles P-C4'-P energy: -73.005 tors. eta vs tors. theta energy: -75.366 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: 9, replica: 10 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1301.254676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.254676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.254676 (E_RNA) where: Base-Base interactions energy: -873.823 where: short stacking energy: -373.092 Base-Backbone interact. energy: 1.160 local terms energy: -428.591766 where: bonds (distance) C4'-P energy: -93.806 bonds (distance) P-C4' energy: -96.137 flat angles C4'-P-C4' energy: -92.988 flat angles P-C4'-P energy: -59.438 tors. eta vs tors. theta energy: -86.222 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: 7 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -1084.720475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.720475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.720475 (E_RNA) where: Base-Base interactions energy: -703.024 where: short stacking energy: -327.274 Base-Backbone interact. energy: 0.611 local terms energy: -382.307108 where: bonds (distance) C4'-P energy: -83.578 bonds (distance) P-C4' energy: -93.564 flat angles C4'-P-C4' energy: -87.182 flat angles P-C4'-P energy: -58.797 tors. eta vs tors. theta energy: -59.185 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: 3 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1916.293830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.293830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.293830 (E_RNA) where: Base-Base interactions energy: -1341.099 where: short stacking energy: -553.592 Base-Backbone interact. energy: -2.210 local terms energy: -572.985059 where: bonds (distance) C4'-P energy: -100.401 bonds (distance) P-C4' energy: -120.347 flat angles C4'-P-C4' energy: -111.777 flat angles P-C4'-P energy: -80.591 tors. eta vs tors. theta energy: -159.869 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: 2, replica: 8 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1889.933882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.933882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.933882 (E_RNA) where: Base-Base interactions energy: -1324.769 where: short stacking energy: -550.329 Base-Backbone interact. energy: -2.778 local terms energy: -562.386563 where: bonds (distance) C4'-P energy: -85.899 bonds (distance) P-C4' energy: -121.887 flat angles C4'-P-C4' energy: -119.396 flat angles P-C4'-P energy: -75.963 tors. eta vs tors. theta energy: -159.241 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: 3, replica: 2 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1832.565400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.565400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.565400 (E_RNA) where: Base-Base interactions energy: -1305.233 where: short stacking energy: -539.478 Base-Backbone interact. energy: -3.745 local terms energy: -523.587724 where: bonds (distance) C4'-P energy: -89.600 bonds (distance) P-C4' energy: -102.039 flat angles C4'-P-C4' energy: -114.860 flat angles P-C4'-P energy: -63.581 tors. eta vs tors. theta energy: -153.508 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: 4, replica: 1 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1751.059215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.059215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.059215 (E_RNA) where: Base-Base interactions energy: -1225.250 where: short stacking energy: -493.482 Base-Backbone interact. energy: -2.985 local terms energy: -522.823985 where: bonds (distance) C4'-P energy: -87.862 bonds (distance) P-C4' energy: -107.181 flat angles C4'-P-C4' energy: -114.971 flat angles P-C4'-P energy: -76.767 tors. eta vs tors. theta energy: -136.044 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: 5, replica: 5 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1676.686521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.686521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.686521 (E_RNA) where: Base-Base interactions energy: -1174.617 where: short stacking energy: -482.166 Base-Backbone interact. energy: -1.400 local terms energy: -500.669286 where: bonds (distance) C4'-P energy: -88.187 bonds (distance) P-C4' energy: -108.284 flat angles C4'-P-C4' energy: -110.498 flat angles P-C4'-P energy: -67.028 tors. eta vs tors. theta energy: -126.672 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: 6, replica: 4 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1617.160835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.160835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.160835 (E_RNA) where: Base-Base interactions energy: -1126.085 where: short stacking energy: -473.440 Base-Backbone interact. energy: -0.431 local terms energy: -490.645667 where: bonds (distance) C4'-P energy: -91.332 bonds (distance) P-C4' energy: -98.194 flat angles C4'-P-C4' energy: -118.583 flat angles P-C4'-P energy: -66.494 tors. eta vs tors. theta energy: -116.042 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: 9 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1523.730080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.730080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.730080 (E_RNA) where: Base-Base interactions energy: -1043.377 where: short stacking energy: -433.353 Base-Backbone interact. energy: 0.123 local terms energy: -480.476761 where: bonds (distance) C4'-P energy: -93.666 bonds (distance) P-C4' energy: -112.266 flat angles C4'-P-C4' energy: -101.062 flat angles P-C4'-P energy: -67.075 tors. eta vs tors. theta energy: -106.408 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: 8, replica: 6 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1288.573474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.573474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.573474 (E_RNA) where: Base-Base interactions energy: -851.948 where: short stacking energy: -369.748 Base-Backbone interact. energy: 1.902 local terms energy: -438.528104 where: bonds (distance) C4'-P energy: -93.524 bonds (distance) P-C4' energy: -92.185 flat angles C4'-P-C4' energy: -103.050 flat angles P-C4'-P energy: -73.485 tors. eta vs tors. theta energy: -76.284 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: 9, replica: 10 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1320.138612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.138612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.138612 (E_RNA) where: Base-Base interactions energy: -905.948 where: short stacking energy: -362.509 Base-Backbone interact. energy: 2.903 local terms energy: -417.093550 where: bonds (distance) C4'-P energy: -81.806 bonds (distance) P-C4' energy: -100.904 flat angles C4'-P-C4' energy: -89.518 flat angles P-C4'-P energy: -58.298 tors. eta vs tors. theta energy: -86.568 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: 10, replica: 7 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -1095.970591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.970591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.970591 (E_RNA) where: Base-Base interactions energy: -733.473 where: short stacking energy: -313.547 Base-Backbone interact. energy: 2.593 local terms energy: -365.090787 where: bonds (distance) C4'-P energy: -73.229 bonds (distance) P-C4' energy: -94.652 flat angles C4'-P-C4' energy: -85.474 flat angles P-C4'-P energy: -60.932 tors. eta vs tors. theta energy: -50.804 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: 1, replica: 3 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1923.180252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.180252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.180252 (E_RNA) where: Base-Base interactions energy: -1346.070 where: short stacking energy: -556.211 Base-Backbone interact. energy: -1.122 local terms energy: -575.988813 where: bonds (distance) C4'-P energy: -107.132 bonds (distance) P-C4' energy: -114.622 flat angles C4'-P-C4' energy: -116.295 flat angles P-C4'-P energy: -80.025 tors. eta vs tors. theta energy: -157.914 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: 2, replica: 8 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1902.944505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.944505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.944505 (E_RNA) where: Base-Base interactions energy: -1341.154 where: short stacking energy: -565.494 Base-Backbone interact. energy: -0.666 local terms energy: -561.124660 where: bonds (distance) C4'-P energy: -94.074 bonds (distance) P-C4' energy: -116.082 flat angles C4'-P-C4' energy: -117.476 flat angles P-C4'-P energy: -76.478 tors. eta vs tors. theta energy: -157.015 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: 3, replica: 2 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1837.953574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.953574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.953574 (E_RNA) where: Base-Base interactions energy: -1289.016 where: short stacking energy: -526.663 Base-Backbone interact. energy: 1.406 local terms energy: -550.344012 where: bonds (distance) C4'-P energy: -87.038 bonds (distance) P-C4' energy: -117.680 flat angles C4'-P-C4' energy: -113.837 flat angles P-C4'-P energy: -76.183 tors. eta vs tors. theta energy: -155.607 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: 1 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1758.009391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.009391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.009391 (E_RNA) where: Base-Base interactions energy: -1255.346 where: short stacking energy: -513.358 Base-Backbone interact. energy: -1.978 local terms energy: -500.685069 where: bonds (distance) C4'-P energy: -81.535 bonds (distance) P-C4' energy: -103.693 flat angles C4'-P-C4' energy: -106.416 flat angles P-C4'-P energy: -69.768 tors. eta vs tors. theta energy: -139.274 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: 5 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1673.712357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.712357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.712357 (E_RNA) where: Base-Base interactions energy: -1191.060 where: short stacking energy: -473.365 Base-Backbone interact. energy: 2.602 local terms energy: -485.253982 where: bonds (distance) C4'-P energy: -84.392 bonds (distance) P-C4' energy: -99.735 flat angles C4'-P-C4' energy: -104.127 flat angles P-C4'-P energy: -74.065 tors. eta vs tors. theta energy: -122.935 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: 6, replica: 4 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1605.139641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.139641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.139641 (E_RNA) where: Base-Base interactions energy: -1096.101 where: short stacking energy: -447.707 Base-Backbone interact. energy: -1.480 local terms energy: -507.558462 where: bonds (distance) C4'-P energy: -93.158 bonds (distance) P-C4' energy: -113.826 flat angles C4'-P-C4' energy: -104.879 flat angles P-C4'-P energy: -69.361 tors. eta vs tors. theta energy: -126.334 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: 7, replica: 9 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1544.076386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.076386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.076386 (E_RNA) where: Base-Base interactions energy: -1055.060 where: short stacking energy: -441.588 Base-Backbone interact. energy: -0.163 local terms energy: -488.853397 where: bonds (distance) C4'-P energy: -95.933 bonds (distance) P-C4' energy: -93.199 flat angles C4'-P-C4' energy: -104.467 flat angles P-C4'-P energy: -69.460 tors. eta vs tors. theta energy: -125.794 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: 8, replica: 10 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1329.492801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.492801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.492801 (E_RNA) where: Base-Base interactions energy: -874.766 where: short stacking energy: -346.660 Base-Backbone interact. energy: -1.708 local terms energy: -453.018810 where: bonds (distance) C4'-P energy: -99.164 bonds (distance) P-C4' energy: -112.914 flat angles C4'-P-C4' energy: -97.610 flat angles P-C4'-P energy: -59.596 tors. eta vs tors. theta energy: -83.736 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: 9, replica: 6 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1265.075753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.075753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.075753 (E_RNA) where: Base-Base interactions energy: -820.537 where: short stacking energy: -358.517 Base-Backbone interact. energy: -1.017 local terms energy: -443.520988 where: bonds (distance) C4'-P energy: -91.633 bonds (distance) P-C4' energy: -99.669 flat angles C4'-P-C4' energy: -91.726 flat angles P-C4'-P energy: -73.182 tors. eta vs tors. theta energy: -87.311 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: 7 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -1114.495190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.495190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.495190 (E_RNA) where: Base-Base interactions energy: -710.995 where: short stacking energy: -314.711 Base-Backbone interact. energy: 2.353 local terms energy: -405.852909 where: bonds (distance) C4'-P energy: -86.371 bonds (distance) P-C4' energy: -106.883 flat angles C4'-P-C4' energy: -80.547 flat angles P-C4'-P energy: -66.485 tors. eta vs tors. theta energy: -65.568 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: 1, replica: 3 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1926.959485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.959485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.959485 (E_RNA) where: Base-Base interactions energy: -1362.009 where: short stacking energy: -571.169 Base-Backbone interact. energy: -3.014 local terms energy: -561.936771 where: bonds (distance) C4'-P energy: -96.557 bonds (distance) P-C4' energy: -112.094 flat angles C4'-P-C4' energy: -119.456 flat angles P-C4'-P energy: -75.443 tors. eta vs tors. theta energy: -158.386 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: 2, replica: 8 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1888.519617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.519617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.519617 (E_RNA) where: Base-Base interactions energy: -1329.124 where: short stacking energy: -544.788 Base-Backbone interact. energy: -2.694 local terms energy: -556.701226 where: bonds (distance) C4'-P energy: -102.637 bonds (distance) P-C4' energy: -106.508 flat angles C4'-P-C4' energy: -108.426 flat angles P-C4'-P energy: -81.533 tors. eta vs tors. theta energy: -157.597 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: 3, replica: 2 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1861.777175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.777175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.777175 (E_RNA) where: Base-Base interactions energy: -1294.684 where: short stacking energy: -539.955 Base-Backbone interact. energy: 1.208 local terms energy: -568.301586 where: bonds (distance) C4'-P energy: -86.467 bonds (distance) P-C4' energy: -119.320 flat angles C4'-P-C4' energy: -120.451 flat angles P-C4'-P energy: -82.414 tors. eta vs tors. theta energy: -159.649 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: 1 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1776.570442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.570442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.570442 (E_RNA) where: Base-Base interactions energy: -1230.802 where: short stacking energy: -500.327 Base-Backbone interact. energy: -1.713 local terms energy: -544.054906 where: bonds (distance) C4'-P energy: -100.398 bonds (distance) P-C4' energy: -103.230 flat angles C4'-P-C4' energy: -112.860 flat angles P-C4'-P energy: -78.054 tors. eta vs tors. theta energy: -149.513 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: 5 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1716.285998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.285998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.285998 (E_RNA) where: Base-Base interactions energy: -1203.469 where: short stacking energy: -492.465 Base-Backbone interact. energy: 5.830 local terms energy: -518.647482 where: bonds (distance) C4'-P energy: -99.658 bonds (distance) P-C4' energy: -106.923 flat angles C4'-P-C4' energy: -103.208 flat angles P-C4'-P energy: -72.925 tors. eta vs tors. theta energy: -135.933 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: 6, replica: 4 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1623.138157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.138157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.138157 (E_RNA) where: Base-Base interactions energy: -1138.265 where: short stacking energy: -472.314 Base-Backbone interact. energy: -1.682 local terms energy: -483.191755 where: bonds (distance) C4'-P energy: -86.467 bonds (distance) P-C4' energy: -105.185 flat angles C4'-P-C4' energy: -97.682 flat angles P-C4'-P energy: -67.963 tors. eta vs tors. theta energy: -125.895 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: 9 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1506.574456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.574456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.574456 (E_RNA) where: Base-Base interactions energy: -1015.823 where: short stacking energy: -439.556 Base-Backbone interact. energy: -0.652 local terms energy: -490.099194 where: bonds (distance) C4'-P energy: -78.481 bonds (distance) P-C4' energy: -108.762 flat angles C4'-P-C4' energy: -110.007 flat angles P-C4'-P energy: -75.818 tors. eta vs tors. theta energy: -117.032 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: 10 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1349.914364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.914364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.914364 (E_RNA) where: Base-Base interactions energy: -912.934 where: short stacking energy: -393.293 Base-Backbone interact. energy: 1.555 local terms energy: -438.535560 where: bonds (distance) C4'-P energy: -88.226 bonds (distance) P-C4' energy: -108.824 flat angles C4'-P-C4' energy: -81.727 flat angles P-C4'-P energy: -59.191 tors. eta vs tors. theta energy: -100.567 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: 292 Temperature: 1.300000 Total energy: -1300.539451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.539451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.539451 (E_RNA) where: Base-Base interactions energy: -863.315 where: short stacking energy: -372.789 Base-Backbone interact. energy: -1.627 local terms energy: -435.597086 where: bonds (distance) C4'-P energy: -84.210 bonds (distance) P-C4' energy: -103.097 flat angles C4'-P-C4' energy: -100.552 flat angles P-C4'-P energy: -60.938 tors. eta vs tors. theta energy: -86.800 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: 7 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -1150.859056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.859056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.859056 (E_RNA) where: Base-Base interactions energy: -743.639 where: short stacking energy: -314.555 Base-Backbone interact. energy: -1.246 local terms energy: -405.973966 where: bonds (distance) C4'-P energy: -69.198 bonds (distance) P-C4' energy: -111.596 flat angles C4'-P-C4' energy: -88.545 flat angles P-C4'-P energy: -70.848 tors. eta vs tors. theta energy: -65.787 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: 1, replica: 3 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1922.787964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.787964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.787964 (E_RNA) where: Base-Base interactions energy: -1333.383 where: short stacking energy: -560.549 Base-Backbone interact. energy: -2.842 local terms energy: -586.562135 where: bonds (distance) C4'-P energy: -107.244 bonds (distance) P-C4' energy: -115.746 flat angles C4'-P-C4' energy: -113.434 flat angles P-C4'-P energy: -90.307 tors. eta vs tors. theta energy: -159.831 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: 8 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1889.559124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.559124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.559124 (E_RNA) where: Base-Base interactions energy: -1324.927 where: short stacking energy: -553.492 Base-Backbone interact. energy: -1.408 local terms energy: -563.223359 where: bonds (distance) C4'-P energy: -90.389 bonds (distance) P-C4' energy: -118.573 flat angles C4'-P-C4' energy: -121.002 flat angles P-C4'-P energy: -77.827 tors. eta vs tors. theta energy: -155.433 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: 2 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1837.395597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.395597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.395597 (E_RNA) where: Base-Base interactions energy: -1285.724 where: short stacking energy: -511.835 Base-Backbone interact. energy: 0.333 local terms energy: -552.004614 where: bonds (distance) C4'-P energy: -102.442 bonds (distance) P-C4' energy: -105.038 flat angles C4'-P-C4' energy: -111.666 flat angles P-C4'-P energy: -76.928 tors. eta vs tors. theta energy: -155.930 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: 4, replica: 1 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1768.612262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.612262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.612262 (E_RNA) where: Base-Base interactions energy: -1235.506 where: short stacking energy: -513.997 Base-Backbone interact. energy: -2.488 local terms energy: -530.617767 where: bonds (distance) C4'-P energy: -97.984 bonds (distance) P-C4' energy: -109.477 flat angles C4'-P-C4' energy: -113.062 flat angles P-C4'-P energy: -73.398 tors. eta vs tors. theta energy: -136.697 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: 5, replica: 5 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1675.133008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.133008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.133008 (E_RNA) where: Base-Base interactions energy: -1181.037 where: short stacking energy: -490.449 Base-Backbone interact. energy: -0.538 local terms energy: -493.557702 where: bonds (distance) C4'-P energy: -90.363 bonds (distance) P-C4' energy: -95.276 flat angles C4'-P-C4' energy: -113.728 flat angles P-C4'-P energy: -64.093 tors. eta vs tors. theta energy: -130.097 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: 6, replica: 4 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1620.824024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.824024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.824024 (E_RNA) where: Base-Base interactions energy: -1129.387 where: short stacking energy: -464.564 Base-Backbone interact. energy: -3.397 local terms energy: -488.040516 where: bonds (distance) C4'-P energy: -78.496 bonds (distance) P-C4' energy: -105.736 flat angles C4'-P-C4' energy: -107.235 flat angles P-C4'-P energy: -77.861 tors. eta vs tors. theta energy: -118.712 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: 9 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1503.067234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.067234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.067234 (E_RNA) where: Base-Base interactions energy: -1042.919 where: short stacking energy: -442.099 Base-Backbone interact. energy: -1.085 local terms energy: -459.063484 where: bonds (distance) C4'-P energy: -88.599 bonds (distance) P-C4' energy: -104.313 flat angles C4'-P-C4' energy: -100.469 flat angles P-C4'-P energy: -55.907 tors. eta vs tors. theta energy: -109.777 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: 8, replica: 6 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1314.089282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.089282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.089282 (E_RNA) where: Base-Base interactions energy: -882.930 where: short stacking energy: -390.849 Base-Backbone interact. energy: 4.193 local terms energy: -435.352022 where: bonds (distance) C4'-P energy: -78.406 bonds (distance) P-C4' energy: -104.491 flat angles C4'-P-C4' energy: -98.873 flat angles P-C4'-P energy: -66.287 tors. eta vs tors. theta energy: -87.295 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: 10 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1259.499542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.499542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.499542 (E_RNA) where: Base-Base interactions energy: -829.172 where: short stacking energy: -351.292 Base-Backbone interact. energy: 4.720 local terms energy: -435.047268 where: bonds (distance) C4'-P energy: -94.994 bonds (distance) P-C4' energy: -100.416 flat angles C4'-P-C4' energy: -99.905 flat angles P-C4'-P energy: -70.515 tors. eta vs tors. theta energy: -69.217 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: 7 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -1141.642285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.642285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.642285 (E_RNA) where: Base-Base interactions energy: -756.456 where: short stacking energy: -328.550 Base-Backbone interact. energy: 0.187 local terms energy: -385.372610 where: bonds (distance) C4'-P energy: -76.937 bonds (distance) P-C4' energy: -98.275 flat angles C4'-P-C4' energy: -82.875 flat angles P-C4'-P energy: -67.091 tors. eta vs tors. theta energy: -60.194 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: 8 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1910.937503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.937503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.937503 (E_RNA) where: Base-Base interactions energy: -1349.197 where: short stacking energy: -553.791 Base-Backbone interact. energy: 0.472 local terms energy: -562.212232 where: bonds (distance) C4'-P energy: -102.871 bonds (distance) P-C4' energy: -108.295 flat angles C4'-P-C4' energy: -115.116 flat angles P-C4'-P energy: -76.874 tors. eta vs tors. theta energy: -159.056 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: 2, replica: 3 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1884.296281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.296281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.296281 (E_RNA) where: Base-Base interactions energy: -1325.573 where: short stacking energy: -548.108 Base-Backbone interact. energy: -0.901 local terms energy: -557.822205 where: bonds (distance) C4'-P energy: -107.940 bonds (distance) P-C4' energy: -108.480 flat angles C4'-P-C4' energy: -109.064 flat angles P-C4'-P energy: -76.949 tors. eta vs tors. theta energy: -155.390 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: 3, replica: 2 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1848.050460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.050460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.050460 (E_RNA) where: Base-Base interactions energy: -1305.767 where: short stacking energy: -528.697 Base-Backbone interact. energy: -2.093 local terms energy: -540.190327 where: bonds (distance) C4'-P energy: -86.006 bonds (distance) P-C4' energy: -109.794 flat angles C4'-P-C4' energy: -117.288 flat angles P-C4'-P energy: -74.692 tors. eta vs tors. theta energy: -152.410 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: 1 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1765.264459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.264459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.264459 (E_RNA) where: Base-Base interactions energy: -1224.779 where: short stacking energy: -508.376 Base-Backbone interact. energy: 0.869 local terms energy: -541.353982 where: bonds (distance) C4'-P energy: -93.513 bonds (distance) P-C4' energy: -117.151 flat angles C4'-P-C4' energy: -113.955 flat angles P-C4'-P energy: -69.254 tors. eta vs tors. theta energy: -147.481 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: 4 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1683.057829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.057829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.057829 (E_RNA) where: Base-Base interactions energy: -1166.419 where: short stacking energy: -463.814 Base-Backbone interact. energy: -1.537 local terms energy: -515.102228 where: bonds (distance) C4'-P energy: -88.503 bonds (distance) P-C4' energy: -105.539 flat angles C4'-P-C4' energy: -114.232 flat angles P-C4'-P energy: -79.698 tors. eta vs tors. theta energy: -127.131 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: 6, replica: 5 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1661.801821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.801821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.801821 (E_RNA) where: Base-Base interactions energy: -1150.996 where: short stacking energy: -477.620 Base-Backbone interact. energy: -1.055 local terms energy: -509.751363 where: bonds (distance) C4'-P energy: -96.092 bonds (distance) P-C4' energy: -109.263 flat angles C4'-P-C4' energy: -106.361 flat angles P-C4'-P energy: -74.153 tors. eta vs tors. theta energy: -123.883 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: 7, replica: 9 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1490.794270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.794270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.794270 (E_RNA) where: Base-Base interactions energy: -1023.197 where: short stacking energy: -436.069 Base-Backbone interact. energy: -1.052 local terms energy: -466.545631 where: bonds (distance) C4'-P energy: -90.784 bonds (distance) P-C4' energy: -97.296 flat angles C4'-P-C4' energy: -99.486 flat angles P-C4'-P energy: -63.927 tors. eta vs tors. theta energy: -115.053 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: 8, replica: 6 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1274.523581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.523581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.523581 (E_RNA) where: Base-Base interactions energy: -850.458 where: short stacking energy: -355.700 Base-Backbone interact. energy: 2.074 local terms energy: -426.139613 where: bonds (distance) C4'-P energy: -80.461 bonds (distance) P-C4' energy: -96.664 flat angles C4'-P-C4' energy: -103.048 flat angles P-C4'-P energy: -72.824 tors. eta vs tors. theta energy: -73.143 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: 9, replica: 10 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1270.986586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.986586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.986586 (E_RNA) where: Base-Base interactions energy: -833.466 where: short stacking energy: -367.667 Base-Backbone interact. energy: 3.113 local terms energy: -440.634204 where: bonds (distance) C4'-P energy: -72.770 bonds (distance) P-C4' energy: -112.261 flat angles C4'-P-C4' energy: -101.727 flat angles P-C4'-P energy: -68.728 tors. eta vs tors. theta energy: -85.148 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: 7 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -1123.783718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.783718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.783718 (E_RNA) where: Base-Base interactions energy: -718.556 where: short stacking energy: -308.656 Base-Backbone interact. energy: -2.722 local terms energy: -402.504910 where: bonds (distance) C4'-P energy: -84.127 bonds (distance) P-C4' energy: -100.133 flat angles C4'-P-C4' energy: -102.392 flat angles P-C4'-P energy: -62.746 tors. eta vs tors. theta energy: -53.107 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: 8 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1910.496932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.496932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.496932 (E_RNA) where: Base-Base interactions energy: -1343.040 where: short stacking energy: -548.382 Base-Backbone interact. energy: 1.532 local terms energy: -568.988256 where: bonds (distance) C4'-P energy: -99.425 bonds (distance) P-C4' energy: -110.007 flat angles C4'-P-C4' energy: -112.519 flat angles P-C4'-P energy: -90.381 tors. eta vs tors. theta energy: -156.656 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: 2, replica: 2 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1859.030510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.030510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.030510 (E_RNA) where: Base-Base interactions energy: -1307.486 where: short stacking energy: -542.587 Base-Backbone interact. energy: -2.558 local terms energy: -548.987044 where: bonds (distance) C4'-P energy: -93.290 bonds (distance) P-C4' energy: -108.264 flat angles C4'-P-C4' energy: -114.732 flat angles P-C4'-P energy: -72.567 tors. eta vs tors. theta energy: -160.134 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: 3 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1840.261281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.261281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.261281 (E_RNA) where: Base-Base interactions energy: -1284.678 where: short stacking energy: -536.189 Base-Backbone interact. energy: -1.517 local terms energy: -554.066746 where: bonds (distance) C4'-P energy: -93.542 bonds (distance) P-C4' energy: -110.239 flat angles C4'-P-C4' energy: -121.034 flat angles P-C4'-P energy: -79.770 tors. eta vs tors. theta energy: -149.482 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: 4, replica: 1 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1739.493562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.493562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.493562 (E_RNA) where: Base-Base interactions energy: -1201.787 where: short stacking energy: -511.164 Base-Backbone interact. energy: -2.007 local terms energy: -535.700395 where: bonds (distance) C4'-P energy: -103.644 bonds (distance) P-C4' energy: -105.188 flat angles C4'-P-C4' energy: -108.491 flat angles P-C4'-P energy: -75.429 tors. eta vs tors. theta energy: -142.948 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: 295 Temperature: 1.100000 Total energy: -1670.473144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.473144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.473144 (E_RNA) where: Base-Base interactions energy: -1170.944 where: short stacking energy: -476.848 Base-Backbone interact. energy: -1.572 local terms energy: -497.957609 where: bonds (distance) C4'-P energy: -86.280 bonds (distance) P-C4' energy: -100.688 flat angles C4'-P-C4' energy: -106.753 flat angles P-C4'-P energy: -78.195 tors. eta vs tors. theta energy: -126.041 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: 9 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1537.742949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.742949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.742949 (E_RNA) where: Base-Base interactions energy: -1053.739 where: short stacking energy: -432.689 Base-Backbone interact. energy: -1.025 local terms energy: -482.978455 where: bonds (distance) C4'-P energy: -95.387 bonds (distance) P-C4' energy: -101.073 flat angles C4'-P-C4' energy: -107.736 flat angles P-C4'-P energy: -62.499 tors. eta vs tors. theta energy: -116.283 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: 5 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1682.660644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.660644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.660644 (E_RNA) where: Base-Base interactions energy: -1179.922 where: short stacking energy: -479.919 Base-Backbone interact. energy: -1.759 local terms energy: -500.979055 where: bonds (distance) C4'-P energy: -96.733 bonds (distance) P-C4' energy: -90.485 flat angles C4'-P-C4' energy: -108.383 flat angles P-C4'-P energy: -75.558 tors. eta vs tors. theta energy: -129.820 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: 6 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1269.873398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.873398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.873398 (E_RNA) where: Base-Base interactions energy: -844.276 where: short stacking energy: -370.519 Base-Backbone interact. energy: -1.448 local terms energy: -424.148992 where: bonds (distance) C4'-P energy: -77.497 bonds (distance) P-C4' energy: -96.194 flat angles C4'-P-C4' energy: -92.974 flat angles P-C4'-P energy: -74.025 tors. eta vs tors. theta energy: -83.460 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: 10 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1276.794414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.794414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.794414 (E_RNA) where: Base-Base interactions energy: -876.658 where: short stacking energy: -365.446 Base-Backbone interact. energy: 4.829 local terms energy: -404.965743 where: bonds (distance) C4'-P energy: -62.833 bonds (distance) P-C4' energy: -101.011 flat angles C4'-P-C4' energy: -84.438 flat angles P-C4'-P energy: -74.392 tors. eta vs tors. theta energy: -82.292 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: 7 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -1130.605247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.605247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.605247 (E_RNA) where: Base-Base interactions energy: -716.312 where: short stacking energy: -328.914 Base-Backbone interact. energy: -0.091 local terms energy: -414.202143 where: bonds (distance) C4'-P energy: -88.457 bonds (distance) P-C4' energy: -93.035 flat angles C4'-P-C4' energy: -102.075 flat angles P-C4'-P energy: -63.553 tors. eta vs tors. theta energy: -67.083 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: 8 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1914.475047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.475047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.475047 (E_RNA) where: Base-Base interactions energy: -1343.624 where: short stacking energy: -556.906 Base-Backbone interact. energy: 1.074 local terms energy: -571.924695 where: bonds (distance) C4'-P energy: -104.156 bonds (distance) P-C4' energy: -111.446 flat angles C4'-P-C4' energy: -117.083 flat angles P-C4'-P energy: -83.472 tors. eta vs tors. theta energy: -155.768 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: 2, replica: 2 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1855.886172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.886172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.886172 (E_RNA) where: Base-Base interactions energy: -1304.163 where: short stacking energy: -548.244 Base-Backbone interact. energy: 0.024 local terms energy: -551.747066 where: bonds (distance) C4'-P energy: -97.669 bonds (distance) P-C4' energy: -116.217 flat angles C4'-P-C4' energy: -114.077 flat angles P-C4'-P energy: -70.092 tors. eta vs tors. theta energy: -153.693 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: 3 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1850.931123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.931123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.931123 (E_RNA) where: Base-Base interactions energy: -1308.247 where: short stacking energy: -540.387 Base-Backbone interact. energy: 0.243 local terms energy: -542.927475 where: bonds (distance) C4'-P energy: -98.164 bonds (distance) P-C4' energy: -108.936 flat angles C4'-P-C4' energy: -114.863 flat angles P-C4'-P energy: -73.004 tors. eta vs tors. theta energy: -147.960 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: 4, replica: 1 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1746.839761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.839761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.839761 (E_RNA) where: Base-Base interactions energy: -1227.183 where: short stacking energy: -504.874 Base-Backbone interact. energy: -0.864 local terms energy: -518.792861 where: bonds (distance) C4'-P energy: -85.318 bonds (distance) P-C4' energy: -107.992 flat angles C4'-P-C4' energy: -109.957 flat angles P-C4'-P energy: -75.535 tors. eta vs tors. theta energy: -139.991 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: 5, replica: 4 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1649.813127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.813127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.813127 (E_RNA) where: Base-Base interactions energy: -1144.300 where: short stacking energy: -453.294 Base-Backbone interact. energy: -0.054 local terms energy: -505.458954 where: bonds (distance) C4'-P energy: -96.590 bonds (distance) P-C4' energy: -97.599 flat angles C4'-P-C4' energy: -111.916 flat angles P-C4'-P energy: -73.628 tors. eta vs tors. theta energy: -125.727 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: 6, replica: 9 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1649.089977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.089977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.089977 (E_RNA) where: Base-Base interactions energy: -1118.679 where: short stacking energy: -466.409 Base-Backbone interact. energy: 0.469 local terms energy: -530.880154 where: bonds (distance) C4'-P energy: -104.284 bonds (distance) P-C4' energy: -98.847 flat angles C4'-P-C4' energy: -116.729 flat angles P-C4'-P energy: -78.022 tors. eta vs tors. theta energy: -132.998 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: 7, replica: 5 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1618.011094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.011094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.011094 (E_RNA) where: Base-Base interactions energy: -1136.309 where: short stacking energy: -456.180 Base-Backbone interact. energy: 1.033 local terms energy: -482.734979 where: bonds (distance) C4'-P energy: -79.802 bonds (distance) P-C4' energy: -101.759 flat angles C4'-P-C4' energy: -108.816 flat angles P-C4'-P energy: -71.719 tors. eta vs tors. theta energy: -120.639 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: 6 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1280.541829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.541829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.541829 (E_RNA) where: Base-Base interactions energy: -852.549 where: short stacking energy: -368.458 Base-Backbone interact. energy: 0.576 local terms energy: -428.569501 where: bonds (distance) C4'-P energy: -83.308 bonds (distance) P-C4' energy: -98.096 flat angles C4'-P-C4' energy: -95.298 flat angles P-C4'-P energy: -59.500 tors. eta vs tors. theta energy: -92.368 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: 10 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1271.283239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.283239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.283239 (E_RNA) where: Base-Base interactions energy: -831.138 where: short stacking energy: -368.044 Base-Backbone interact. energy: 4.090 local terms energy: -444.235188 where: bonds (distance) C4'-P energy: -84.662 bonds (distance) P-C4' energy: -99.356 flat angles C4'-P-C4' energy: -102.954 flat angles P-C4'-P energy: -72.418 tors. eta vs tors. theta energy: -84.846 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: 7 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -1089.260443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.260443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.260443 (E_RNA) where: Base-Base interactions energy: -683.114 where: short stacking energy: -307.877 Base-Backbone interact. energy: 0.336 local terms energy: -406.482204 where: bonds (distance) C4'-P energy: -85.314 bonds (distance) P-C4' energy: -102.762 flat angles C4'-P-C4' energy: -102.169 flat angles P-C4'-P energy: -56.148 tors. eta vs tors. theta energy: -60.089 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: 1, replica: 8 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1919.050364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.050364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.050364 (E_RNA) where: Base-Base interactions energy: -1353.901 where: short stacking energy: -556.286 Base-Backbone interact. energy: -0.893 local terms energy: -564.255691 where: bonds (distance) C4'-P energy: -96.237 bonds (distance) P-C4' energy: -110.151 flat angles C4'-P-C4' energy: -124.138 flat angles P-C4'-P energy: -80.588 tors. eta vs tors. theta energy: -153.141 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: 2, replica: 2 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1870.569288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.569288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.569288 (E_RNA) where: Base-Base interactions energy: -1325.171 where: short stacking energy: -545.172 Base-Backbone interact. energy: -0.616 local terms energy: -544.782340 where: bonds (distance) C4'-P energy: -89.180 bonds (distance) P-C4' energy: -108.809 flat angles C4'-P-C4' energy: -116.615 flat angles P-C4'-P energy: -81.703 tors. eta vs tors. theta energy: -148.475 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: 3, replica: 3 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1863.939895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.939895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.939895 (E_RNA) where: Base-Base interactions energy: -1317.577 where: short stacking energy: -547.432 Base-Backbone interact. energy: -1.097 local terms energy: -545.266024 where: bonds (distance) C4'-P energy: -96.338 bonds (distance) P-C4' energy: -109.465 flat angles C4'-P-C4' energy: -115.726 flat angles P-C4'-P energy: -74.948 tors. eta vs tors. theta energy: -148.789 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: 4, replica: 1 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1753.668736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.668736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.668736 (E_RNA) where: Base-Base interactions energy: -1228.415 where: short stacking energy: -505.321 Base-Backbone interact. energy: 2.279 local terms energy: -527.533178 where: bonds (distance) C4'-P energy: -98.832 bonds (distance) P-C4' energy: -94.711 flat angles C4'-P-C4' energy: -117.502 flat angles P-C4'-P energy: -78.635 tors. eta vs tors. theta energy: -137.854 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: 297 Temperature: 1.100000 Total energy: -1651.465449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.465449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.465449 (E_RNA) where: Base-Base interactions energy: -1148.696 where: short stacking energy: -490.634 Base-Backbone interact. energy: 2.662 local terms energy: -505.431484 where: bonds (distance) C4'-P energy: -94.834 bonds (distance) P-C4' energy: -111.028 flat angles C4'-P-C4' energy: -94.413 flat angles P-C4'-P energy: -68.095 tors. eta vs tors. theta energy: -137.061 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: 6, replica: 9 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1617.102436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.102436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.102436 (E_RNA) where: Base-Base interactions energy: -1102.068 where: short stacking energy: -475.033 Base-Backbone interact. energy: -2.160 local terms energy: -512.874819 where: bonds (distance) C4'-P energy: -95.647 bonds (distance) P-C4' energy: -102.510 flat angles C4'-P-C4' energy: -113.647 flat angles P-C4'-P energy: -77.958 tors. eta vs tors. theta energy: -123.113 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: 5 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1610.160286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.160286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.160286 (E_RNA) where: Base-Base interactions energy: -1116.037 where: short stacking energy: -455.519 Base-Backbone interact. energy: 3.654 local terms energy: -497.777347 where: bonds (distance) C4'-P energy: -89.747 bonds (distance) P-C4' energy: -103.222 flat angles C4'-P-C4' energy: -106.315 flat angles P-C4'-P energy: -72.982 tors. eta vs tors. theta energy: -125.512 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: 10 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1282.390418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.390418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.390418 (E_RNA) where: Base-Base interactions energy: -850.716 where: short stacking energy: -380.348 Base-Backbone interact. energy: 2.691 local terms energy: -434.364748 where: bonds (distance) C4'-P energy: -79.695 bonds (distance) P-C4' energy: -101.240 flat angles C4'-P-C4' energy: -98.184 flat angles P-C4'-P energy: -67.056 tors. eta vs tors. theta energy: -88.189 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: 297 Temperature: 1.300000 Total energy: -1253.205949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.205949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.205949 (E_RNA) where: Base-Base interactions energy: -819.456 where: short stacking energy: -354.928 Base-Backbone interact. energy: -1.262 local terms energy: -432.488202 where: bonds (distance) C4'-P energy: -98.436 bonds (distance) P-C4' energy: -107.946 flat angles C4'-P-C4' energy: -101.478 flat angles P-C4'-P energy: -48.381 tors. eta vs tors. theta energy: -76.248 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: 10, replica: 7 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -1117.945708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.945708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.945708 (E_RNA) where: Base-Base interactions energy: -733.580 where: short stacking energy: -332.095 Base-Backbone interact. energy: 11.909 local terms energy: -396.274863 where: bonds (distance) C4'-P energy: -87.470 bonds (distance) P-C4' energy: -98.343 flat angles C4'-P-C4' energy: -87.732 flat angles P-C4'-P energy: -56.095 tors. eta vs tors. theta energy: -66.635 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: 8 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1917.515224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.515224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.515224 (E_RNA) where: Base-Base interactions energy: -1339.768 where: short stacking energy: -554.185 Base-Backbone interact. energy: -0.351 local terms energy: -577.395886 where: bonds (distance) C4'-P energy: -105.048 bonds (distance) P-C4' energy: -109.948 flat angles C4'-P-C4' energy: -124.973 flat angles P-C4'-P energy: -83.750 tors. eta vs tors. theta energy: -153.677 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: 2 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1876.625345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.625345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.625345 (E_RNA) where: Base-Base interactions energy: -1321.536 where: short stacking energy: -553.866 Base-Backbone interact. energy: 3.246 local terms energy: -558.335533 where: bonds (distance) C4'-P energy: -97.100 bonds (distance) P-C4' energy: -107.876 flat angles C4'-P-C4' energy: -121.672 flat angles P-C4'-P energy: -76.531 tors. eta vs tors. theta energy: -155.157 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: 3, replica: 3 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1839.353910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.353910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.353910 (E_RNA) where: Base-Base interactions energy: -1301.924 where: short stacking energy: -534.103 Base-Backbone interact. energy: -2.262 local terms energy: -535.168006 where: bonds (distance) C4'-P energy: -104.662 bonds (distance) P-C4' energy: -102.952 flat angles C4'-P-C4' energy: -110.237 flat angles P-C4'-P energy: -77.053 tors. eta vs tors. theta energy: -140.264 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: 4, replica: 1 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1752.013132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.013132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.013132 (E_RNA) where: Base-Base interactions energy: -1210.766 where: short stacking energy: -498.406 Base-Backbone interact. energy: -2.714 local terms energy: -538.532678 where: bonds (distance) C4'-P energy: -100.249 bonds (distance) P-C4' energy: -108.715 flat angles C4'-P-C4' energy: -106.538 flat angles P-C4'-P energy: -82.823 tors. eta vs tors. theta energy: -140.208 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: 4 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1667.309991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.309991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.309991 (E_RNA) where: Base-Base interactions energy: -1154.775 where: short stacking energy: -487.019 Base-Backbone interact. energy: 0.661 local terms energy: -513.195753 where: bonds (distance) C4'-P energy: -96.199 bonds (distance) P-C4' energy: -100.263 flat angles C4'-P-C4' energy: -112.511 flat angles P-C4'-P energy: -67.925 tors. eta vs tors. theta energy: -136.297 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: 9 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1655.126351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.126351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.126351 (E_RNA) where: Base-Base interactions energy: -1141.980 where: short stacking energy: -485.650 Base-Backbone interact. energy: 2.941 local terms energy: -516.086656 where: bonds (distance) C4'-P energy: -104.013 bonds (distance) P-C4' energy: -96.470 flat angles C4'-P-C4' energy: -107.739 flat angles P-C4'-P energy: -81.616 tors. eta vs tors. theta energy: -126.248 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: 7, replica: 5 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1583.782597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.782597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.782597 (E_RNA) where: Base-Base interactions energy: -1116.287 where: short stacking energy: -451.000 Base-Backbone interact. energy: 1.357 local terms energy: -468.852246 where: bonds (distance) C4'-P energy: -74.642 bonds (distance) P-C4' energy: -100.681 flat angles C4'-P-C4' energy: -102.160 flat angles P-C4'-P energy: -75.318 tors. eta vs tors. theta energy: -116.052 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: 8, replica: 10 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1273.272337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.272337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.272337 (E_RNA) where: Base-Base interactions energy: -839.351 where: short stacking energy: -359.311 Base-Backbone interact. energy: -0.165 local terms energy: -433.756489 where: bonds (distance) C4'-P energy: -88.985 bonds (distance) P-C4' energy: -108.065 flat angles C4'-P-C4' energy: -100.883 flat angles P-C4'-P energy: -63.957 tors. eta vs tors. theta energy: -71.867 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: 9, replica: 6 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1285.254668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.254668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.254668 (E_RNA) where: Base-Base interactions energy: -863.225 where: short stacking energy: -371.681 Base-Backbone interact. energy: 2.479 local terms energy: -424.509076 where: bonds (distance) C4'-P energy: -74.827 bonds (distance) P-C4' energy: -99.826 flat angles C4'-P-C4' energy: -106.202 flat angles P-C4'-P energy: -60.206 tors. eta vs tors. theta energy: -83.448 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: 10, replica: 7 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -1102.886757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.886757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.886757 (E_RNA) where: Base-Base interactions energy: -710.237 where: short stacking energy: -317.416 Base-Backbone interact. energy: 1.499 local terms energy: -394.148738 where: bonds (distance) C4'-P energy: -77.474 bonds (distance) P-C4' energy: -102.837 flat angles C4'-P-C4' energy: -94.108 flat angles P-C4'-P energy: -58.508 tors. eta vs tors. theta energy: -61.222 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: 1, replica: 8 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1913.988147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.988147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.988147 (E_RNA) where: Base-Base interactions energy: -1325.370 where: short stacking energy: -562.647 Base-Backbone interact. energy: 0.847 local terms energy: -589.465746 where: bonds (distance) C4'-P energy: -100.450 bonds (distance) P-C4' energy: -117.464 flat angles C4'-P-C4' energy: -123.536 flat angles P-C4'-P energy: -86.478 tors. eta vs tors. theta energy: -161.537 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: 2 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1892.131263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.131263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.131263 (E_RNA) where: Base-Base interactions energy: -1333.524 where: short stacking energy: -553.992 Base-Backbone interact. energy: -1.840 local terms energy: -556.766451 where: bonds (distance) C4'-P energy: -107.768 bonds (distance) P-C4' energy: -108.246 flat angles C4'-P-C4' energy: -112.299 flat angles P-C4'-P energy: -80.609 tors. eta vs tors. theta energy: -147.843 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: 3, replica: 3 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1871.685982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.685982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.685982 (E_RNA) where: Base-Base interactions energy: -1322.843 where: short stacking energy: -543.550 Base-Backbone interact. energy: -0.188 local terms energy: -548.655753 where: bonds (distance) C4'-P energy: -92.881 bonds (distance) P-C4' energy: -106.509 flat angles C4'-P-C4' energy: -119.685 flat angles P-C4'-P energy: -78.242 tors. eta vs tors. theta energy: -151.338 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: 4, replica: 1 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1768.175717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.175717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.175717 (E_RNA) where: Base-Base interactions energy: -1235.476 where: short stacking energy: -519.211 Base-Backbone interact. energy: -3.092 local terms energy: -529.607296 where: bonds (distance) C4'-P energy: -97.024 bonds (distance) P-C4' energy: -103.525 flat angles C4'-P-C4' energy: -108.837 flat angles P-C4'-P energy: -79.623 tors. eta vs tors. theta energy: -140.598 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: 5, replica: 4 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1635.674185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.674185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.674185 (E_RNA) where: Base-Base interactions energy: -1141.168 where: short stacking energy: -454.289 Base-Backbone interact. energy: 6.437 local terms energy: -500.943678 where: bonds (distance) C4'-P energy: -97.413 bonds (distance) P-C4' energy: -102.804 flat angles C4'-P-C4' energy: -110.793 flat angles P-C4'-P energy: -65.915 tors. eta vs tors. theta energy: -124.019 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: 6, replica: 9 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1657.590047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.590047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.590047 (E_RNA) where: Base-Base interactions energy: -1149.264 where: short stacking energy: -486.807 Base-Backbone interact. energy: -0.001 local terms energy: -508.324841 where: bonds (distance) C4'-P energy: -99.380 bonds (distance) P-C4' energy: -105.342 flat angles C4'-P-C4' energy: -110.362 flat angles P-C4'-P energy: -68.426 tors. eta vs tors. theta energy: -124.814 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: 7, replica: 5 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1571.723540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.723540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.723540 (E_RNA) where: Base-Base interactions energy: -1097.128 where: short stacking energy: -445.246 Base-Backbone interact. energy: 3.085 local terms energy: -477.680351 where: bonds (distance) C4'-P energy: -102.396 bonds (distance) P-C4' energy: -101.115 flat angles C4'-P-C4' energy: -94.888 flat angles P-C4'-P energy: -62.202 tors. eta vs tors. theta energy: -117.081 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: 8, replica: 6 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1328.388700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.388700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.388700 (E_RNA) where: Base-Base interactions energy: -871.480 where: short stacking energy: -370.169 Base-Backbone interact. energy: -1.491 local terms energy: -455.418149 where: bonds (distance) C4'-P energy: -99.821 bonds (distance) P-C4' energy: -103.913 flat angles C4'-P-C4' energy: -95.758 flat angles P-C4'-P energy: -61.694 tors. eta vs tors. theta energy: -94.232 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: 9, replica: 10 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1245.427653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.427653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.427653 (E_RNA) where: Base-Base interactions energy: -810.448 where: short stacking energy: -370.596 Base-Backbone interact. energy: 4.020 local terms energy: -439.000196 where: bonds (distance) C4'-P energy: -87.371 bonds (distance) P-C4' energy: -94.652 flat angles C4'-P-C4' energy: -93.232 flat angles P-C4'-P energy: -77.982 tors. eta vs tors. theta energy: -85.762 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: 10, replica: 7 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -1128.746197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.746197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.746197 (E_RNA) where: Base-Base interactions energy: -721.312 where: short stacking energy: -317.788 Base-Backbone interact. energy: 2.867 local terms energy: -410.301888 where: bonds (distance) C4'-P energy: -80.024 bonds (distance) P-C4' energy: -97.188 flat angles C4'-P-C4' energy: -103.131 flat angles P-C4'-P energy: -64.164 tors. eta vs tors. theta energy: -65.795 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: 1, replica: 2 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1902.139565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.139565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.139565 (E_RNA) where: Base-Base interactions energy: -1345.849 where: short stacking energy: -559.302 Base-Backbone interact. energy: 1.147 local terms energy: -557.437884 where: bonds (distance) C4'-P energy: -99.683 bonds (distance) P-C4' energy: -112.608 flat angles C4'-P-C4' energy: -116.334 flat angles P-C4'-P energy: -79.899 tors. eta vs tors. theta energy: -148.913 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: 8 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1879.439873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.439873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.439873 (E_RNA) where: Base-Base interactions energy: -1315.576 where: short stacking energy: -538.231 Base-Backbone interact. energy: -2.753 local terms energy: -561.110776 where: bonds (distance) C4'-P energy: -99.827 bonds (distance) P-C4' energy: -109.424 flat angles C4'-P-C4' energy: -118.830 flat angles P-C4'-P energy: -80.223 tors. eta vs tors. theta energy: -152.807 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: 3 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1877.232768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.232768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.232768 (E_RNA) where: Base-Base interactions energy: -1313.421 where: short stacking energy: -540.599 Base-Backbone interact. energy: -2.895 local terms energy: -560.916843 where: bonds (distance) C4'-P energy: -97.894 bonds (distance) P-C4' energy: -110.400 flat angles C4'-P-C4' energy: -114.577 flat angles P-C4'-P energy: -78.961 tors. eta vs tors. theta energy: -159.084 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: 4, replica: 1 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1782.628592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.628592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.628592 (E_RNA) where: Base-Base interactions energy: -1251.896 where: short stacking energy: -507.989 Base-Backbone interact. energy: -3.262 local terms energy: -527.470857 where: bonds (distance) C4'-P energy: -94.849 bonds (distance) P-C4' energy: -107.118 flat angles C4'-P-C4' energy: -108.975 flat angles P-C4'-P energy: -74.949 tors. eta vs tors. theta energy: -141.579 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: 5, replica: 9 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1674.332522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.332522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.332522 (E_RNA) where: Base-Base interactions energy: -1177.671 where: short stacking energy: -489.110 Base-Backbone interact. energy: 3.518 local terms energy: -500.178607 where: bonds (distance) C4'-P energy: -94.624 bonds (distance) P-C4' energy: -105.828 flat angles C4'-P-C4' energy: -110.594 flat angles P-C4'-P energy: -55.998 tors. eta vs tors. theta energy: -133.134 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: 6, replica: 4 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1620.392140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.392140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.392140 (E_RNA) where: Base-Base interactions energy: -1105.753 where: short stacking energy: -457.605 Base-Backbone interact. energy: 0.794 local terms energy: -515.433676 where: bonds (distance) C4'-P energy: -83.897 bonds (distance) P-C4' energy: -109.033 flat angles C4'-P-C4' energy: -110.959 flat angles P-C4'-P energy: -77.300 tors. eta vs tors. theta energy: -134.245 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: 5 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1574.074119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.074119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.074119 (E_RNA) where: Base-Base interactions energy: -1090.794 where: short stacking energy: -439.467 Base-Backbone interact. energy: 1.306 local terms energy: -484.585235 where: bonds (distance) C4'-P energy: -98.218 bonds (distance) P-C4' energy: -99.811 flat angles C4'-P-C4' energy: -103.767 flat angles P-C4'-P energy: -71.878 tors. eta vs tors. theta energy: -110.911 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: 6 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1289.458579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.458579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.458579 (E_RNA) where: Base-Base interactions energy: -876.477 where: short stacking energy: -378.876 Base-Backbone interact. energy: -0.171 local terms energy: -412.810237 where: bonds (distance) C4'-P energy: -87.629 bonds (distance) P-C4' energy: -96.603 flat angles C4'-P-C4' energy: -79.514 flat angles P-C4'-P energy: -68.362 tors. eta vs tors. theta energy: -80.703 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: 9, replica: 10 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1215.829661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.829661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.829661 (E_RNA) where: Base-Base interactions energy: -803.251 where: short stacking energy: -348.707 Base-Backbone interact. energy: 1.659 local terms energy: -414.237953 where: bonds (distance) C4'-P energy: -95.875 bonds (distance) P-C4' energy: -90.199 flat angles C4'-P-C4' energy: -100.359 flat angles P-C4'-P energy: -50.731 tors. eta vs tors. theta energy: -77.074 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: 7 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -1112.984726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.984726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.984726 (E_RNA) where: Base-Base interactions energy: -740.822 where: short stacking energy: -305.359 Base-Backbone interact. energy: 0.032 local terms energy: -372.194426 where: bonds (distance) C4'-P energy: -83.122 bonds (distance) P-C4' energy: -97.816 flat angles C4'-P-C4' energy: -68.408 flat angles P-C4'-P energy: -59.789 tors. eta vs tors. theta energy: -63.059 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: 1, replica: 2 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1912.813292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.813292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.813292 (E_RNA) where: Base-Base interactions energy: -1359.842 where: short stacking energy: -559.062 Base-Backbone interact. energy: 0.080 local terms energy: -553.052145 where: bonds (distance) C4'-P energy: -100.634 bonds (distance) P-C4' energy: -110.600 flat angles C4'-P-C4' energy: -110.845 flat angles P-C4'-P energy: -79.607 tors. eta vs tors. theta energy: -151.367 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: 2, replica: 8 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1898.785983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.785983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.785983 (E_RNA) where: Base-Base interactions energy: -1321.991 where: short stacking energy: -541.895 Base-Backbone interact. energy: -1.136 local terms energy: -575.659192 where: bonds (distance) C4'-P energy: -101.818 bonds (distance) P-C4' energy: -118.254 flat angles C4'-P-C4' energy: -119.301 flat angles P-C4'-P energy: -77.708 tors. eta vs tors. theta energy: -158.578 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: 3 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1856.514782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.514782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.514782 (E_RNA) where: Base-Base interactions energy: -1297.625 where: short stacking energy: -544.918 Base-Backbone interact. energy: -2.258 local terms energy: -556.632670 where: bonds (distance) C4'-P energy: -101.994 bonds (distance) P-C4' energy: -108.485 flat angles C4'-P-C4' energy: -117.441 flat angles P-C4'-P energy: -80.174 tors. eta vs tors. theta energy: -148.539 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: 4, replica: 1 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1758.518959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.518959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.518959 (E_RNA) where: Base-Base interactions energy: -1239.598 where: short stacking energy: -491.962 Base-Backbone interact. energy: -2.289 local terms energy: -516.632607 where: bonds (distance) C4'-P energy: -89.948 bonds (distance) P-C4' energy: -108.758 flat angles C4'-P-C4' energy: -100.209 flat angles P-C4'-P energy: -77.667 tors. eta vs tors. theta energy: -140.050 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: 9 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1679.601510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.601510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.601510 (E_RNA) where: Base-Base interactions energy: -1155.198 where: short stacking energy: -483.387 Base-Backbone interact. energy: -0.706 local terms energy: -523.697719 where: bonds (distance) C4'-P energy: -97.296 bonds (distance) P-C4' energy: -97.691 flat angles C4'-P-C4' energy: -119.167 flat angles P-C4'-P energy: -77.039 tors. eta vs tors. theta energy: -132.505 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: 6, replica: 5 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1579.598601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.598601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.598601 (E_RNA) where: Base-Base interactions energy: -1115.488 where: short stacking energy: -465.782 Base-Backbone interact. energy: -0.499 local terms energy: -463.611282 where: bonds (distance) C4'-P energy: -95.051 bonds (distance) P-C4' energy: -99.998 flat angles C4'-P-C4' energy: -89.595 flat angles P-C4'-P energy: -66.435 tors. eta vs tors. theta energy: -112.532 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: 7, replica: 4 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1600.049012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.049012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.049012 (E_RNA) where: Base-Base interactions energy: -1120.204 where: short stacking energy: -474.309 Base-Backbone interact. energy: 3.491 local terms energy: -483.335145 where: bonds (distance) C4'-P energy: -91.681 bonds (distance) P-C4' energy: -101.250 flat angles C4'-P-C4' energy: -100.041 flat angles P-C4'-P energy: -74.281 tors. eta vs tors. theta energy: -116.082 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: 8, replica: 6 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1306.181578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.181578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.181578 (E_RNA) where: Base-Base interactions energy: -867.169 where: short stacking energy: -364.567 Base-Backbone interact. energy: -1.252 local terms energy: -437.760464 where: bonds (distance) C4'-P energy: -86.459 bonds (distance) P-C4' energy: -105.228 flat angles C4'-P-C4' energy: -96.293 flat angles P-C4'-P energy: -65.064 tors. eta vs tors. theta energy: -84.717 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: 9, replica: 10 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1264.390759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.390759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.390759 (E_RNA) where: Base-Base interactions energy: -823.871 where: short stacking energy: -364.873 Base-Backbone interact. energy: 3.998 local terms energy: -444.517651 where: bonds (distance) C4'-P energy: -88.047 bonds (distance) P-C4' energy: -105.430 flat angles C4'-P-C4' energy: -103.357 flat angles P-C4'-P energy: -58.661 tors. eta vs tors. theta energy: -89.023 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: 10, replica: 7 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -1109.183230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.183230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.183230 (E_RNA) where: Base-Base interactions energy: -708.230 where: short stacking energy: -320.515 Base-Backbone interact. energy: 1.406 local terms energy: -402.359121 where: bonds (distance) C4'-P energy: -106.396 bonds (distance) P-C4' energy: -99.712 flat angles C4'-P-C4' energy: -88.809 flat angles P-C4'-P energy: -51.752 tors. eta vs tors. theta energy: -55.690 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: 1, replica: 2 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1904.208501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.208501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.208501 (E_RNA) where: Base-Base interactions energy: -1338.996 where: short stacking energy: -553.262 Base-Backbone interact. energy: -0.670 local terms energy: -564.542607 where: bonds (distance) C4'-P energy: -88.092 bonds (distance) P-C4' energy: -120.184 flat angles C4'-P-C4' energy: -115.980 flat angles P-C4'-P energy: -82.566 tors. eta vs tors. theta energy: -157.721 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: 2, replica: 8 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1895.658907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.658907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.658907 (E_RNA) where: Base-Base interactions energy: -1339.770 where: short stacking energy: -545.603 Base-Backbone interact. energy: 8.104 local terms energy: -563.993051 where: bonds (distance) C4'-P energy: -94.917 bonds (distance) P-C4' energy: -110.819 flat angles C4'-P-C4' energy: -119.535 flat angles P-C4'-P energy: -76.257 tors. eta vs tors. theta energy: -162.465 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: 3 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1901.002788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.002788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.002788 (E_RNA) where: Base-Base interactions energy: -1339.661 where: short stacking energy: -560.039 Base-Backbone interact. energy: -3.014 local terms energy: -558.328196 where: bonds (distance) C4'-P energy: -94.809 bonds (distance) P-C4' energy: -104.621 flat angles C4'-P-C4' energy: -120.692 flat angles P-C4'-P energy: -79.805 tors. eta vs tors. theta energy: -158.401 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: 1 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1762.594624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.594624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.594624 (E_RNA) where: Base-Base interactions energy: -1223.417 where: short stacking energy: -524.065 Base-Backbone interact. energy: -0.295 local terms energy: -538.882058 where: bonds (distance) C4'-P energy: -95.990 bonds (distance) P-C4' energy: -111.985 flat angles C4'-P-C4' energy: -105.958 flat angles P-C4'-P energy: -78.205 tors. eta vs tors. theta energy: -146.745 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: 5, replica: 9 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1699.699145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.699145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.699145 (E_RNA) where: Base-Base interactions energy: -1171.476 where: short stacking energy: -485.686 Base-Backbone interact. energy: -1.343 local terms energy: -526.880087 where: bonds (distance) C4'-P energy: -104.277 bonds (distance) P-C4' energy: -103.323 flat angles C4'-P-C4' energy: -113.058 flat angles P-C4'-P energy: -76.016 tors. eta vs tors. theta energy: -130.206 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: 6, replica: 5 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1591.259681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.259681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.259681 (E_RNA) where: Base-Base interactions energy: -1115.623 where: short stacking energy: -456.448 Base-Backbone interact. energy: 3.179 local terms energy: -478.815253 where: bonds (distance) C4'-P energy: -95.923 bonds (distance) P-C4' energy: -96.132 flat angles C4'-P-C4' energy: -107.201 flat angles P-C4'-P energy: -64.986 tors. eta vs tors. theta energy: -114.573 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: 7, replica: 4 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1590.502094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.502094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.502094 (E_RNA) where: Base-Base interactions energy: -1127.085 where: short stacking energy: -433.114 Base-Backbone interact. energy: 4.887 local terms energy: -468.304157 where: bonds (distance) C4'-P energy: -84.902 bonds (distance) P-C4' energy: -111.270 flat angles C4'-P-C4' energy: -102.662 flat angles P-C4'-P energy: -67.923 tors. eta vs tors. theta energy: -101.548 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: 6 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1314.369341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.369341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.369341 (E_RNA) where: Base-Base interactions energy: -878.808 where: short stacking energy: -386.644 Base-Backbone interact. energy: 3.460 local terms energy: -439.021289 where: bonds (distance) C4'-P energy: -93.111 bonds (distance) P-C4' energy: -103.654 flat angles C4'-P-C4' energy: -99.801 flat angles P-C4'-P energy: -60.235 tors. eta vs tors. theta energy: -82.220 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: 9, replica: 10 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1263.862475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.862475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.862475 (E_RNA) where: Base-Base interactions energy: -822.199 where: short stacking energy: -350.142 Base-Backbone interact. energy: -0.821 local terms energy: -440.842036 where: bonds (distance) C4'-P energy: -88.673 bonds (distance) P-C4' energy: -105.218 flat angles C4'-P-C4' energy: -95.889 flat angles P-C4'-P energy: -61.178 tors. eta vs tors. theta energy: -89.884 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: 10, replica: 7 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -1087.005338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.005338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.005338 (E_RNA) where: Base-Base interactions energy: -715.558 where: short stacking energy: -326.028 Base-Backbone interact. energy: 2.520 local terms energy: -373.967437 where: bonds (distance) C4'-P energy: -79.690 bonds (distance) P-C4' energy: -102.988 flat angles C4'-P-C4' energy: -78.976 flat angles P-C4'-P energy: -50.326 tors. eta vs tors. theta energy: -61.987 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: 2 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1906.522129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.522129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.522129 (E_RNA) where: Base-Base interactions energy: -1338.929 where: short stacking energy: -558.330 Base-Backbone interact. energy: -1.993 local terms energy: -565.600215 where: bonds (distance) C4'-P energy: -99.314 bonds (distance) P-C4' energy: -108.976 flat angles C4'-P-C4' energy: -116.084 flat angles P-C4'-P energy: -82.529 tors. eta vs tors. theta energy: -158.697 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: 3 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1908.173827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.173827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.173827 (E_RNA) where: Base-Base interactions energy: -1353.697 where: short stacking energy: -560.193 Base-Backbone interact. energy: 4.253 local terms energy: -558.729827 where: bonds (distance) C4'-P energy: -98.207 bonds (distance) P-C4' energy: -105.161 flat angles C4'-P-C4' energy: -115.932 flat angles P-C4'-P energy: -82.555 tors. eta vs tors. theta energy: -156.875 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: 3, replica: 8 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1853.205935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.205935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.205935 (E_RNA) where: Base-Base interactions energy: -1323.728 where: short stacking energy: -529.776 Base-Backbone interact. energy: 0.969 local terms energy: -530.447141 where: bonds (distance) C4'-P energy: -88.911 bonds (distance) P-C4' energy: -112.059 flat angles C4'-P-C4' energy: -112.548 flat angles P-C4'-P energy: -65.216 tors. eta vs tors. theta energy: -151.712 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: 1 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1755.928090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.928090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.928090 (E_RNA) where: Base-Base interactions energy: -1204.222 where: short stacking energy: -504.981 Base-Backbone interact. energy: -0.117 local terms energy: -551.589444 where: bonds (distance) C4'-P energy: -106.520 bonds (distance) P-C4' energy: -102.883 flat angles C4'-P-C4' energy: -107.160 flat angles P-C4'-P energy: -89.344 tors. eta vs tors. theta energy: -145.683 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: 9 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1674.298782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.298782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.298782 (E_RNA) where: Base-Base interactions energy: -1178.927 where: short stacking energy: -489.292 Base-Backbone interact. energy: 0.615 local terms energy: -495.987195 where: bonds (distance) C4'-P energy: -87.081 bonds (distance) P-C4' energy: -94.455 flat angles C4'-P-C4' energy: -111.947 flat angles P-C4'-P energy: -71.704 tors. eta vs tors. theta energy: -130.800 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: 4 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1614.594060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.594060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.594060 (E_RNA) where: Base-Base interactions energy: -1119.794 where: short stacking energy: -484.675 Base-Backbone interact. energy: 1.748 local terms energy: -496.547544 where: bonds (distance) C4'-P energy: -88.883 bonds (distance) P-C4' energy: -109.272 flat angles C4'-P-C4' energy: -109.035 flat angles P-C4'-P energy: -62.890 tors. eta vs tors. theta energy: -126.467 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: 7, replica: 5 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1540.601918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.601918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.601918 (E_RNA) where: Base-Base interactions energy: -1082.635 where: short stacking energy: -426.726 Base-Backbone interact. energy: 1.417 local terms energy: -459.383604 where: bonds (distance) C4'-P energy: -92.916 bonds (distance) P-C4' energy: -104.166 flat angles C4'-P-C4' energy: -98.140 flat angles P-C4'-P energy: -59.580 tors. eta vs tors. theta energy: -104.582 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: 8, replica: 10 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1303.576638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.576638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.576638 (E_RNA) where: Base-Base interactions energy: -881.343 where: short stacking energy: -385.249 Base-Backbone interact. energy: 0.119 local terms energy: -422.353172 where: bonds (distance) C4'-P energy: -92.633 bonds (distance) P-C4' energy: -105.879 flat angles C4'-P-C4' energy: -79.525 flat angles P-C4'-P energy: -60.293 tors. eta vs tors. theta energy: -84.023 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: 303 Temperature: 1.300000 Total energy: -1241.768160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.768160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.768160 (E_RNA) where: Base-Base interactions energy: -832.353 where: short stacking energy: -347.785 Base-Backbone interact. energy: 3.343 local terms energy: -412.758184 where: bonds (distance) C4'-P energy: -92.909 bonds (distance) P-C4' energy: -95.452 flat angles C4'-P-C4' energy: -95.022 flat angles P-C4'-P energy: -57.455 tors. eta vs tors. theta energy: -71.921 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: 10, replica: 7 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -1100.058401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.058401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.058401 (E_RNA) where: Base-Base interactions energy: -704.471 where: short stacking energy: -320.506 Base-Backbone interact. energy: -2.280 local terms energy: -393.307904 where: bonds (distance) C4'-P energy: -81.933 bonds (distance) P-C4' energy: -112.989 flat angles C4'-P-C4' energy: -95.063 flat angles P-C4'-P energy: -46.735 tors. eta vs tors. theta energy: -56.587 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: 2 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1911.905389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.905389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.905389 (E_RNA) where: Base-Base interactions energy: -1340.895 where: short stacking energy: -555.560 Base-Backbone interact. energy: -0.584 local terms energy: -570.427316 where: bonds (distance) C4'-P energy: -97.649 bonds (distance) P-C4' energy: -115.583 flat angles C4'-P-C4' energy: -120.570 flat angles P-C4'-P energy: -81.493 tors. eta vs tors. theta energy: -155.132 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: 2, replica: 3 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1917.549288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.549288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.549288 (E_RNA) where: Base-Base interactions energy: -1337.632 where: short stacking energy: -560.233 Base-Backbone interact. energy: -0.594 local terms energy: -579.324111 where: bonds (distance) C4'-P energy: -102.721 bonds (distance) P-C4' energy: -112.694 flat angles C4'-P-C4' energy: -122.034 flat angles P-C4'-P energy: -80.612 tors. eta vs tors. theta energy: -161.264 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: 8 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1838.020228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.020228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.020228 (E_RNA) where: Base-Base interactions energy: -1303.893 where: short stacking energy: -538.025 Base-Backbone interact. energy: 0.717 local terms energy: -534.844780 where: bonds (distance) C4'-P energy: -90.962 bonds (distance) P-C4' energy: -115.710 flat angles C4'-P-C4' energy: -107.370 flat angles P-C4'-P energy: -68.248 tors. eta vs tors. theta energy: -152.555 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: 4, replica: 1 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1774.267949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.267949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.267949 (E_RNA) where: Base-Base interactions energy: -1214.702 where: short stacking energy: -513.000 Base-Backbone interact. energy: -2.725 local terms energy: -556.841435 where: bonds (distance) C4'-P energy: -103.545 bonds (distance) P-C4' energy: -107.450 flat angles C4'-P-C4' energy: -113.896 flat angles P-C4'-P energy: -81.968 tors. eta vs tors. theta energy: -149.982 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: 5, replica: 9 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1658.788777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.788777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.788777 (E_RNA) where: Base-Base interactions energy: -1154.292 where: short stacking energy: -481.834 Base-Backbone interact. energy: -0.784 local terms energy: -503.713164 where: bonds (distance) C4'-P energy: -83.210 bonds (distance) P-C4' energy: -99.175 flat angles C4'-P-C4' energy: -110.444 flat angles P-C4'-P energy: -76.673 tors. eta vs tors. theta energy: -134.211 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: 4 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1632.456030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.456030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.456030 (E_RNA) where: Base-Base interactions energy: -1144.963 where: short stacking energy: -473.355 Base-Backbone interact. energy: -1.708 local terms energy: -485.785198 where: bonds (distance) C4'-P energy: -91.005 bonds (distance) P-C4' energy: -94.553 flat angles C4'-P-C4' energy: -104.110 flat angles P-C4'-P energy: -61.574 tors. eta vs tors. theta energy: -134.543 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: 5 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1560.227108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.227108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.227108 (E_RNA) where: Base-Base interactions energy: -1097.682 where: short stacking energy: -438.976 Base-Backbone interact. energy: 3.742 local terms energy: -466.287411 where: bonds (distance) C4'-P energy: -93.729 bonds (distance) P-C4' energy: -100.596 flat angles C4'-P-C4' energy: -89.249 flat angles P-C4'-P energy: -63.921 tors. eta vs tors. theta energy: -118.792 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: 10 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1276.437569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.437569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.437569 (E_RNA) where: Base-Base interactions energy: -841.663 where: short stacking energy: -366.454 Base-Backbone interact. energy: -2.173 local terms energy: -432.601191 where: bonds (distance) C4'-P energy: -87.423 bonds (distance) P-C4' energy: -90.102 flat angles C4'-P-C4' energy: -104.702 flat angles P-C4'-P energy: -69.593 tors. eta vs tors. theta energy: -80.781 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: 9, replica: 6 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1241.733751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.733751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.733751 (E_RNA) where: Base-Base interactions energy: -815.421 where: short stacking energy: -324.525 Base-Backbone interact. energy: -0.855 local terms energy: -425.457434 where: bonds (distance) C4'-P energy: -90.209 bonds (distance) P-C4' energy: -103.946 flat angles C4'-P-C4' energy: -105.166 flat angles P-C4'-P energy: -53.769 tors. eta vs tors. theta energy: -72.367 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: 10, replica: 7 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -1084.201154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.201154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.201154 (E_RNA) where: Base-Base interactions energy: -699.476 where: short stacking energy: -306.817 Base-Backbone interact. energy: -0.574 local terms energy: -384.151613 where: bonds (distance) C4'-P energy: -79.954 bonds (distance) P-C4' energy: -109.420 flat angles C4'-P-C4' energy: -91.315 flat angles P-C4'-P energy: -45.619 tors. eta vs tors. theta energy: -57.843 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: 2 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1919.293499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.293499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.293499 (E_RNA) where: Base-Base interactions energy: -1349.130 where: short stacking energy: -551.178 Base-Backbone interact. energy: 0.101 local terms energy: -570.264710 where: bonds (distance) C4'-P energy: -89.205 bonds (distance) P-C4' energy: -116.044 flat angles C4'-P-C4' energy: -119.236 flat angles P-C4'-P energy: -87.950 tors. eta vs tors. theta energy: -157.829 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: 2, replica: 3 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1905.947826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.947826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.947826 (E_RNA) where: Base-Base interactions energy: -1333.210 where: short stacking energy: -559.123 Base-Backbone interact. energy: 1.165 local terms energy: -573.902633 where: bonds (distance) C4'-P energy: -96.475 bonds (distance) P-C4' energy: -119.445 flat angles C4'-P-C4' energy: -120.087 flat angles P-C4'-P energy: -77.610 tors. eta vs tors. theta energy: -160.285 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: 3, replica: 8 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1860.989400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.989400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.989400 (E_RNA) where: Base-Base interactions energy: -1319.265 where: short stacking energy: -547.358 Base-Backbone interact. energy: 3.574 local terms energy: -545.298798 where: bonds (distance) C4'-P energy: -91.334 bonds (distance) P-C4' energy: -121.979 flat angles C4'-P-C4' energy: -106.041 flat angles P-C4'-P energy: -72.389 tors. eta vs tors. theta energy: -153.555 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: 4, replica: 1 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1780.042829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.042829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.042829 (E_RNA) where: Base-Base interactions energy: -1232.586 where: short stacking energy: -524.402 Base-Backbone interact. energy: 3.372 local terms energy: -550.828733 where: bonds (distance) C4'-P energy: -99.735 bonds (distance) P-C4' energy: -113.125 flat angles C4'-P-C4' energy: -115.229 flat angles P-C4'-P energy: -74.240 tors. eta vs tors. theta energy: -148.499 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: 5, replica: 9 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1656.386501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.386501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.386501 (E_RNA) where: Base-Base interactions energy: -1155.194 where: short stacking energy: -465.226 Base-Backbone interact. energy: -0.934 local terms energy: -500.258238 where: bonds (distance) C4'-P energy: -96.632 bonds (distance) P-C4' energy: -108.959 flat angles C4'-P-C4' energy: -99.919 flat angles P-C4'-P energy: -72.629 tors. eta vs tors. theta energy: -122.120 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: 6, replica: 4 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1677.150103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.150103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.150103 (E_RNA) where: Base-Base interactions energy: -1166.936 where: short stacking energy: -480.520 Base-Backbone interact. energy: 1.107 local terms energy: -511.321161 where: bonds (distance) C4'-P energy: -92.563 bonds (distance) P-C4' energy: -107.449 flat angles C4'-P-C4' energy: -97.658 flat angles P-C4'-P energy: -71.451 tors. eta vs tors. theta energy: -142.199 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: 7, replica: 5 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1606.305052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.305052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.305052 (E_RNA) where: Base-Base interactions energy: -1157.618 where: short stacking energy: -459.475 Base-Backbone interact. energy: 0.577 local terms energy: -449.263415 where: bonds (distance) C4'-P energy: -77.969 bonds (distance) P-C4' energy: -68.657 flat angles C4'-P-C4' energy: -112.916 flat angles P-C4'-P energy: -69.786 tors. eta vs tors. theta energy: -119.936 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: 10 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1277.086964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.086964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.086964 (E_RNA) where: Base-Base interactions energy: -868.040 where: short stacking energy: -350.096 Base-Backbone interact. energy: -1.412 local terms energy: -407.634316 where: bonds (distance) C4'-P energy: -87.124 bonds (distance) P-C4' energy: -81.994 flat angles C4'-P-C4' energy: -98.590 flat angles P-C4'-P energy: -64.375 tors. eta vs tors. theta energy: -75.551 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: 305 Temperature: 1.300000 Total energy: -1234.588956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.588956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.588956 (E_RNA) where: Base-Base interactions energy: -816.228 where: short stacking energy: -343.162 Base-Backbone interact. energy: 0.857 local terms energy: -419.218381 where: bonds (distance) C4'-P energy: -89.176 bonds (distance) P-C4' energy: -104.409 flat angles C4'-P-C4' energy: -90.020 flat angles P-C4'-P energy: -64.236 tors. eta vs tors. theta energy: -71.378 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: 7 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -1125.281936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.281936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.281936 (E_RNA) where: Base-Base interactions energy: -712.618 where: short stacking energy: -315.097 Base-Backbone interact. energy: 2.527 local terms energy: -415.191181 where: bonds (distance) C4'-P energy: -93.578 bonds (distance) P-C4' energy: -95.274 flat angles C4'-P-C4' energy: -97.156 flat angles P-C4'-P energy: -55.641 tors. eta vs tors. theta energy: -73.542 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: 2 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1901.090740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.090740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.090740 (E_RNA) where: Base-Base interactions energy: -1322.419 where: short stacking energy: -541.569 Base-Backbone interact. energy: 0.175 local terms energy: -578.846955 where: bonds (distance) C4'-P energy: -102.348 bonds (distance) P-C4' energy: -115.749 flat angles C4'-P-C4' energy: -126.128 flat angles P-C4'-P energy: -76.922 tors. eta vs tors. theta energy: -157.700 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: 3 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1910.908131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.908131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.908131 (E_RNA) where: Base-Base interactions energy: -1324.352 where: short stacking energy: -544.386 Base-Backbone interact. energy: 0.084 local terms energy: -586.640127 where: bonds (distance) C4'-P energy: -103.941 bonds (distance) P-C4' energy: -120.678 flat angles C4'-P-C4' energy: -118.570 flat angles P-C4'-P energy: -82.289 tors. eta vs tors. theta energy: -161.163 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: 3, replica: 8 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1837.017831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.017831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.017831 (E_RNA) where: Base-Base interactions energy: -1292.563 where: short stacking energy: -535.122 Base-Backbone interact. energy: 2.413 local terms energy: -546.868027 where: bonds (distance) C4'-P energy: -92.441 bonds (distance) P-C4' energy: -105.812 flat angles C4'-P-C4' energy: -112.989 flat angles P-C4'-P energy: -81.639 tors. eta vs tors. theta energy: -153.987 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: 4, replica: 1 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1772.772178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.772178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.772178 (E_RNA) where: Base-Base interactions energy: -1267.656 where: short stacking energy: -523.974 Base-Backbone interact. energy: 5.271 local terms energy: -510.387810 where: bonds (distance) C4'-P energy: -87.329 bonds (distance) P-C4' energy: -101.812 flat angles C4'-P-C4' energy: -110.608 flat angles P-C4'-P energy: -63.470 tors. eta vs tors. theta energy: -147.170 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: 9 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1666.459574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.459574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.459574 (E_RNA) where: Base-Base interactions energy: -1152.898 where: short stacking energy: -484.582 Base-Backbone interact. energy: 3.495 local terms energy: -517.056377 where: bonds (distance) C4'-P energy: -97.385 bonds (distance) P-C4' energy: -109.645 flat angles C4'-P-C4' energy: -105.065 flat angles P-C4'-P energy: -72.863 tors. eta vs tors. theta energy: -132.098 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: 4 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1649.677663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.677663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.677663 (E_RNA) where: Base-Base interactions energy: -1158.582 where: short stacking energy: -473.928 Base-Backbone interact. energy: -2.053 local terms energy: -489.043293 where: bonds (distance) C4'-P energy: -77.489 bonds (distance) P-C4' energy: -102.383 flat angles C4'-P-C4' energy: -104.879 flat angles P-C4'-P energy: -68.259 tors. eta vs tors. theta energy: -136.033 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: 5 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1602.784860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.784860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.784860 (E_RNA) where: Base-Base interactions energy: -1147.396 where: short stacking energy: -457.274 Base-Backbone interact. energy: 5.259 local terms energy: -460.648567 where: bonds (distance) C4'-P energy: -76.056 bonds (distance) P-C4' energy: -93.107 flat angles C4'-P-C4' energy: -89.774 flat angles P-C4'-P energy: -76.238 tors. eta vs tors. theta energy: -125.474 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: 8, replica: 10 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1333.614690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.614690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.614690 (E_RNA) where: Base-Base interactions energy: -893.973 where: short stacking energy: -391.970 Base-Backbone interact. energy: 1.505 local terms energy: -441.146029 where: bonds (distance) C4'-P energy: -80.467 bonds (distance) P-C4' energy: -111.722 flat angles C4'-P-C4' energy: -100.074 flat angles P-C4'-P energy: -60.417 tors. eta vs tors. theta energy: -88.466 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: 9, replica: 6 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1247.394316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.394316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.394316 (E_RNA) where: Base-Base interactions energy: -840.184 where: short stacking energy: -368.452 Base-Backbone interact. energy: 2.334 local terms energy: -409.544496 where: bonds (distance) C4'-P energy: -85.402 bonds (distance) P-C4' energy: -93.994 flat angles C4'-P-C4' energy: -99.630 flat angles P-C4'-P energy: -57.696 tors. eta vs tors. theta energy: -72.822 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: 10, replica: 7 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -1096.012887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.012887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.012887 (E_RNA) where: Base-Base interactions energy: -716.927 where: short stacking energy: -307.795 Base-Backbone interact. energy: -0.143 local terms energy: -378.942438 where: bonds (distance) C4'-P energy: -76.227 bonds (distance) P-C4' energy: -111.923 flat angles C4'-P-C4' energy: -85.389 flat angles P-C4'-P energy: -44.092 tors. eta vs tors. theta energy: -61.312 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: 1, replica: 2 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1902.898192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.898192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.898192 (E_RNA) where: Base-Base interactions energy: -1323.904 where: short stacking energy: -544.393 Base-Backbone interact. energy: -0.895 local terms energy: -578.098836 where: bonds (distance) C4'-P energy: -97.763 bonds (distance) P-C4' energy: -116.204 flat angles C4'-P-C4' energy: -125.434 flat angles P-C4'-P energy: -82.116 tors. eta vs tors. theta energy: -156.582 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: 2, replica: 3 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1893.307834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.307834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.307834 (E_RNA) where: Base-Base interactions energy: -1317.473 where: short stacking energy: -550.595 Base-Backbone interact. energy: -1.996 local terms energy: -573.839275 where: bonds (distance) C4'-P energy: -98.059 bonds (distance) P-C4' energy: -115.184 flat angles C4'-P-C4' energy: -119.814 flat angles P-C4'-P energy: -82.852 tors. eta vs tors. theta energy: -157.930 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: 8 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1854.407431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.407431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.407431 (E_RNA) where: Base-Base interactions energy: -1291.426 where: short stacking energy: -534.259 Base-Backbone interact. energy: -0.529 local terms energy: -562.452708 where: bonds (distance) C4'-P energy: -89.236 bonds (distance) P-C4' energy: -115.026 flat angles C4'-P-C4' energy: -125.991 flat angles P-C4'-P energy: -73.366 tors. eta vs tors. theta energy: -158.835 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: 1 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1791.988942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.988942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.988942 (E_RNA) where: Base-Base interactions energy: -1243.987 where: short stacking energy: -507.220 Base-Backbone interact. energy: -0.465 local terms energy: -547.537236 where: bonds (distance) C4'-P energy: -100.281 bonds (distance) P-C4' energy: -113.986 flat angles C4'-P-C4' energy: -111.523 flat angles P-C4'-P energy: -78.290 tors. eta vs tors. theta energy: -143.457 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: 5, replica: 9 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1700.025969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.025969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.025969 (E_RNA) where: Base-Base interactions energy: -1198.921 where: short stacking energy: -502.635 Base-Backbone interact. energy: 2.569 local terms energy: -503.673716 where: bonds (distance) C4'-P energy: -82.766 bonds (distance) P-C4' energy: -113.432 flat angles C4'-P-C4' energy: -107.845 flat angles P-C4'-P energy: -58.763 tors. eta vs tors. theta energy: -140.868 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: 4 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1584.060921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.060921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.060921 (E_RNA) where: Base-Base interactions energy: -1101.127 where: short stacking energy: -443.485 Base-Backbone interact. energy: 2.021 local terms energy: -484.954451 where: bonds (distance) C4'-P energy: -94.462 bonds (distance) P-C4' energy: -107.069 flat angles C4'-P-C4' energy: -96.936 flat angles P-C4'-P energy: -70.357 tors. eta vs tors. theta energy: -116.130 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: 7, replica: 5 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1590.837876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.837876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.837876 (E_RNA) where: Base-Base interactions energy: -1099.303 where: short stacking energy: -450.449 Base-Backbone interact. energy: -2.125 local terms energy: -489.409995 where: bonds (distance) C4'-P energy: -85.543 bonds (distance) P-C4' energy: -106.896 flat angles C4'-P-C4' energy: -106.889 flat angles P-C4'-P energy: -73.960 tors. eta vs tors. theta energy: -116.121 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: 8, replica: 10 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1269.384124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.384124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.384124 (E_RNA) where: Base-Base interactions energy: -846.118 where: short stacking energy: -348.160 Base-Backbone interact. energy: 1.124 local terms energy: -424.390468 where: bonds (distance) C4'-P energy: -86.699 bonds (distance) P-C4' energy: -109.813 flat angles C4'-P-C4' energy: -99.153 flat angles P-C4'-P energy: -51.887 tors. eta vs tors. theta energy: -76.839 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: 307 Temperature: 1.300000 Total energy: -1266.133591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.133591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.133591 (E_RNA) where: Base-Base interactions energy: -845.221 where: short stacking energy: -368.700 Base-Backbone interact. energy: 0.375 local terms energy: -421.287645 where: bonds (distance) C4'-P energy: -75.737 bonds (distance) P-C4' energy: -99.874 flat angles C4'-P-C4' energy: -94.323 flat angles P-C4'-P energy: -69.912 tors. eta vs tors. theta energy: -81.441 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: 7 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -1120.921182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.921182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.921182 (E_RNA) where: Base-Base interactions energy: -713.163 where: short stacking energy: -328.397 Base-Backbone interact. energy: -0.369 local terms energy: -407.388885 where: bonds (distance) C4'-P energy: -80.781 bonds (distance) P-C4' energy: -103.066 flat angles C4'-P-C4' energy: -79.315 flat angles P-C4'-P energy: -70.340 tors. eta vs tors. theta energy: -73.886 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: 1, replica: 2 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1923.451470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.451470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.451470 (E_RNA) where: Base-Base interactions energy: -1336.651 where: short stacking energy: -564.269 Base-Backbone interact. energy: 0.505 local terms energy: -587.305376 where: bonds (distance) C4'-P energy: -98.485 bonds (distance) P-C4' energy: -118.836 flat angles C4'-P-C4' energy: -117.539 flat angles P-C4'-P energy: -88.579 tors. eta vs tors. theta energy: -163.866 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: 2, replica: 3 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1928.884422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.884422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.884422 (E_RNA) where: Base-Base interactions energy: -1354.530 where: short stacking energy: -559.907 Base-Backbone interact. energy: -1.269 local terms energy: -573.084915 where: bonds (distance) C4'-P energy: -92.694 bonds (distance) P-C4' energy: -118.512 flat angles C4'-P-C4' energy: -120.114 flat angles P-C4'-P energy: -82.715 tors. eta vs tors. theta energy: -159.050 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: 3, replica: 8 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1872.551820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.551820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.551820 (E_RNA) where: Base-Base interactions energy: -1303.640 where: short stacking energy: -547.611 Base-Backbone interact. energy: -3.408 local terms energy: -565.503542 where: bonds (distance) C4'-P energy: -98.291 bonds (distance) P-C4' energy: -116.881 flat angles C4'-P-C4' energy: -113.243 flat angles P-C4'-P energy: -77.917 tors. eta vs tors. theta energy: -159.172 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: 1 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1769.795645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.795645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.795645 (E_RNA) where: Base-Base interactions energy: -1254.993 where: short stacking energy: -518.698 Base-Backbone interact. energy: 2.021 local terms energy: -516.823029 where: bonds (distance) C4'-P energy: -94.090 bonds (distance) P-C4' energy: -97.830 flat angles C4'-P-C4' energy: -112.780 flat angles P-C4'-P energy: -70.603 tors. eta vs tors. theta energy: -141.520 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: 5, replica: 9 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1653.644866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.644866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.644866 (E_RNA) where: Base-Base interactions energy: -1147.219 where: short stacking energy: -485.818 Base-Backbone interact. energy: -0.329 local terms energy: -506.097650 where: bonds (distance) C4'-P energy: -95.919 bonds (distance) P-C4' energy: -112.521 flat angles C4'-P-C4' energy: -102.683 flat angles P-C4'-P energy: -67.666 tors. eta vs tors. theta energy: -127.309 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: 6, replica: 4 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1698.369898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.369898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.369898 (E_RNA) where: Base-Base interactions energy: -1184.827 where: short stacking energy: -486.174 Base-Backbone interact. energy: 2.034 local terms energy: -515.576821 where: bonds (distance) C4'-P energy: -90.973 bonds (distance) P-C4' energy: -96.947 flat angles C4'-P-C4' energy: -115.929 flat angles P-C4'-P energy: -73.005 tors. eta vs tors. theta energy: -138.723 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: 5 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1605.097323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.097323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.097323 (E_RNA) where: Base-Base interactions energy: -1129.247 where: short stacking energy: -467.092 Base-Backbone interact. energy: 1.068 local terms energy: -476.918676 where: bonds (distance) C4'-P energy: -77.584 bonds (distance) P-C4' energy: -100.277 flat angles C4'-P-C4' energy: -101.785 flat angles P-C4'-P energy: -66.823 tors. eta vs tors. theta energy: -130.450 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: 10 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1272.170219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.170219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.170219 (E_RNA) where: Base-Base interactions energy: -860.997 where: short stacking energy: -354.192 Base-Backbone interact. energy: 3.100 local terms energy: -414.273556 where: bonds (distance) C4'-P energy: -89.045 bonds (distance) P-C4' energy: -92.408 flat angles C4'-P-C4' energy: -101.211 flat angles P-C4'-P energy: -58.682 tors. eta vs tors. theta energy: -72.928 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: 9, replica: 7 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1163.987670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.987670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.987670 (E_RNA) where: Base-Base interactions energy: -762.877 where: short stacking energy: -334.963 Base-Backbone interact. energy: 1.340 local terms energy: -402.450633 where: bonds (distance) C4'-P energy: -84.636 bonds (distance) P-C4' energy: -95.294 flat angles C4'-P-C4' energy: -92.827 flat angles P-C4'-P energy: -55.136 tors. eta vs tors. theta energy: -74.558 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: 6 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -1160.205716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.205716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.205716 (E_RNA) where: Base-Base interactions energy: -766.837 where: short stacking energy: -339.481 Base-Backbone interact. energy: 2.826 local terms energy: -396.195246 where: bonds (distance) C4'-P energy: -87.358 bonds (distance) P-C4' energy: -98.669 flat angles C4'-P-C4' energy: -86.992 flat angles P-C4'-P energy: -59.948 tors. eta vs tors. theta energy: -63.229 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: 1, replica: 2 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1920.137925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.137925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.137925 (E_RNA) where: Base-Base interactions energy: -1359.246 where: short stacking energy: -571.121 Base-Backbone interact. energy: 0.911 local terms energy: -561.802457 where: bonds (distance) C4'-P energy: -94.207 bonds (distance) P-C4' energy: -108.513 flat angles C4'-P-C4' energy: -124.356 flat angles P-C4'-P energy: -81.266 tors. eta vs tors. theta energy: -153.461 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: 8 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1876.430744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.430744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.430744 (E_RNA) where: Base-Base interactions energy: -1305.273 where: short stacking energy: -549.078 Base-Backbone interact. energy: 1.289 local terms energy: -572.447410 where: bonds (distance) C4'-P energy: -95.117 bonds (distance) P-C4' energy: -110.719 flat angles C4'-P-C4' energy: -126.595 flat angles P-C4'-P energy: -79.285 tors. eta vs tors. theta energy: -160.731 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: 3, replica: 3 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1871.129618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.129618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.129618 (E_RNA) where: Base-Base interactions energy: -1309.290 where: short stacking energy: -542.481 Base-Backbone interact. energy: -0.494 local terms energy: -561.345602 where: bonds (distance) C4'-P energy: -104.254 bonds (distance) P-C4' energy: -114.618 flat angles C4'-P-C4' energy: -113.421 flat angles P-C4'-P energy: -71.289 tors. eta vs tors. theta energy: -157.763 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: 4, replica: 1 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1786.083261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.083261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.083261 (E_RNA) where: Base-Base interactions energy: -1252.614 where: short stacking energy: -516.459 Base-Backbone interact. energy: 1.044 local terms energy: -534.513966 where: bonds (distance) C4'-P energy: -100.067 bonds (distance) P-C4' energy: -102.476 flat angles C4'-P-C4' energy: -118.001 flat angles P-C4'-P energy: -73.232 tors. eta vs tors. theta energy: -140.739 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: 5, replica: 9 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1655.482179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.482179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.482179 (E_RNA) where: Base-Base interactions energy: -1140.149 where: short stacking energy: -498.501 Base-Backbone interact. energy: -0.333 local terms energy: -515.000745 where: bonds (distance) C4'-P energy: -90.296 bonds (distance) P-C4' energy: -107.955 flat angles C4'-P-C4' energy: -107.675 flat angles P-C4'-P energy: -66.183 tors. eta vs tors. theta energy: -142.891 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: 5 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1661.351053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.351053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.351053 (E_RNA) where: Base-Base interactions energy: -1164.658 where: short stacking energy: -466.271 Base-Backbone interact. energy: 0.518 local terms energy: -497.210987 where: bonds (distance) C4'-P energy: -94.223 bonds (distance) P-C4' energy: -110.817 flat angles C4'-P-C4' energy: -104.672 flat angles P-C4'-P energy: -59.870 tors. eta vs tors. theta energy: -127.629 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: 7, replica: 4 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1638.738725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.738725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.738725 (E_RNA) where: Base-Base interactions energy: -1150.499 where: short stacking energy: -478.778 Base-Backbone interact. energy: 4.322 local terms energy: -492.561402 where: bonds (distance) C4'-P energy: -77.642 bonds (distance) P-C4' energy: -114.581 flat angles C4'-P-C4' energy: -97.723 flat angles P-C4'-P energy: -70.986 tors. eta vs tors. theta energy: -131.629 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: 10 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1304.143501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.143501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.143501 (E_RNA) where: Base-Base interactions energy: -877.603 where: short stacking energy: -384.915 Base-Backbone interact. energy: 5.616 local terms energy: -432.157017 where: bonds (distance) C4'-P energy: -78.506 bonds (distance) P-C4' energy: -99.556 flat angles C4'-P-C4' energy: -102.477 flat angles P-C4'-P energy: -63.197 tors. eta vs tors. theta energy: -88.421 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: 9, replica: 7 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1185.922533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.922533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.922533 (E_RNA) where: Base-Base interactions energy: -788.375 where: short stacking energy: -350.759 Base-Backbone interact. energy: 2.469 local terms energy: -400.016441 where: bonds (distance) C4'-P energy: -75.086 bonds (distance) P-C4' energy: -89.677 flat angles C4'-P-C4' energy: -100.025 flat angles P-C4'-P energy: -62.216 tors. eta vs tors. theta energy: -73.012 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: 309 Temperature: 1.350000 Total energy: -1154.314245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.314245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.314245 (E_RNA) where: Base-Base interactions energy: -738.486 where: short stacking energy: -331.601 Base-Backbone interact. energy: 4.948 local terms energy: -420.775656 where: bonds (distance) C4'-P energy: -95.614 bonds (distance) P-C4' energy: -94.226 flat angles C4'-P-C4' energy: -98.228 flat angles P-C4'-P energy: -60.951 tors. eta vs tors. theta energy: -71.757 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: 2 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1925.360101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.360101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.360101 (E_RNA) where: Base-Base interactions energy: -1350.892 where: short stacking energy: -568.731 Base-Backbone interact. energy: -0.029 local terms energy: -574.438992 where: bonds (distance) C4'-P energy: -99.736 bonds (distance) P-C4' energy: -116.897 flat angles C4'-P-C4' energy: -113.763 flat angles P-C4'-P energy: -86.999 tors. eta vs tors. theta energy: -157.043 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: 8 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1894.972538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.972538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.972538 (E_RNA) where: Base-Base interactions energy: -1330.871 where: short stacking energy: -549.043 Base-Backbone interact. energy: -2.835 local terms energy: -561.266044 where: bonds (distance) C4'-P energy: -108.921 bonds (distance) P-C4' energy: -107.178 flat angles C4'-P-C4' energy: -111.429 flat angles P-C4'-P energy: -79.540 tors. eta vs tors. theta energy: -154.197 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: 3 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1874.261624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.261624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.261624 (E_RNA) where: Base-Base interactions energy: -1313.938 where: short stacking energy: -544.938 Base-Backbone interact. energy: -2.510 local terms energy: -557.813941 where: bonds (distance) C4'-P energy: -103.110 bonds (distance) P-C4' energy: -105.670 flat angles C4'-P-C4' energy: -117.681 flat angles P-C4'-P energy: -75.010 tors. eta vs tors. theta energy: -156.343 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: 310 Temperature: 1.050000 Total energy: -1758.940268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.940268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.940268 (E_RNA) where: Base-Base interactions energy: -1212.175 where: short stacking energy: -509.298 Base-Backbone interact. energy: -2.117 local terms energy: -544.648355 where: bonds (distance) C4'-P energy: -97.903 bonds (distance) P-C4' energy: -109.420 flat angles C4'-P-C4' energy: -110.497 flat angles P-C4'-P energy: -79.646 tors. eta vs tors. theta energy: -147.182 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: 5, replica: 9 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1679.601883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.601883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.601883 (E_RNA) where: Base-Base interactions energy: -1155.635 where: short stacking energy: -494.000 Base-Backbone interact. energy: 0.325 local terms energy: -524.291803 where: bonds (distance) C4'-P energy: -96.597 bonds (distance) P-C4' energy: -118.415 flat angles C4'-P-C4' energy: -103.021 flat angles P-C4'-P energy: -71.321 tors. eta vs tors. theta energy: -134.939 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: 6, replica: 5 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1609.432585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.432585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.432585 (E_RNA) where: Base-Base interactions energy: -1104.532 where: short stacking energy: -470.150 Base-Backbone interact. energy: -0.658 local terms energy: -504.242431 where: bonds (distance) C4'-P energy: -86.772 bonds (distance) P-C4' energy: -109.484 flat angles C4'-P-C4' energy: -109.655 flat angles P-C4'-P energy: -72.244 tors. eta vs tors. theta energy: -126.087 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: 4 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1608.654028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.654028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.654028 (E_RNA) where: Base-Base interactions energy: -1122.330 where: short stacking energy: -446.801 Base-Backbone interact. energy: -2.447 local terms energy: -483.877383 where: bonds (distance) C4'-P energy: -75.136 bonds (distance) P-C4' energy: -100.188 flat angles C4'-P-C4' energy: -109.784 flat angles P-C4'-P energy: -73.943 tors. eta vs tors. theta energy: -124.826 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: 10 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1282.159793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.159793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.159793 (E_RNA) where: Base-Base interactions energy: -861.163 where: short stacking energy: -367.509 Base-Backbone interact. energy: -0.010 local terms energy: -420.987140 where: bonds (distance) C4'-P energy: -73.710 bonds (distance) P-C4' energy: -88.357 flat angles C4'-P-C4' energy: -89.799 flat angles P-C4'-P energy: -77.284 tors. eta vs tors. theta energy: -91.837 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: 6 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1160.172407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.172407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.172407 (E_RNA) where: Base-Base interactions energy: -752.627 where: short stacking energy: -319.686 Base-Backbone interact. energy: -0.965 local terms energy: -406.579879 where: bonds (distance) C4'-P energy: -90.554 bonds (distance) P-C4' energy: -97.713 flat angles C4'-P-C4' energy: -103.205 flat angles P-C4'-P energy: -53.792 tors. eta vs tors. theta energy: -61.316 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: 10, replica: 7 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -1128.704051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.704051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.704051 (E_RNA) where: Base-Base interactions energy: -743.357 where: short stacking energy: -324.759 Base-Backbone interact. energy: 0.715 local terms energy: -386.062152 where: bonds (distance) C4'-P energy: -84.452 bonds (distance) P-C4' energy: -89.756 flat angles C4'-P-C4' energy: -92.169 flat angles P-C4'-P energy: -58.300 tors. eta vs tors. theta energy: -61.385 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: 1, replica: 2 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1914.338662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.338662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.338662 (E_RNA) where: Base-Base interactions energy: -1334.194 where: short stacking energy: -555.384 Base-Backbone interact. energy: -0.262 local terms energy: -579.882545 where: bonds (distance) C4'-P energy: -103.060 bonds (distance) P-C4' energy: -120.779 flat angles C4'-P-C4' energy: -124.041 flat angles P-C4'-P energy: -80.963 tors. eta vs tors. theta energy: -151.040 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: 2, replica: 3 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1897.590708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.590708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.590708 (E_RNA) where: Base-Base interactions energy: -1320.963 where: short stacking energy: -543.244 Base-Backbone interact. energy: -2.195 local terms energy: -574.432316 where: bonds (distance) C4'-P energy: -102.367 bonds (distance) P-C4' energy: -116.993 flat angles C4'-P-C4' energy: -111.436 flat angles P-C4'-P energy: -86.010 tors. eta vs tors. theta energy: -157.627 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: 8 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1872.125528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.125528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.125528 (E_RNA) where: Base-Base interactions energy: -1314.560 where: short stacking energy: -542.374 Base-Backbone interact. energy: 2.241 local terms energy: -559.805927 where: bonds (distance) C4'-P energy: -97.001 bonds (distance) P-C4' energy: -108.281 flat angles C4'-P-C4' energy: -116.831 flat angles P-C4'-P energy: -85.292 tors. eta vs tors. theta energy: -152.401 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: 1 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1777.733867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.733867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.733867 (E_RNA) where: Base-Base interactions energy: -1243.704 where: short stacking energy: -518.372 Base-Backbone interact. energy: 1.184 local terms energy: -535.213245 where: bonds (distance) C4'-P energy: -94.366 bonds (distance) P-C4' energy: -104.505 flat angles C4'-P-C4' energy: -110.753 flat angles P-C4'-P energy: -78.748 tors. eta vs tors. theta energy: -146.841 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: 9 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1666.124722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.124722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.124722 (E_RNA) where: Base-Base interactions energy: -1149.933 where: short stacking energy: -491.048 Base-Backbone interact. energy: -0.116 local terms energy: -516.075573 where: bonds (distance) C4'-P energy: -96.376 bonds (distance) P-C4' energy: -93.939 flat angles C4'-P-C4' energy: -118.455 flat angles P-C4'-P energy: -74.394 tors. eta vs tors. theta energy: -132.911 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: 4 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1615.432151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.432151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.432151 (E_RNA) where: Base-Base interactions energy: -1124.126 where: short stacking energy: -464.372 Base-Backbone interact. energy: -1.404 local terms energy: -489.902151 where: bonds (distance) C4'-P energy: -90.057 bonds (distance) P-C4' energy: -111.597 flat angles C4'-P-C4' energy: -91.476 flat angles P-C4'-P energy: -70.395 tors. eta vs tors. theta energy: -126.377 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: 5 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1602.576612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.576612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.576612 (E_RNA) where: Base-Base interactions energy: -1109.087 where: short stacking energy: -461.727 Base-Backbone interact. energy: 0.097 local terms energy: -493.586680 where: bonds (distance) C4'-P energy: -91.026 bonds (distance) P-C4' energy: -102.658 flat angles C4'-P-C4' energy: -106.688 flat angles P-C4'-P energy: -66.613 tors. eta vs tors. theta energy: -126.601 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: 8, replica: 10 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1270.219999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.219999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.219999 (E_RNA) where: Base-Base interactions energy: -835.740 where: short stacking energy: -363.629 Base-Backbone interact. energy: 1.241 local terms energy: -435.721506 where: bonds (distance) C4'-P energy: -87.032 bonds (distance) P-C4' energy: -112.515 flat angles C4'-P-C4' energy: -103.452 flat angles P-C4'-P energy: -56.035 tors. eta vs tors. theta energy: -76.687 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: 9, replica: 6 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1141.359954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.359954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.359954 (E_RNA) where: Base-Base interactions energy: -738.069 where: short stacking energy: -347.459 Base-Backbone interact. energy: 1.375 local terms energy: -404.666443 where: bonds (distance) C4'-P energy: -81.545 bonds (distance) P-C4' energy: -102.424 flat angles C4'-P-C4' energy: -94.381 flat angles P-C4'-P energy: -54.228 tors. eta vs tors. theta energy: -72.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -1109.245612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.245612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.245612 (E_RNA) where: Base-Base interactions energy: -706.631 where: short stacking energy: -319.522 Base-Backbone interact. energy: 0.660 local terms energy: -403.275350 where: bonds (distance) C4'-P energy: -87.495 bonds (distance) P-C4' energy: -93.811 flat angles C4'-P-C4' energy: -100.834 flat angles P-C4'-P energy: -62.904 tors. eta vs tors. theta energy: -58.231 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: 3 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1912.566435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.566435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.566435 (E_RNA) where: Base-Base interactions energy: -1355.540 where: short stacking energy: -546.458 Base-Backbone interact. energy: -0.645 local terms energy: -556.381189 where: bonds (distance) C4'-P energy: -97.630 bonds (distance) P-C4' energy: -111.635 flat angles C4'-P-C4' energy: -116.887 flat angles P-C4'-P energy: -76.900 tors. eta vs tors. theta energy: -153.329 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: 2, replica: 2 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1883.748933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.748933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.748933 (E_RNA) where: Base-Base interactions energy: -1319.101 where: short stacking energy: -540.709 Base-Backbone interact. energy: -1.520 local terms energy: -563.128473 where: bonds (distance) C4'-P energy: -101.278 bonds (distance) P-C4' energy: -111.507 flat angles C4'-P-C4' energy: -116.364 flat angles P-C4'-P energy: -82.096 tors. eta vs tors. theta energy: -151.883 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: 3, replica: 8 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1864.995076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.995076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.995076 (E_RNA) where: Base-Base interactions energy: -1321.121 where: short stacking energy: -534.630 Base-Backbone interact. energy: -0.300 local terms energy: -543.574405 where: bonds (distance) C4'-P energy: -88.825 bonds (distance) P-C4' energy: -100.308 flat angles C4'-P-C4' energy: -119.984 flat angles P-C4'-P energy: -76.821 tors. eta vs tors. theta energy: -157.636 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: 4, replica: 1 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1771.052256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.052256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.052256 (E_RNA) where: Base-Base interactions energy: -1220.058 where: short stacking energy: -495.376 Base-Backbone interact. energy: 0.795 local terms energy: -551.789409 where: bonds (distance) C4'-P energy: -106.754 bonds (distance) P-C4' energy: -109.671 flat angles C4'-P-C4' energy: -108.671 flat angles P-C4'-P energy: -79.853 tors. eta vs tors. theta energy: -146.840 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: 5, replica: 9 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1691.461033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.461033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.461033 (E_RNA) where: Base-Base interactions energy: -1160.995 where: short stacking energy: -486.682 Base-Backbone interact. energy: 1.327 local terms energy: -531.793652 where: bonds (distance) C4'-P energy: -96.317 bonds (distance) P-C4' energy: -112.471 flat angles C4'-P-C4' energy: -114.210 flat angles P-C4'-P energy: -69.307 tors. eta vs tors. theta energy: -139.488 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: 6, replica: 4 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1634.730896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.730896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.730896 (E_RNA) where: Base-Base interactions energy: -1151.930 where: short stacking energy: -457.852 Base-Backbone interact. energy: -0.222 local terms energy: -482.579551 where: bonds (distance) C4'-P energy: -93.984 bonds (distance) P-C4' energy: -100.662 flat angles C4'-P-C4' energy: -105.344 flat angles P-C4'-P energy: -66.690 tors. eta vs tors. theta energy: -115.900 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: 5 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1566.559187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.559187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.559187 (E_RNA) where: Base-Base interactions energy: -1088.287 where: short stacking energy: -439.608 Base-Backbone interact. energy: -0.242 local terms energy: -478.030113 where: bonds (distance) C4'-P energy: -97.208 bonds (distance) P-C4' energy: -107.872 flat angles C4'-P-C4' energy: -105.064 flat angles P-C4'-P energy: -57.661 tors. eta vs tors. theta energy: -110.225 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: 8, replica: 10 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1270.438271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.438271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.438271 (E_RNA) where: Base-Base interactions energy: -848.761 where: short stacking energy: -364.685 Base-Backbone interact. energy: -0.604 local terms energy: -421.073978 where: bonds (distance) C4'-P energy: -84.417 bonds (distance) P-C4' energy: -94.195 flat angles C4'-P-C4' energy: -96.080 flat angles P-C4'-P energy: -63.828 tors. eta vs tors. theta energy: -82.554 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: 9, replica: 7 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1127.664648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.664648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.664648 (E_RNA) where: Base-Base interactions energy: -733.750 where: short stacking energy: -324.910 Base-Backbone interact. energy: 6.700 local terms energy: -400.615547 where: bonds (distance) C4'-P energy: -85.319 bonds (distance) P-C4' energy: -111.328 flat angles C4'-P-C4' energy: -83.443 flat angles P-C4'-P energy: -63.444 tors. eta vs tors. theta energy: -57.082 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: 6 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -1106.384521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.384521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.384521 (E_RNA) where: Base-Base interactions energy: -736.979 where: short stacking energy: -322.744 Base-Backbone interact. energy: 2.055 local terms energy: -371.460701 where: bonds (distance) C4'-P energy: -70.463 bonds (distance) P-C4' energy: -93.058 flat angles C4'-P-C4' energy: -84.055 flat angles P-C4'-P energy: -59.962 tors. eta vs tors. theta energy: -63.922 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: 1, replica: 3 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1922.423265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.423265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.423265 (E_RNA) where: Base-Base interactions energy: -1360.100 where: short stacking energy: -552.043 Base-Backbone interact. energy: -1.276 local terms energy: -561.047592 where: bonds (distance) C4'-P energy: -99.925 bonds (distance) P-C4' energy: -107.174 flat angles C4'-P-C4' energy: -114.486 flat angles P-C4'-P energy: -85.461 tors. eta vs tors. theta energy: -154.002 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: 2, replica: 8 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1890.321550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.321550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.321550 (E_RNA) where: Base-Base interactions energy: -1326.910 where: short stacking energy: -546.097 Base-Backbone interact. energy: -0.437 local terms energy: -562.974415 where: bonds (distance) C4'-P energy: -94.694 bonds (distance) P-C4' energy: -119.057 flat angles C4'-P-C4' energy: -118.018 flat angles P-C4'-P energy: -78.571 tors. eta vs tors. theta energy: -152.635 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: 2 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1851.424989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.424989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.424989 (E_RNA) where: Base-Base interactions energy: -1304.945 where: short stacking energy: -544.093 Base-Backbone interact. energy: -2.383 local terms energy: -544.096891 where: bonds (distance) C4'-P energy: -90.830 bonds (distance) P-C4' energy: -98.442 flat angles C4'-P-C4' energy: -117.796 flat angles P-C4'-P energy: -80.441 tors. eta vs tors. theta energy: -156.587 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: 4, replica: 1 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1772.666086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.666086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.666086 (E_RNA) where: Base-Base interactions energy: -1232.406 where: short stacking energy: -526.270 Base-Backbone interact. energy: 1.978 local terms energy: -542.237844 where: bonds (distance) C4'-P energy: -99.937 bonds (distance) P-C4' energy: -107.020 flat angles C4'-P-C4' energy: -110.875 flat angles P-C4'-P energy: -75.945 tors. eta vs tors. theta energy: -148.461 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: 5, replica: 9 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1671.011931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.011931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.011931 (E_RNA) where: Base-Base interactions energy: -1174.498 where: short stacking energy: -508.064 Base-Backbone interact. energy: 0.706 local terms energy: -497.219825 where: bonds (distance) C4'-P energy: -91.385 bonds (distance) P-C4' energy: -101.322 flat angles C4'-P-C4' energy: -104.128 flat angles P-C4'-P energy: -69.334 tors. eta vs tors. theta energy: -131.051 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: 6, replica: 4 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1696.049520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.049520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.049520 (E_RNA) where: Base-Base interactions energy: -1204.828 where: short stacking energy: -486.870 Base-Backbone interact. energy: 4.131 local terms energy: -495.352414 where: bonds (distance) C4'-P energy: -84.626 bonds (distance) P-C4' energy: -95.232 flat angles C4'-P-C4' energy: -115.223 flat angles P-C4'-P energy: -74.764 tors. eta vs tors. theta energy: -125.508 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: 5 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1580.432630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.432630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.432630 (E_RNA) where: Base-Base interactions energy: -1105.374 where: short stacking energy: -449.846 Base-Backbone interact. energy: 5.412 local terms energy: -480.471022 where: bonds (distance) C4'-P energy: -75.782 bonds (distance) P-C4' energy: -100.814 flat angles C4'-P-C4' energy: -107.318 flat angles P-C4'-P energy: -81.080 tors. eta vs tors. theta energy: -115.476 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: 8, replica: 7 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1155.560589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.560589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.560589 (E_RNA) where: Base-Base interactions energy: -747.510 where: short stacking energy: -336.458 Base-Backbone interact. energy: -1.420 local terms energy: -406.630108 where: bonds (distance) C4'-P energy: -87.796 bonds (distance) P-C4' energy: -85.496 flat angles C4'-P-C4' energy: -101.945 flat angles P-C4'-P energy: -64.464 tors. eta vs tors. theta energy: -66.930 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: 9, replica: 10 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1254.497421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.497421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.497421 (E_RNA) where: Base-Base interactions energy: -804.001 where: short stacking energy: -344.249 Base-Backbone interact. energy: -0.197 local terms energy: -450.299099 where: bonds (distance) C4'-P energy: -87.570 bonds (distance) P-C4' energy: -105.833 flat angles C4'-P-C4' energy: -102.320 flat angles P-C4'-P energy: -68.299 tors. eta vs tors. theta energy: -86.278 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: 6 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -1092.992629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.992629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.992629 (E_RNA) where: Base-Base interactions energy: -683.344 where: short stacking energy: -302.553 Base-Backbone interact. energy: -1.566 local terms energy: -408.083321 where: bonds (distance) C4'-P energy: -90.729 bonds (distance) P-C4' energy: -105.001 flat angles C4'-P-C4' energy: -80.460 flat angles P-C4'-P energy: -69.806 tors. eta vs tors. theta energy: -62.087 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: 3 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1904.144301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.144301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.144301 (E_RNA) where: Base-Base interactions energy: -1348.413 where: short stacking energy: -562.297 Base-Backbone interact. energy: 7.202 local terms energy: -562.933054 where: bonds (distance) C4'-P energy: -102.788 bonds (distance) P-C4' energy: -109.107 flat angles C4'-P-C4' energy: -121.189 flat angles P-C4'-P energy: -74.225 tors. eta vs tors. theta energy: -155.624 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: 8 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1896.211527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.211527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.211527 (E_RNA) where: Base-Base interactions energy: -1335.868 where: short stacking energy: -555.307 Base-Backbone interact. energy: -3.002 local terms energy: -557.341455 where: bonds (distance) C4'-P energy: -95.806 bonds (distance) P-C4' energy: -101.741 flat angles C4'-P-C4' energy: -122.188 flat angles P-C4'-P energy: -79.141 tors. eta vs tors. theta energy: -158.465 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: 2 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1861.894524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.894524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.894524 (E_RNA) where: Base-Base interactions energy: -1306.502 where: short stacking energy: -547.099 Base-Backbone interact. energy: -2.781 local terms energy: -552.611461 where: bonds (distance) C4'-P energy: -88.291 bonds (distance) P-C4' energy: -115.848 flat angles C4'-P-C4' energy: -118.430 flat angles P-C4'-P energy: -81.679 tors. eta vs tors. theta energy: -148.364 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: 4, replica: 1 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1769.038411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.038411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.038411 (E_RNA) where: Base-Base interactions energy: -1229.454 where: short stacking energy: -530.156 Base-Backbone interact. energy: -0.834 local terms energy: -538.750975 where: bonds (distance) C4'-P energy: -88.124 bonds (distance) P-C4' energy: -107.614 flat angles C4'-P-C4' energy: -117.177 flat angles P-C4'-P energy: -73.653 tors. eta vs tors. theta energy: -152.184 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: 314 Temperature: 1.100000 Total energy: -1723.015806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.015806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.015806 (E_RNA) where: Base-Base interactions energy: -1187.930 where: short stacking energy: -486.007 Base-Backbone interact. energy: -0.575 local terms energy: -534.510096 where: bonds (distance) C4'-P energy: -88.274 bonds (distance) P-C4' energy: -106.988 flat angles C4'-P-C4' energy: -113.838 flat angles P-C4'-P energy: -81.553 tors. eta vs tors. theta energy: -143.858 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: 9 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1642.130344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.130344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.130344 (E_RNA) where: Base-Base interactions energy: -1153.138 where: short stacking energy: -482.029 Base-Backbone interact. energy: 0.988 local terms energy: -489.980105 where: bonds (distance) C4'-P energy: -87.869 bonds (distance) P-C4' energy: -101.757 flat angles C4'-P-C4' energy: -108.921 flat angles P-C4'-P energy: -67.118 tors. eta vs tors. theta energy: -124.315 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: 5 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1577.469757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.469757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.469757 (E_RNA) where: Base-Base interactions energy: -1106.779 where: short stacking energy: -458.954 Base-Backbone interact. energy: -1.169 local terms energy: -469.522193 where: bonds (distance) C4'-P energy: -82.082 bonds (distance) P-C4' energy: -101.285 flat angles C4'-P-C4' energy: -98.671 flat angles P-C4'-P energy: -71.143 tors. eta vs tors. theta energy: -116.341 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: 7 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1191.812073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.812073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.812073 (E_RNA) where: Base-Base interactions energy: -771.808 where: short stacking energy: -356.218 Base-Backbone interact. energy: 0.769 local terms energy: -420.772830 where: bonds (distance) C4'-P energy: -82.785 bonds (distance) P-C4' energy: -104.734 flat angles C4'-P-C4' energy: -84.280 flat angles P-C4'-P energy: -69.737 tors. eta vs tors. theta energy: -79.237 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: 314 Temperature: 1.300000 Total energy: -1259.796700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.796700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.796700 (E_RNA) where: Base-Base interactions energy: -843.680 where: short stacking energy: -352.084 Base-Backbone interact. energy: -1.391 local terms energy: -414.725629 where: bonds (distance) C4'-P energy: -92.921 bonds (distance) P-C4' energy: -86.325 flat angles C4'-P-C4' energy: -84.927 flat angles P-C4'-P energy: -69.269 tors. eta vs tors. theta energy: -81.284 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: 10, replica: 6 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -1137.553818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.553818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.553818 (E_RNA) where: Base-Base interactions energy: -725.865 where: short stacking energy: -324.399 Base-Backbone interact. energy: -2.874 local terms energy: -408.814616 where: bonds (distance) C4'-P energy: -87.303 bonds (distance) P-C4' energy: -92.393 flat angles C4'-P-C4' energy: -93.548 flat angles P-C4'-P energy: -65.112 tors. eta vs tors. theta energy: -70.458 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: 3 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1908.105401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.105401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.105401 (E_RNA) where: Base-Base interactions energy: -1339.000 where: short stacking energy: -566.788 Base-Backbone interact. energy: -1.055 local terms energy: -568.049849 where: bonds (distance) C4'-P energy: -97.414 bonds (distance) P-C4' energy: -115.262 flat angles C4'-P-C4' energy: -122.224 flat angles P-C4'-P energy: -74.860 tors. eta vs tors. theta energy: -158.290 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: 2, replica: 8 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1886.799611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.799611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.799611 (E_RNA) where: Base-Base interactions energy: -1314.481 where: short stacking energy: -546.434 Base-Backbone interact. energy: 2.360 local terms energy: -574.678684 where: bonds (distance) C4'-P energy: -104.399 bonds (distance) P-C4' energy: -108.664 flat angles C4'-P-C4' energy: -119.690 flat angles P-C4'-P energy: -85.450 tors. eta vs tors. theta energy: -156.475 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: 3, replica: 2 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1838.874785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.874785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.874785 (E_RNA) where: Base-Base interactions energy: -1289.510 where: short stacking energy: -524.729 Base-Backbone interact. energy: 1.217 local terms energy: -550.581438 where: bonds (distance) C4'-P energy: -106.183 bonds (distance) P-C4' energy: -105.516 flat angles C4'-P-C4' energy: -111.204 flat angles P-C4'-P energy: -74.112 tors. eta vs tors. theta energy: -153.567 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: 1 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1757.242124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.242124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.242124 (E_RNA) where: Base-Base interactions energy: -1224.826 where: short stacking energy: -509.198 Base-Backbone interact. energy: -2.673 local terms energy: -529.742660 where: bonds (distance) C4'-P energy: -85.835 bonds (distance) P-C4' energy: -106.298 flat angles C4'-P-C4' energy: -118.405 flat angles P-C4'-P energy: -71.445 tors. eta vs tors. theta energy: -147.760 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: 5, replica: 4 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1677.681475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.681475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.681475 (E_RNA) where: Base-Base interactions energy: -1169.395 where: short stacking energy: -481.418 Base-Backbone interact. energy: 1.319 local terms energy: -509.605457 where: bonds (distance) C4'-P energy: -98.223 bonds (distance) P-C4' energy: -106.990 flat angles C4'-P-C4' energy: -99.582 flat angles P-C4'-P energy: -79.960 tors. eta vs tors. theta energy: -124.850 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: 6, replica: 9 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1635.839880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.839880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.839880 (E_RNA) where: Base-Base interactions energy: -1138.534 where: short stacking energy: -470.483 Base-Backbone interact. energy: 4.829 local terms energy: -502.134305 where: bonds (distance) C4'-P energy: -92.153 bonds (distance) P-C4' energy: -107.034 flat angles C4'-P-C4' energy: -110.684 flat angles P-C4'-P energy: -74.209 tors. eta vs tors. theta energy: -118.054 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: 5 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1569.259183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.259183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.259183 (E_RNA) where: Base-Base interactions energy: -1113.370 where: short stacking energy: -462.429 Base-Backbone interact. energy: -0.581 local terms energy: -455.308418 where: bonds (distance) C4'-P energy: -85.418 bonds (distance) P-C4' energy: -94.285 flat angles C4'-P-C4' energy: -97.495 flat angles P-C4'-P energy: -56.718 tors. eta vs tors. theta energy: -121.392 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: 10 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1281.882747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.882747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.882747 (E_RNA) where: Base-Base interactions energy: -866.090 where: short stacking energy: -378.602 Base-Backbone interact. energy: 0.273 local terms energy: -416.065648 where: bonds (distance) C4'-P energy: -82.442 bonds (distance) P-C4' energy: -88.652 flat angles C4'-P-C4' energy: -97.509 flat angles P-C4'-P energy: -62.239 tors. eta vs tors. theta energy: -85.224 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: 9, replica: 7 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1132.726473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.726473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.726473 (E_RNA) where: Base-Base interactions energy: -711.133 where: short stacking energy: -312.924 Base-Backbone interact. energy: -1.839 local terms energy: -419.754620 where: bonds (distance) C4'-P energy: -92.487 bonds (distance) P-C4' energy: -110.210 flat angles C4'-P-C4' energy: -90.044 flat angles P-C4'-P energy: -55.244 tors. eta vs tors. theta energy: -71.770 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: 6 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -1121.766403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.766403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.766403 (E_RNA) where: Base-Base interactions energy: -715.575 where: short stacking energy: -318.493 Base-Backbone interact. energy: 3.770 local terms energy: -409.961565 where: bonds (distance) C4'-P energy: -98.513 bonds (distance) P-C4' energy: -101.674 flat angles C4'-P-C4' energy: -102.847 flat angles P-C4'-P energy: -54.401 tors. eta vs tors. theta energy: -52.527 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: 8 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1908.212343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.212343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.212343 (E_RNA) where: Base-Base interactions energy: -1332.100 where: short stacking energy: -555.824 Base-Backbone interact. energy: -1.005 local terms energy: -575.107388 where: bonds (distance) C4'-P energy: -98.148 bonds (distance) P-C4' energy: -115.271 flat angles C4'-P-C4' energy: -122.294 flat angles P-C4'-P energy: -79.271 tors. eta vs tors. theta energy: -160.124 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: 3 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1896.423186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.423186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.423186 (E_RNA) where: Base-Base interactions energy: -1331.418 where: short stacking energy: -553.144 Base-Backbone interact. energy: -3.149 local terms energy: -561.855693 where: bonds (distance) C4'-P energy: -94.820 bonds (distance) P-C4' energy: -115.887 flat angles C4'-P-C4' energy: -117.040 flat angles P-C4'-P energy: -71.521 tors. eta vs tors. theta energy: -162.588 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: 3, replica: 2 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1861.953149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.953149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.953149 (E_RNA) where: Base-Base interactions energy: -1309.174 where: short stacking energy: -536.558 Base-Backbone interact. energy: 0.270 local terms energy: -553.049873 where: bonds (distance) C4'-P energy: -86.045 bonds (distance) P-C4' energy: -115.518 flat angles C4'-P-C4' energy: -115.874 flat angles P-C4'-P energy: -83.322 tors. eta vs tors. theta energy: -152.291 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: 4, replica: 1 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1782.220910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.220910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.220910 (E_RNA) where: Base-Base interactions energy: -1244.094 where: short stacking energy: -499.228 Base-Backbone interact. energy: 1.688 local terms energy: -539.814788 where: bonds (distance) C4'-P energy: -99.267 bonds (distance) P-C4' energy: -107.274 flat angles C4'-P-C4' energy: -103.222 flat angles P-C4'-P energy: -82.856 tors. eta vs tors. theta energy: -147.196 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: 5, replica: 9 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1673.209785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.209785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.209785 (E_RNA) where: Base-Base interactions energy: -1151.647 where: short stacking energy: -484.620 Base-Backbone interact. energy: -0.790 local terms energy: -520.772368 where: bonds (distance) C4'-P energy: -86.710 bonds (distance) P-C4' energy: -113.481 flat angles C4'-P-C4' energy: -113.762 flat angles P-C4'-P energy: -76.835 tors. eta vs tors. theta energy: -129.984 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: 6, replica: 4 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1664.383890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.383890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.383890 (E_RNA) where: Base-Base interactions energy: -1172.649 where: short stacking energy: -471.769 Base-Backbone interact. energy: -1.035 local terms energy: -490.699601 where: bonds (distance) C4'-P energy: -79.106 bonds (distance) P-C4' energy: -93.171 flat angles C4'-P-C4' energy: -107.416 flat angles P-C4'-P energy: -79.245 tors. eta vs tors. theta energy: -131.761 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: 5 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1561.321033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.321033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.321033 (E_RNA) where: Base-Base interactions energy: -1081.994 where: short stacking energy: -432.831 Base-Backbone interact. energy: 3.667 local terms energy: -482.993351 where: bonds (distance) C4'-P energy: -89.605 bonds (distance) P-C4' energy: -105.804 flat angles C4'-P-C4' energy: -104.713 flat angles P-C4'-P energy: -64.748 tors. eta vs tors. theta energy: -118.123 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: 10 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1297.702586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.702586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.702586 (E_RNA) where: Base-Base interactions energy: -848.057 where: short stacking energy: -382.939 Base-Backbone interact. energy: 0.071 local terms energy: -449.717324 where: bonds (distance) C4'-P energy: -93.818 bonds (distance) P-C4' energy: -105.284 flat angles C4'-P-C4' energy: -86.814 flat angles P-C4'-P energy: -68.643 tors. eta vs tors. theta energy: -95.159 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: 9, replica: 7 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1120.444097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.444097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.444097 (E_RNA) where: Base-Base interactions energy: -683.159 where: short stacking energy: -318.457 Base-Backbone interact. energy: 0.466 local terms energy: -437.750748 where: bonds (distance) C4'-P energy: -96.988 bonds (distance) P-C4' energy: -113.054 flat angles C4'-P-C4' energy: -100.053 flat angles P-C4'-P energy: -57.210 tors. eta vs tors. theta energy: -70.447 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: 10, replica: 6 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -1139.731957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.731957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.731957 (E_RNA) where: Base-Base interactions energy: -751.759 where: short stacking energy: -324.376 Base-Backbone interact. energy: 0.278 local terms energy: -388.250871 where: bonds (distance) C4'-P energy: -93.640 bonds (distance) P-C4' energy: -98.028 flat angles C4'-P-C4' energy: -82.852 flat angles P-C4'-P energy: -53.169 tors. eta vs tors. theta energy: -60.562 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: 1, replica: 8 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1918.228867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.228867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.228867 (E_RNA) where: Base-Base interactions energy: -1348.009 where: short stacking energy: -570.610 Base-Backbone interact. energy: -0.836 local terms energy: -569.383526 where: bonds (distance) C4'-P energy: -105.174 bonds (distance) P-C4' energy: -102.501 flat angles C4'-P-C4' energy: -118.951 flat angles P-C4'-P energy: -81.534 tors. eta vs tors. theta energy: -161.224 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: 3 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1890.638569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.638569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.638569 (E_RNA) where: Base-Base interactions energy: -1330.129 where: short stacking energy: -545.551 Base-Backbone interact. energy: -1.438 local terms energy: -559.071863 where: bonds (distance) C4'-P energy: -102.760 bonds (distance) P-C4' energy: -112.773 flat angles C4'-P-C4' energy: -114.596 flat angles P-C4'-P energy: -69.468 tors. eta vs tors. theta energy: -159.475 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: 3, replica: 2 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1843.062448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.062448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.062448 (E_RNA) where: Base-Base interactions energy: -1289.755 where: short stacking energy: -526.339 Base-Backbone interact. energy: 3.958 local terms energy: -557.265272 where: bonds (distance) C4'-P energy: -88.364 bonds (distance) P-C4' energy: -115.815 flat angles C4'-P-C4' energy: -120.242 flat angles P-C4'-P energy: -79.373 tors. eta vs tors. theta energy: -153.470 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: 1 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1746.264450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.264450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.264450 (E_RNA) where: Base-Base interactions energy: -1211.887 where: short stacking energy: -505.748 Base-Backbone interact. energy: -0.399 local terms energy: -533.978682 where: bonds (distance) C4'-P energy: -98.627 bonds (distance) P-C4' energy: -103.206 flat angles C4'-P-C4' energy: -114.829 flat angles P-C4'-P energy: -74.007 tors. eta vs tors. theta energy: -143.309 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: 9 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1667.628729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.628729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.628729 (E_RNA) where: Base-Base interactions energy: -1150.886 where: short stacking energy: -487.155 Base-Backbone interact. energy: 2.205 local terms energy: -518.948410 where: bonds (distance) C4'-P energy: -93.251 bonds (distance) P-C4' energy: -101.069 flat angles C4'-P-C4' energy: -110.564 flat angles P-C4'-P energy: -80.174 tors. eta vs tors. theta energy: -133.890 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: 317 Temperature: 1.150000 Total energy: -1656.064265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.064265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.064265 (E_RNA) where: Base-Base interactions energy: -1145.361 where: short stacking energy: -462.990 Base-Backbone interact. energy: -0.378 local terms energy: -510.325345 where: bonds (distance) C4'-P energy: -91.756 bonds (distance) P-C4' energy: -98.080 flat angles C4'-P-C4' energy: -114.302 flat angles P-C4'-P energy: -76.562 tors. eta vs tors. theta energy: -129.626 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: 5 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1510.967598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.967598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.967598 (E_RNA) where: Base-Base interactions energy: -1048.662 where: short stacking energy: -422.960 Base-Backbone interact. energy: 0.081 local terms energy: -462.386971 where: bonds (distance) C4'-P energy: -98.865 bonds (distance) P-C4' energy: -92.284 flat angles C4'-P-C4' energy: -101.136 flat angles P-C4'-P energy: -63.359 tors. eta vs tors. theta energy: -106.743 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: 8, replica: 10 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1265.094096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.094096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.094096 (E_RNA) where: Base-Base interactions energy: -817.592 where: short stacking energy: -368.433 Base-Backbone interact. energy: -0.308 local terms energy: -447.193581 where: bonds (distance) C4'-P energy: -90.031 bonds (distance) P-C4' energy: -112.368 flat angles C4'-P-C4' energy: -97.630 flat angles P-C4'-P energy: -67.601 tors. eta vs tors. theta energy: -79.564 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: 7 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1140.713323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.713323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.713323 (E_RNA) where: Base-Base interactions energy: -749.162 where: short stacking energy: -349.206 Base-Backbone interact. energy: 2.528 local terms energy: -394.079879 where: bonds (distance) C4'-P energy: -80.782 bonds (distance) P-C4' energy: -99.147 flat angles C4'-P-C4' energy: -85.548 flat angles P-C4'-P energy: -55.810 tors. eta vs tors. theta energy: -72.793 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: 6 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -1144.465546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.465546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.465546 (E_RNA) where: Base-Base interactions energy: -754.688 where: short stacking energy: -320.117 Base-Backbone interact. energy: -1.622 local terms energy: -388.155750 where: bonds (distance) C4'-P energy: -84.813 bonds (distance) P-C4' energy: -101.232 flat angles C4'-P-C4' energy: -85.244 flat angles P-C4'-P energy: -66.610 tors. eta vs tors. theta energy: -50.256 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: 1, replica: 8 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1931.436751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.436751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.436751 (E_RNA) where: Base-Base interactions energy: -1349.023 where: short stacking energy: -558.103 Base-Backbone interact. energy: 0.312 local terms energy: -582.725506 where: bonds (distance) C4'-P energy: -108.420 bonds (distance) P-C4' energy: -117.586 flat angles C4'-P-C4' energy: -113.848 flat angles P-C4'-P energy: -81.528 tors. eta vs tors. theta energy: -161.344 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: 2, replica: 3 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1893.960630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.960630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.960630 (E_RNA) where: Base-Base interactions energy: -1353.734 where: short stacking energy: -553.861 Base-Backbone interact. energy: 4.285 local terms energy: -544.512148 where: bonds (distance) C4'-P energy: -94.495 bonds (distance) P-C4' energy: -104.959 flat angles C4'-P-C4' energy: -115.102 flat angles P-C4'-P energy: -72.570 tors. eta vs tors. theta energy: -157.385 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: 3, replica: 2 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1826.257071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.257071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.257071 (E_RNA) where: Base-Base interactions energy: -1274.227 where: short stacking energy: -525.348 Base-Backbone interact. energy: 3.066 local terms energy: -555.096606 where: bonds (distance) C4'-P energy: -103.413 bonds (distance) P-C4' energy: -102.625 flat angles C4'-P-C4' energy: -112.106 flat angles P-C4'-P energy: -80.458 tors. eta vs tors. theta energy: -156.495 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: 4, replica: 1 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1793.719310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.719310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.719310 (E_RNA) where: Base-Base interactions energy: -1255.490 where: short stacking energy: -523.292 Base-Backbone interact. energy: 0.687 local terms energy: -538.916477 where: bonds (distance) C4'-P energy: -90.177 bonds (distance) P-C4' energy: -102.324 flat angles C4'-P-C4' energy: -113.355 flat angles P-C4'-P energy: -76.293 tors. eta vs tors. theta energy: -156.767 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: 5, replica: 9 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1643.332637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.332637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.332637 (E_RNA) where: Base-Base interactions energy: -1124.208 where: short stacking energy: -444.301 Base-Backbone interact. energy: -1.132 local terms energy: -517.992370 where: bonds (distance) C4'-P energy: -107.055 bonds (distance) P-C4' energy: -91.616 flat angles C4'-P-C4' energy: -122.507 flat angles P-C4'-P energy: -71.865 tors. eta vs tors. theta energy: -124.948 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: 6, replica: 4 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1647.449219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.449219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.449219 (E_RNA) where: Base-Base interactions energy: -1155.096 where: short stacking energy: -490.281 Base-Backbone interact. energy: -1.168 local terms energy: -491.185747 where: bonds (distance) C4'-P energy: -90.620 bonds (distance) P-C4' energy: -97.454 flat angles C4'-P-C4' energy: -103.115 flat angles P-C4'-P energy: -71.569 tors. eta vs tors. theta energy: -128.427 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: 7, replica: 5 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1506.068964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.068964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.068964 (E_RNA) where: Base-Base interactions energy: -1067.627 where: short stacking energy: -432.737 Base-Backbone interact. energy: -4.080 local terms energy: -434.361931 where: bonds (distance) C4'-P energy: -75.781 bonds (distance) P-C4' energy: -102.204 flat angles C4'-P-C4' energy: -89.198 flat angles P-C4'-P energy: -67.468 tors. eta vs tors. theta energy: -99.710 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: 8, replica: 10 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1281.671606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.671606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.671606 (E_RNA) where: Base-Base interactions energy: -850.114 where: short stacking energy: -376.568 Base-Backbone interact. energy: -2.818 local terms energy: -428.738731 where: bonds (distance) C4'-P energy: -79.839 bonds (distance) P-C4' energy: -87.694 flat angles C4'-P-C4' energy: -104.115 flat angles P-C4'-P energy: -64.889 tors. eta vs tors. theta energy: -92.202 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: 9, replica: 7 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1144.291158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.291158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.291158 (E_RNA) where: Base-Base interactions energy: -734.649 where: short stacking energy: -326.985 Base-Backbone interact. energy: -0.687 local terms energy: -408.956006 where: bonds (distance) C4'-P energy: -76.796 bonds (distance) P-C4' energy: -105.780 flat angles C4'-P-C4' energy: -93.362 flat angles P-C4'-P energy: -60.817 tors. eta vs tors. theta energy: -72.201 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: 10, replica: 6 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -1110.351109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.351109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.351109 (E_RNA) where: Base-Base interactions energy: -717.798 where: short stacking energy: -309.915 Base-Backbone interact. energy: -1.323 local terms energy: -391.229742 where: bonds (distance) C4'-P energy: -88.088 bonds (distance) P-C4' energy: -109.882 flat angles C4'-P-C4' energy: -81.112 flat angles P-C4'-P energy: -56.440 tors. eta vs tors. theta energy: -55.707 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: 8 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1901.037823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.037823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.037823 (E_RNA) where: Base-Base interactions energy: -1329.636 where: short stacking energy: -548.204 Base-Backbone interact. energy: -0.943 local terms energy: -570.458452 where: bonds (distance) C4'-P energy: -91.710 bonds (distance) P-C4' energy: -120.188 flat angles C4'-P-C4' energy: -120.779 flat angles P-C4'-P energy: -83.160 tors. eta vs tors. theta energy: -154.621 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: 2, replica: 3 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1901.980523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.980523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.980523 (E_RNA) where: Base-Base interactions energy: -1336.789 where: short stacking energy: -549.069 Base-Backbone interact. energy: -2.452 local terms energy: -562.739750 where: bonds (distance) C4'-P energy: -100.912 bonds (distance) P-C4' energy: -111.591 flat angles C4'-P-C4' energy: -118.416 flat angles P-C4'-P energy: -79.840 tors. eta vs tors. theta energy: -151.980 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: 2 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1813.639761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.639761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.639761 (E_RNA) where: Base-Base interactions energy: -1259.113 where: short stacking energy: -517.010 Base-Backbone interact. energy: -0.287 local terms energy: -554.239757 where: bonds (distance) C4'-P energy: -101.138 bonds (distance) P-C4' energy: -110.165 flat angles C4'-P-C4' energy: -120.080 flat angles P-C4'-P energy: -78.950 tors. eta vs tors. theta energy: -143.906 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: 4, replica: 1 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1800.620307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.620307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.620307 (E_RNA) where: Base-Base interactions energy: -1248.692 where: short stacking energy: -522.834 Base-Backbone interact. energy: 2.123 local terms energy: -554.051313 where: bonds (distance) C4'-P energy: -98.033 bonds (distance) P-C4' energy: -111.639 flat angles C4'-P-C4' energy: -111.968 flat angles P-C4'-P energy: -84.860 tors. eta vs tors. theta energy: -147.552 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: 5, replica: 9 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1618.752882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.752882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.752882 (E_RNA) where: Base-Base interactions energy: -1120.984 where: short stacking energy: -464.484 Base-Backbone interact. energy: -0.718 local terms energy: -497.050347 where: bonds (distance) C4'-P energy: -86.775 bonds (distance) P-C4' energy: -113.082 flat angles C4'-P-C4' energy: -101.191 flat angles P-C4'-P energy: -67.271 tors. eta vs tors. theta energy: -128.732 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: 4 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1676.725927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.725927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.725927 (E_RNA) where: Base-Base interactions energy: -1169.194 where: short stacking energy: -460.264 Base-Backbone interact. energy: -1.071 local terms energy: -506.460735 where: bonds (distance) C4'-P energy: -90.498 bonds (distance) P-C4' energy: -107.538 flat angles C4'-P-C4' energy: -108.128 flat angles P-C4'-P energy: -74.376 tors. eta vs tors. theta energy: -125.921 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: 5 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1496.706856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.706856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.706856 (E_RNA) where: Base-Base interactions energy: -1027.391 where: short stacking energy: -425.006 Base-Backbone interact. energy: -2.092 local terms energy: -467.224299 where: bonds (distance) C4'-P energy: -75.207 bonds (distance) P-C4' energy: -94.184 flat angles C4'-P-C4' energy: -111.594 flat angles P-C4'-P energy: -76.182 tors. eta vs tors. theta energy: -110.058 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: 8, replica: 10 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1319.417089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.417089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.417089 (E_RNA) where: Base-Base interactions energy: -876.489 where: short stacking energy: -382.880 Base-Backbone interact. energy: 1.129 local terms energy: -444.057441 where: bonds (distance) C4'-P energy: -81.058 bonds (distance) P-C4' energy: -103.144 flat angles C4'-P-C4' energy: -96.694 flat angles P-C4'-P energy: -69.479 tors. eta vs tors. theta energy: -93.683 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: 7 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1122.568185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.568185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.568185 (E_RNA) where: Base-Base interactions energy: -728.175 where: short stacking energy: -324.535 Base-Backbone interact. energy: -0.331 local terms energy: -394.061547 where: bonds (distance) C4'-P energy: -87.118 bonds (distance) P-C4' energy: -97.212 flat angles C4'-P-C4' energy: -89.132 flat angles P-C4'-P energy: -57.973 tors. eta vs tors. theta energy: -62.627 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: 10, replica: 6 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -1123.907019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.907019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.907019 (E_RNA) where: Base-Base interactions energy: -705.410 where: short stacking energy: -306.879 Base-Backbone interact. energy: 1.138 local terms energy: -419.635269 where: bonds (distance) C4'-P energy: -93.761 bonds (distance) P-C4' energy: -101.849 flat angles C4'-P-C4' energy: -95.207 flat angles P-C4'-P energy: -69.559 tors. eta vs tors. theta energy: -59.259 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: 1, replica: 8 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1914.411313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.411313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.411313 (E_RNA) where: Base-Base interactions energy: -1329.028 where: short stacking energy: -546.679 Base-Backbone interact. energy: -1.546 local terms energy: -583.836944 where: bonds (distance) C4'-P energy: -100.345 bonds (distance) P-C4' energy: -109.916 flat angles C4'-P-C4' energy: -124.655 flat angles P-C4'-P energy: -85.730 tors. eta vs tors. theta energy: -163.191 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: 3 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1876.549347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.549347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.549347 (E_RNA) where: Base-Base interactions energy: -1326.435 where: short stacking energy: -547.375 Base-Backbone interact. energy: -1.900 local terms energy: -548.215015 where: bonds (distance) C4'-P energy: -93.115 bonds (distance) P-C4' energy: -112.078 flat angles C4'-P-C4' energy: -111.407 flat angles P-C4'-P energy: -82.310 tors. eta vs tors. theta energy: -149.305 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: 2 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1835.161360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.161360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.161360 (E_RNA) where: Base-Base interactions energy: -1271.362 where: short stacking energy: -517.887 Base-Backbone interact. energy: 0.197 local terms energy: -563.996561 where: bonds (distance) C4'-P energy: -100.043 bonds (distance) P-C4' energy: -108.441 flat angles C4'-P-C4' energy: -122.762 flat angles P-C4'-P energy: -78.830 tors. eta vs tors. theta energy: -153.921 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: 4, replica: 1 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1785.720258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.720258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.720258 (E_RNA) where: Base-Base interactions energy: -1254.422 where: short stacking energy: -510.959 Base-Backbone interact. energy: -1.619 local terms energy: -529.678482 where: bonds (distance) C4'-P energy: -85.175 bonds (distance) P-C4' energy: -105.032 flat angles C4'-P-C4' energy: -113.758 flat angles P-C4'-P energy: -73.891 tors. eta vs tors. theta energy: -151.823 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: 5, replica: 9 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1641.503910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.503910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.503910 (E_RNA) where: Base-Base interactions energy: -1129.906 where: short stacking energy: -490.501 Base-Backbone interact. energy: 4.108 local terms energy: -515.705970 where: bonds (distance) C4'-P energy: -89.852 bonds (distance) P-C4' energy: -109.716 flat angles C4'-P-C4' energy: -114.019 flat angles P-C4'-P energy: -74.444 tors. eta vs tors. theta energy: -127.675 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: 4 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1661.529067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.529067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.529067 (E_RNA) where: Base-Base interactions energy: -1161.121 where: short stacking energy: -464.017 Base-Backbone interact. energy: -1.115 local terms energy: -499.292449 where: bonds (distance) C4'-P energy: -93.171 bonds (distance) P-C4' energy: -112.035 flat angles C4'-P-C4' energy: -108.055 flat angles P-C4'-P energy: -63.432 tors. eta vs tors. theta energy: -122.599 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: 7, replica: 5 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1532.744044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.744044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.744044 (E_RNA) where: Base-Base interactions energy: -1073.958 where: short stacking energy: -413.369 Base-Backbone interact. energy: 0.698 local terms energy: -459.483775 where: bonds (distance) C4'-P energy: -87.813 bonds (distance) P-C4' energy: -108.547 flat angles C4'-P-C4' energy: -101.419 flat angles P-C4'-P energy: -58.543 tors. eta vs tors. theta energy: -103.162 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: 8, replica: 10 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1291.069049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.069049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.069049 (E_RNA) where: Base-Base interactions energy: -861.485 where: short stacking energy: -361.881 Base-Backbone interact. energy: 0.867 local terms energy: -430.450894 where: bonds (distance) C4'-P energy: -88.351 bonds (distance) P-C4' energy: -102.331 flat angles C4'-P-C4' energy: -93.635 flat angles P-C4'-P energy: -66.388 tors. eta vs tors. theta energy: -79.745 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: 9, replica: 6 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1130.187632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.187632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.187632 (E_RNA) where: Base-Base interactions energy: -736.700 where: short stacking energy: -330.856 Base-Backbone interact. energy: -1.238 local terms energy: -392.249431 where: bonds (distance) C4'-P energy: -71.385 bonds (distance) P-C4' energy: -100.972 flat angles C4'-P-C4' energy: -99.299 flat angles P-C4'-P energy: -63.234 tors. eta vs tors. theta energy: -57.359 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: 10, replica: 7 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -1100.673475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.673475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.673475 (E_RNA) where: Base-Base interactions energy: -727.352 where: short stacking energy: -330.589 Base-Backbone interact. energy: 0.661 local terms energy: -373.982704 where: bonds (distance) C4'-P energy: -80.353 bonds (distance) P-C4' energy: -103.078 flat angles C4'-P-C4' energy: -83.766 flat angles P-C4'-P energy: -47.159 tors. eta vs tors. theta energy: -59.626 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: 1, replica: 8 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1910.400622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.400622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.400622 (E_RNA) where: Base-Base interactions energy: -1336.933 where: short stacking energy: -558.343 Base-Backbone interact. energy: -0.024 local terms energy: -573.444027 where: bonds (distance) C4'-P energy: -100.946 bonds (distance) P-C4' energy: -105.028 flat angles C4'-P-C4' energy: -119.782 flat angles P-C4'-P energy: -83.242 tors. eta vs tors. theta energy: -164.446 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: 2, replica: 2 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1857.261586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.261586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.261586 (E_RNA) where: Base-Base interactions energy: -1292.922 where: short stacking energy: -528.412 Base-Backbone interact. energy: -1.733 local terms energy: -562.606256 where: bonds (distance) C4'-P energy: -106.889 bonds (distance) P-C4' energy: -108.565 flat angles C4'-P-C4' energy: -116.230 flat angles P-C4'-P energy: -82.380 tors. eta vs tors. theta energy: -148.542 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: 3, replica: 3 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1844.093250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.093250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.093250 (E_RNA) where: Base-Base interactions energy: -1311.005 where: short stacking energy: -551.306 Base-Backbone interact. energy: -0.955 local terms energy: -532.133454 where: bonds (distance) C4'-P energy: -87.876 bonds (distance) P-C4' energy: -94.433 flat angles C4'-P-C4' energy: -117.243 flat angles P-C4'-P energy: -77.355 tors. eta vs tors. theta energy: -155.225 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: 4, replica: 1 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1778.055112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.055112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.055112 (E_RNA) where: Base-Base interactions energy: -1251.312 where: short stacking energy: -521.917 Base-Backbone interact. energy: -1.252 local terms energy: -525.491284 where: bonds (distance) C4'-P energy: -87.779 bonds (distance) P-C4' energy: -107.320 flat angles C4'-P-C4' energy: -112.139 flat angles P-C4'-P energy: -63.465 tors. eta vs tors. theta energy: -154.788 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: 9 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1629.922171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.922171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.922171 (E_RNA) where: Base-Base interactions energy: -1119.535 where: short stacking energy: -466.318 Base-Backbone interact. energy: -0.482 local terms energy: -509.904764 where: bonds (distance) C4'-P energy: -82.634 bonds (distance) P-C4' energy: -103.583 flat angles C4'-P-C4' energy: -117.506 flat angles P-C4'-P energy: -78.333 tors. eta vs tors. theta energy: -127.849 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: 321 Temperature: 1.150000 Total energy: -1678.815030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.815030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.815030 (E_RNA) where: Base-Base interactions energy: -1181.505 where: short stacking energy: -484.843 Base-Backbone interact. energy: -0.199 local terms energy: -497.111679 where: bonds (distance) C4'-P energy: -82.750 bonds (distance) P-C4' energy: -106.884 flat angles C4'-P-C4' energy: -104.644 flat angles P-C4'-P energy: -70.288 tors. eta vs tors. theta energy: -132.545 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: 7, replica: 5 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1535.560076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.560076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.560076 (E_RNA) where: Base-Base interactions energy: -1083.157 where: short stacking energy: -461.926 Base-Backbone interact. energy: -1.655 local terms energy: -450.747161 where: bonds (distance) C4'-P energy: -76.761 bonds (distance) P-C4' energy: -85.025 flat angles C4'-P-C4' energy: -106.974 flat angles P-C4'-P energy: -62.086 tors. eta vs tors. theta energy: -119.901 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: 8, replica: 10 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1349.897275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.897275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.897275 (E_RNA) where: Base-Base interactions energy: -894.698 where: short stacking energy: -403.766 Base-Backbone interact. energy: 1.610 local terms energy: -456.810014 where: bonds (distance) C4'-P energy: -80.665 bonds (distance) P-C4' energy: -101.032 flat angles C4'-P-C4' energy: -94.743 flat angles P-C4'-P energy: -70.690 tors. eta vs tors. theta energy: -109.680 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: 321 Temperature: 1.300000 Total energy: -1150.956697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.956697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.956697 (E_RNA) where: Base-Base interactions energy: -753.209 where: short stacking energy: -341.871 Base-Backbone interact. energy: 3.436 local terms energy: -401.183615 where: bonds (distance) C4'-P energy: -79.345 bonds (distance) P-C4' energy: -95.804 flat angles C4'-P-C4' energy: -86.910 flat angles P-C4'-P energy: -60.327 tors. eta vs tors. theta energy: -78.797 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: 7 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -1111.807751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.807751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.807751 (E_RNA) where: Base-Base interactions energy: -723.963 where: short stacking energy: -326.517 Base-Backbone interact. energy: -0.201 local terms energy: -387.643839 where: bonds (distance) C4'-P energy: -78.265 bonds (distance) P-C4' energy: -95.668 flat angles C4'-P-C4' energy: -82.361 flat angles P-C4'-P energy: -53.734 tors. eta vs tors. theta energy: -77.616 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: 8 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1906.400098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.400098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.400098 (E_RNA) where: Base-Base interactions energy: -1341.121 where: short stacking energy: -551.856 Base-Backbone interact. energy: -2.594 local terms energy: -562.684751 where: bonds (distance) C4'-P energy: -99.468 bonds (distance) P-C4' energy: -111.539 flat angles C4'-P-C4' energy: -123.373 flat angles P-C4'-P energy: -76.803 tors. eta vs tors. theta energy: -151.502 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: 2, replica: 2 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1864.185884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.185884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.185884 (E_RNA) where: Base-Base interactions energy: -1301.937 where: short stacking energy: -527.998 Base-Backbone interact. energy: -1.289 local terms energy: -560.960419 where: bonds (distance) C4'-P energy: -92.979 bonds (distance) P-C4' energy: -114.604 flat angles C4'-P-C4' energy: -120.483 flat angles P-C4'-P energy: -80.051 tors. eta vs tors. theta energy: -152.843 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: 3, replica: 3 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1856.070876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.070876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.070876 (E_RNA) where: Base-Base interactions energy: -1302.074 where: short stacking energy: -540.937 Base-Backbone interact. energy: 0.011 local terms energy: -554.007498 where: bonds (distance) C4'-P energy: -99.105 bonds (distance) P-C4' energy: -112.285 flat angles C4'-P-C4' energy: -112.313 flat angles P-C4'-P energy: -76.459 tors. eta vs tors. theta energy: -153.845 Dist. restrs. and SS energy: 0.000 (S_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: 322 Temperature: 1.050000 Total energy: -1776.019390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.019390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.019390 (E_RNA) where: Base-Base interactions energy: -1229.770 where: short stacking energy: -499.522 Base-Backbone interact. energy: -2.562 local terms energy: -543.687419 where: bonds (distance) C4'-P energy: -90.826 bonds (distance) P-C4' energy: -115.066 flat angles C4'-P-C4' energy: -113.336 flat angles P-C4'-P energy: -75.119 tors. eta vs tors. theta energy: -149.340 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: 4 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1704.265606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.265606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.265606 (E_RNA) where: Base-Base interactions energy: -1188.074 where: short stacking energy: -490.478 Base-Backbone interact. energy: -1.244 local terms energy: -514.948163 where: bonds (distance) C4'-P energy: -92.307 bonds (distance) P-C4' energy: -100.797 flat angles C4'-P-C4' energy: -104.165 flat angles P-C4'-P energy: -75.415 tors. eta vs tors. theta energy: -142.264 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: 6, replica: 9 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1627.848937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.848937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.848937 (E_RNA) where: Base-Base interactions energy: -1139.551 where: short stacking energy: -470.867 Base-Backbone interact. energy: -0.747 local terms energy: -487.550860 where: bonds (distance) C4'-P energy: -88.051 bonds (distance) P-C4' energy: -108.017 flat angles C4'-P-C4' energy: -106.873 flat angles P-C4'-P energy: -57.511 tors. eta vs tors. theta energy: -127.099 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: 5 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1528.468733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.468733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.468733 (E_RNA) where: Base-Base interactions energy: -1069.759 where: short stacking energy: -441.730 Base-Backbone interact. energy: -0.802 local terms energy: -457.907200 where: bonds (distance) C4'-P energy: -77.489 bonds (distance) P-C4' energy: -113.742 flat angles C4'-P-C4' energy: -97.703 flat angles P-C4'-P energy: -61.569 tors. eta vs tors. theta energy: -107.405 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: 10 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1288.382545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.382545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.382545 (E_RNA) where: Base-Base interactions energy: -878.081 where: short stacking energy: -385.199 Base-Backbone interact. energy: -1.605 local terms energy: -408.696420 where: bonds (distance) C4'-P energy: -76.612 bonds (distance) P-C4' energy: -94.947 flat angles C4'-P-C4' energy: -89.531 flat angles P-C4'-P energy: -65.802 tors. eta vs tors. theta energy: -81.804 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: 7 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1129.598510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.598510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.598510 (E_RNA) where: Base-Base interactions energy: -732.456 where: short stacking energy: -347.298 Base-Backbone interact. energy: 2.711 local terms energy: -399.853471 where: bonds (distance) C4'-P energy: -81.176 bonds (distance) P-C4' energy: -98.318 flat angles C4'-P-C4' energy: -96.555 flat angles P-C4'-P energy: -57.591 tors. eta vs tors. theta energy: -66.213 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: 10, replica: 6 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -1111.475991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.475991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.475991 (E_RNA) where: Base-Base interactions energy: -696.431 where: short stacking energy: -311.014 Base-Backbone interact. energy: 1.645 local terms energy: -416.690176 where: bonds (distance) C4'-P energy: -90.898 bonds (distance) P-C4' energy: -100.922 flat angles C4'-P-C4' energy: -92.965 flat angles P-C4'-P energy: -60.844 tors. eta vs tors. theta energy: -71.060 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: 1, replica: 8 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1914.450456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.450456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.450456 (E_RNA) where: Base-Base interactions energy: -1345.174 where: short stacking energy: -551.042 Base-Backbone interact. energy: -0.632 local terms energy: -568.643656 where: bonds (distance) C4'-P energy: -97.744 bonds (distance) P-C4' energy: -113.223 flat angles C4'-P-C4' energy: -116.210 flat angles P-C4'-P energy: -84.598 tors. eta vs tors. theta energy: -156.868 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: 2, replica: 2 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1877.114580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.114580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.114580 (E_RNA) where: Base-Base interactions energy: -1318.377 where: short stacking energy: -532.840 Base-Backbone interact. energy: -3.392 local terms energy: -555.344711 where: bonds (distance) C4'-P energy: -103.334 bonds (distance) P-C4' energy: -103.925 flat angles C4'-P-C4' energy: -122.654 flat angles P-C4'-P energy: -72.790 tors. eta vs tors. theta energy: -152.642 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: 3, replica: 3 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1880.656271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.656271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.656271 (E_RNA) where: Base-Base interactions energy: -1331.133 where: short stacking energy: -539.119 Base-Backbone interact. energy: -2.722 local terms energy: -546.801514 where: bonds (distance) C4'-P energy: -97.107 bonds (distance) P-C4' energy: -99.523 flat angles C4'-P-C4' energy: -115.594 flat angles P-C4'-P energy: -81.281 tors. eta vs tors. theta energy: -153.297 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: 4, replica: 1 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1765.455548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.455548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.455548 (E_RNA) where: Base-Base interactions energy: -1229.005 where: short stacking energy: -518.237 Base-Backbone interact. energy: -1.332 local terms energy: -535.118817 where: bonds (distance) C4'-P energy: -87.887 bonds (distance) P-C4' energy: -102.369 flat angles C4'-P-C4' energy: -119.034 flat angles P-C4'-P energy: -77.376 tors. eta vs tors. theta energy: -148.453 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: 5, replica: 4 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1708.814639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.814639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.814639 (E_RNA) where: Base-Base interactions energy: -1179.553 where: short stacking energy: -477.749 Base-Backbone interact. energy: -0.520 local terms energy: -528.741171 where: bonds (distance) C4'-P energy: -96.752 bonds (distance) P-C4' energy: -106.744 flat angles C4'-P-C4' energy: -109.378 flat angles P-C4'-P energy: -80.800 tors. eta vs tors. theta energy: -135.068 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: 9 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1619.003215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.003215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.003215 (E_RNA) where: Base-Base interactions energy: -1121.719 where: short stacking energy: -447.494 Base-Backbone interact. energy: 3.283 local terms energy: -500.567308 where: bonds (distance) C4'-P energy: -102.374 bonds (distance) P-C4' energy: -99.082 flat angles C4'-P-C4' energy: -107.083 flat angles P-C4'-P energy: -67.088 tors. eta vs tors. theta energy: -124.939 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: 5 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1521.080507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.080507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.080507 (E_RNA) where: Base-Base interactions energy: -1032.999 where: short stacking energy: -425.109 Base-Backbone interact. energy: -2.162 local terms energy: -485.919770 where: bonds (distance) C4'-P energy: -78.848 bonds (distance) P-C4' energy: -114.024 flat angles C4'-P-C4' energy: -106.091 flat angles P-C4'-P energy: -78.964 tors. eta vs tors. theta energy: -107.992 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: 8, replica: 10 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1297.873517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.873517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.873517 (E_RNA) where: Base-Base interactions energy: -860.824 where: short stacking energy: -375.148 Base-Backbone interact. energy: 1.551 local terms energy: -438.600020 where: bonds (distance) C4'-P energy: -84.566 bonds (distance) P-C4' energy: -98.644 flat angles C4'-P-C4' energy: -102.380 flat angles P-C4'-P energy: -56.554 tors. eta vs tors. theta energy: -96.456 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: 9, replica: 7 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1125.062957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.062957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.062957 (E_RNA) where: Base-Base interactions energy: -720.911 where: short stacking energy: -326.388 Base-Backbone interact. energy: 2.744 local terms energy: -406.895875 where: bonds (distance) C4'-P energy: -83.487 bonds (distance) P-C4' energy: -98.566 flat angles C4'-P-C4' energy: -93.856 flat angles P-C4'-P energy: -66.228 tors. eta vs tors. theta energy: -64.759 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: 6 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -1099.604178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.604178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.604178 (E_RNA) where: Base-Base interactions energy: -716.812 where: short stacking energy: -305.873 Base-Backbone interact. energy: 1.381 local terms energy: -384.173424 where: bonds (distance) C4'-P energy: -84.440 bonds (distance) P-C4' energy: -100.865 flat angles C4'-P-C4' energy: -87.503 flat angles P-C4'-P energy: -45.403 tors. eta vs tors. theta energy: -65.964 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: 8 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1920.093824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.093824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.093824 (E_RNA) where: Base-Base interactions energy: -1347.363 where: short stacking energy: -566.014 Base-Backbone interact. energy: -1.658 local terms energy: -571.072854 where: bonds (distance) C4'-P energy: -96.447 bonds (distance) P-C4' energy: -108.046 flat angles C4'-P-C4' energy: -124.833 flat angles P-C4'-P energy: -82.873 tors. eta vs tors. theta energy: -158.874 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: 2, replica: 2 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1878.153454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.153454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.153454 (E_RNA) where: Base-Base interactions energy: -1316.249 where: short stacking energy: -535.735 Base-Backbone interact. energy: -0.364 local terms energy: -561.540361 where: bonds (distance) C4'-P energy: -108.303 bonds (distance) P-C4' energy: -106.784 flat angles C4'-P-C4' energy: -110.434 flat angles P-C4'-P energy: -83.752 tors. eta vs tors. theta energy: -152.267 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: 3, replica: 3 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1842.847764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.847764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.847764 (E_RNA) where: Base-Base interactions energy: -1298.336 where: short stacking energy: -532.090 Base-Backbone interact. energy: 1.131 local terms energy: -545.642821 where: bonds (distance) C4'-P energy: -90.040 bonds (distance) P-C4' energy: -114.895 flat angles C4'-P-C4' energy: -121.904 flat angles P-C4'-P energy: -71.032 tors. eta vs tors. theta energy: -147.771 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: 1 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1754.157744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.157744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.157744 (E_RNA) where: Base-Base interactions energy: -1203.963 where: short stacking energy: -501.367 Base-Backbone interact. energy: 0.214 local terms energy: -550.408689 where: bonds (distance) C4'-P energy: -107.710 bonds (distance) P-C4' energy: -112.667 flat angles C4'-P-C4' energy: -107.486 flat angles P-C4'-P energy: -73.707 tors. eta vs tors. theta energy: -148.839 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: 5, replica: 9 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1634.034917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.034917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.034917 (E_RNA) where: Base-Base interactions energy: -1152.723 where: short stacking energy: -476.680 Base-Backbone interact. energy: -0.324 local terms energy: -480.988398 where: bonds (distance) C4'-P energy: -84.853 bonds (distance) P-C4' energy: -106.679 flat angles C4'-P-C4' energy: -100.696 flat angles P-C4'-P energy: -73.276 tors. eta vs tors. theta energy: -115.484 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: 6, replica: 4 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1685.158931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.158931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.158931 (E_RNA) where: Base-Base interactions energy: -1176.757 where: short stacking energy: -494.071 Base-Backbone interact. energy: 0.431 local terms energy: -508.832777 where: bonds (distance) C4'-P energy: -93.181 bonds (distance) P-C4' energy: -107.448 flat angles C4'-P-C4' energy: -105.398 flat angles P-C4'-P energy: -77.133 tors. eta vs tors. theta energy: -125.673 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: 7, replica: 5 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1483.963823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.963823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.963823 (E_RNA) where: Base-Base interactions energy: -1012.507 where: short stacking energy: -439.073 Base-Backbone interact. energy: -1.151 local terms energy: -470.305614 where: bonds (distance) C4'-P energy: -76.763 bonds (distance) P-C4' energy: -101.429 flat angles C4'-P-C4' energy: -99.772 flat angles P-C4'-P energy: -78.461 tors. eta vs tors. theta energy: -113.880 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: 8, replica: 10 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1284.106098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.106098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.106098 (E_RNA) where: Base-Base interactions energy: -847.636 where: short stacking energy: -363.672 Base-Backbone interact. energy: 1.146 local terms energy: -437.615727 where: bonds (distance) C4'-P energy: -80.587 bonds (distance) P-C4' energy: -97.117 flat angles C4'-P-C4' energy: -98.480 flat angles P-C4'-P energy: -66.988 tors. eta vs tors. theta energy: -94.443 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: 324 Temperature: 1.300000 Total energy: -1134.044388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.044388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.044388 (E_RNA) where: Base-Base interactions energy: -731.664 where: short stacking energy: -335.592 Base-Backbone interact. energy: -0.293 local terms energy: -402.088106 where: bonds (distance) C4'-P energy: -83.367 bonds (distance) P-C4' energy: -89.576 flat angles C4'-P-C4' energy: -85.697 flat angles P-C4'-P energy: -66.933 tors. eta vs tors. theta energy: -76.515 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: 10, replica: 7 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -1086.868597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.868597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.868597 (E_RNA) where: Base-Base interactions energy: -704.745 where: short stacking energy: -299.827 Base-Backbone interact. energy: 2.040 local terms energy: -384.162864 where: bonds (distance) C4'-P energy: -67.552 bonds (distance) P-C4' energy: -113.052 flat angles C4'-P-C4' energy: -91.200 flat angles P-C4'-P energy: -60.729 tors. eta vs tors. theta energy: -51.630 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: 1, replica: 8 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1933.973223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.973223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.973223 (E_RNA) where: Base-Base interactions energy: -1342.604 where: short stacking energy: -565.620 Base-Backbone interact. energy: 1.265 local terms energy: -592.634348 where: bonds (distance) C4'-P energy: -107.193 bonds (distance) P-C4' energy: -114.876 flat angles C4'-P-C4' energy: -124.267 flat angles P-C4'-P energy: -85.465 tors. eta vs tors. theta energy: -160.834 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: 2, replica: 3 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1874.872088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.872088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.872088 (E_RNA) where: Base-Base interactions energy: -1311.790 where: short stacking energy: -531.014 Base-Backbone interact. energy: 0.150 local terms energy: -563.231838 where: bonds (distance) C4'-P energy: -95.110 bonds (distance) P-C4' energy: -120.299 flat angles C4'-P-C4' energy: -112.298 flat angles P-C4'-P energy: -80.966 tors. eta vs tors. theta energy: -154.559 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: 2 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1822.620223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.620223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.620223 (E_RNA) where: Base-Base interactions energy: -1262.871 where: short stacking energy: -522.649 Base-Backbone interact. energy: 2.505 local terms energy: -562.253916 where: bonds (distance) C4'-P energy: -93.623 bonds (distance) P-C4' energy: -111.009 flat angles C4'-P-C4' energy: -117.344 flat angles P-C4'-P energy: -85.303 tors. eta vs tors. theta energy: -154.975 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: 1 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1724.141062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.141062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.141062 (E_RNA) where: Base-Base interactions energy: -1195.709 where: short stacking energy: -505.942 Base-Backbone interact. energy: 0.005 local terms energy: -528.436274 where: bonds (distance) C4'-P energy: -98.371 bonds (distance) P-C4' energy: -108.819 flat angles C4'-P-C4' energy: -108.370 flat angles P-C4'-P energy: -74.165 tors. eta vs tors. theta energy: -138.712 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: 9 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1646.149053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.149053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.149053 (E_RNA) where: Base-Base interactions energy: -1151.582 where: short stacking energy: -472.266 Base-Backbone interact. energy: 3.507 local terms energy: -498.073305 where: bonds (distance) C4'-P energy: -83.303 bonds (distance) P-C4' energy: -106.965 flat angles C4'-P-C4' energy: -116.221 flat angles P-C4'-P energy: -73.050 tors. eta vs tors. theta energy: -118.535 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: 6, replica: 4 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1665.851523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.851523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.851523 (E_RNA) where: Base-Base interactions energy: -1138.622 where: short stacking energy: -462.898 Base-Backbone interact. energy: -1.471 local terms energy: -525.758971 where: bonds (distance) C4'-P energy: -94.543 bonds (distance) P-C4' energy: -112.605 flat angles C4'-P-C4' energy: -110.072 flat angles P-C4'-P energy: -77.830 tors. eta vs tors. theta energy: -130.709 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: 7, replica: 5 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1472.195942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.195942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.195942 (E_RNA) where: Base-Base interactions energy: -991.746 where: short stacking energy: -419.342 Base-Backbone interact. energy: 1.914 local terms energy: -482.364390 where: bonds (distance) C4'-P energy: -83.518 bonds (distance) P-C4' energy: -105.032 flat angles C4'-P-C4' energy: -99.032 flat angles P-C4'-P energy: -78.102 tors. eta vs tors. theta energy: -116.680 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: 8, replica: 10 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1279.493486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.493486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.493486 (E_RNA) where: Base-Base interactions energy: -861.392 where: short stacking energy: -369.584 Base-Backbone interact. energy: 0.380 local terms energy: -418.481720 where: bonds (distance) C4'-P energy: -90.840 bonds (distance) P-C4' energy: -100.366 flat angles C4'-P-C4' energy: -84.851 flat angles P-C4'-P energy: -56.807 tors. eta vs tors. theta energy: -85.618 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: 9, replica: 6 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1108.141365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.141365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.141365 (E_RNA) where: Base-Base interactions energy: -710.900 where: short stacking energy: -320.614 Base-Backbone interact. energy: 4.656 local terms energy: -401.897373 where: bonds (distance) C4'-P energy: -91.906 bonds (distance) P-C4' energy: -106.195 flat angles C4'-P-C4' energy: -84.920 flat angles P-C4'-P energy: -57.725 tors. eta vs tors. theta energy: -61.151 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: 7 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -1088.584097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.584097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.584097 (E_RNA) where: Base-Base interactions energy: -718.827 where: short stacking energy: -316.529 Base-Backbone interact. energy: 1.212 local terms energy: -370.968445 where: bonds (distance) C4'-P energy: -72.299 bonds (distance) P-C4' energy: -109.143 flat angles C4'-P-C4' energy: -94.056 flat angles P-C4'-P energy: -52.189 tors. eta vs tors. theta energy: -43.280 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: 8 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1929.270742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.270742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.270742 (E_RNA) where: Base-Base interactions energy: -1342.101 where: short stacking energy: -553.597 Base-Backbone interact. energy: -2.592 local terms energy: -584.577553 where: bonds (distance) C4'-P energy: -104.205 bonds (distance) P-C4' energy: -112.676 flat angles C4'-P-C4' energy: -112.758 flat angles P-C4'-P energy: -92.503 tors. eta vs tors. theta energy: -162.436 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: 3 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1876.774253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.774253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.774253 (E_RNA) where: Base-Base interactions energy: -1310.536 where: short stacking energy: -546.391 Base-Backbone interact. energy: 1.288 local terms energy: -567.526397 where: bonds (distance) C4'-P energy: -103.034 bonds (distance) P-C4' energy: -110.427 flat angles C4'-P-C4' energy: -117.197 flat angles P-C4'-P energy: -80.251 tors. eta vs tors. theta energy: -156.617 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: 3, replica: 1 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1781.169276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.169276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.169276 (E_RNA) where: Base-Base interactions energy: -1231.516 where: short stacking energy: -516.019 Base-Backbone interact. energy: 1.505 local terms energy: -551.158499 where: bonds (distance) C4'-P energy: -101.706 bonds (distance) P-C4' energy: -111.964 flat angles C4'-P-C4' energy: -117.635 flat angles P-C4'-P energy: -76.126 tors. eta vs tors. theta energy: -143.728 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: 326 Temperature: 1.050000 Total energy: -1752.911255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.911255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.911255 (E_RNA) where: Base-Base interactions energy: -1225.918 where: short stacking energy: -501.818 Base-Backbone interact. energy: -2.243 local terms energy: -524.750797 where: bonds (distance) C4'-P energy: -103.814 bonds (distance) P-C4' energy: -99.805 flat angles C4'-P-C4' energy: -114.539 flat angles P-C4'-P energy: -68.253 tors. eta vs tors. theta energy: -138.339 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: 9 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1685.932477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.932477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.932477 (E_RNA) where: Base-Base interactions energy: -1170.492 where: short stacking energy: -501.987 Base-Backbone interact. energy: 1.273 local terms energy: -516.713459 where: bonds (distance) C4'-P energy: -92.808 bonds (distance) P-C4' energy: -111.973 flat angles C4'-P-C4' energy: -112.772 flat angles P-C4'-P energy: -75.021 tors. eta vs tors. theta energy: -124.140 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: 4 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1675.445938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.445938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.445938 (E_RNA) where: Base-Base interactions energy: -1159.975 where: short stacking energy: -487.611 Base-Backbone interact. energy: -0.989 local terms energy: -514.482306 where: bonds (distance) C4'-P energy: -88.475 bonds (distance) P-C4' energy: -101.457 flat angles C4'-P-C4' energy: -107.510 flat angles P-C4'-P energy: -76.788 tors. eta vs tors. theta energy: -140.252 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: 5 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1463.471984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.471984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.471984 (E_RNA) where: Base-Base interactions energy: -993.594 where: short stacking energy: -434.115 Base-Backbone interact. energy: 1.203 local terms energy: -471.081025 where: bonds (distance) C4'-P energy: -79.042 bonds (distance) P-C4' energy: -113.273 flat angles C4'-P-C4' energy: -103.010 flat angles P-C4'-P energy: -68.680 tors. eta vs tors. theta energy: -107.077 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: 8, replica: 10 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1328.043389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.043389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.043389 (E_RNA) where: Base-Base interactions energy: -860.546 where: short stacking energy: -385.162 Base-Backbone interact. energy: 3.133 local terms energy: -470.630259 where: bonds (distance) C4'-P energy: -79.544 bonds (distance) P-C4' energy: -111.883 flat angles C4'-P-C4' energy: -93.049 flat angles P-C4'-P energy: -84.411 tors. eta vs tors. theta energy: -101.744 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: 326 Temperature: 1.300000 Total energy: -1144.099587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.099587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.099587 (E_RNA) where: Base-Base interactions energy: -773.947 where: short stacking energy: -348.965 Base-Backbone interact. energy: 6.568 local terms energy: -376.720625 where: bonds (distance) C4'-P energy: -82.579 bonds (distance) P-C4' energy: -87.632 flat angles C4'-P-C4' energy: -92.797 flat angles P-C4'-P energy: -44.319 tors. eta vs tors. theta energy: -69.393 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: 10, replica: 7 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -1094.094646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.094646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.094646 (E_RNA) where: Base-Base interactions energy: -686.899 where: short stacking energy: -303.863 Base-Backbone interact. energy: 1.916 local terms energy: -409.111664 where: bonds (distance) C4'-P energy: -97.649 bonds (distance) P-C4' energy: -96.172 flat angles C4'-P-C4' energy: -89.007 flat angles P-C4'-P energy: -68.217 tors. eta vs tors. theta energy: -58.067 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: 1, replica: 8 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1917.260291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.260291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.260291 (E_RNA) where: Base-Base interactions energy: -1332.390 where: short stacking energy: -555.019 Base-Backbone interact. energy: -2.096 local terms energy: -582.774839 where: bonds (distance) C4'-P energy: -103.712 bonds (distance) P-C4' energy: -111.353 flat angles C4'-P-C4' energy: -123.071 flat angles P-C4'-P energy: -82.891 tors. eta vs tors. theta energy: -161.748 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: 2, replica: 3 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1864.484712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.484712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.484712 (E_RNA) where: Base-Base interactions energy: -1294.100 where: short stacking energy: -528.993 Base-Backbone interact. energy: -1.415 local terms energy: -568.969612 where: bonds (distance) C4'-P energy: -105.544 bonds (distance) P-C4' energy: -112.066 flat angles C4'-P-C4' energy: -111.919 flat angles P-C4'-P energy: -85.674 tors. eta vs tors. theta energy: -153.767 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: 3, replica: 1 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1792.635558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.635558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.635558 (E_RNA) where: Base-Base interactions energy: -1254.612 where: short stacking energy: -537.537 Base-Backbone interact. energy: 1.196 local terms energy: -539.219338 where: bonds (distance) C4'-P energy: -107.487 bonds (distance) P-C4' energy: -98.293 flat angles C4'-P-C4' energy: -102.829 flat angles P-C4'-P energy: -80.906 tors. eta vs tors. theta energy: -149.704 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: 2 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1783.833200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.833200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.833200 (E_RNA) where: Base-Base interactions energy: -1232.904 where: short stacking energy: -514.644 Base-Backbone interact. energy: -0.930 local terms energy: -549.998678 where: bonds (distance) C4'-P energy: -100.473 bonds (distance) P-C4' energy: -108.900 flat angles C4'-P-C4' energy: -107.480 flat angles P-C4'-P energy: -81.738 tors. eta vs tors. theta energy: -151.407 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: 9 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1672.262929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.262929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.262929 (E_RNA) where: Base-Base interactions energy: -1167.208 where: short stacking energy: -492.823 Base-Backbone interact. energy: 3.206 local terms energy: -508.260318 where: bonds (distance) C4'-P energy: -85.506 bonds (distance) P-C4' energy: -109.906 flat angles C4'-P-C4' energy: -108.748 flat angles P-C4'-P energy: -73.203 tors. eta vs tors. theta energy: -130.897 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: 6, replica: 4 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1660.410076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.410076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.410076 (E_RNA) where: Base-Base interactions energy: -1148.287 where: short stacking energy: -468.357 Base-Backbone interact. energy: -1.123 local terms energy: -510.999665 where: bonds (distance) C4'-P energy: -97.213 bonds (distance) P-C4' energy: -109.110 flat angles C4'-P-C4' energy: -110.728 flat angles P-C4'-P energy: -71.551 tors. eta vs tors. theta energy: -122.397 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: 5 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1502.404308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.404308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.404308 (E_RNA) where: Base-Base interactions energy: -1023.343 where: short stacking energy: -438.415 Base-Backbone interact. energy: 0.052 local terms energy: -479.112897 where: bonds (distance) C4'-P energy: -78.617 bonds (distance) P-C4' energy: -102.180 flat angles C4'-P-C4' energy: -117.743 flat angles P-C4'-P energy: -70.129 tors. eta vs tors. theta energy: -110.444 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: 10 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1290.861459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.861459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.861459 (E_RNA) where: Base-Base interactions energy: -861.637 where: short stacking energy: -368.783 Base-Backbone interact. energy: -1.733 local terms energy: -427.491735 where: bonds (distance) C4'-P energy: -84.923 bonds (distance) P-C4' energy: -103.396 flat angles C4'-P-C4' energy: -89.459 flat angles P-C4'-P energy: -63.230 tors. eta vs tors. theta energy: -86.484 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: 6 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1126.586030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.586030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.586030 (E_RNA) where: Base-Base interactions energy: -722.808 where: short stacking energy: -339.775 Base-Backbone interact. energy: 2.477 local terms energy: -406.254972 where: bonds (distance) C4'-P energy: -92.497 bonds (distance) P-C4' energy: -98.037 flat angles C4'-P-C4' energy: -86.234 flat angles P-C4'-P energy: -60.023 tors. eta vs tors. theta energy: -69.465 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: 10, replica: 7 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -1118.009973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.009973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.009973 (E_RNA) where: Base-Base interactions energy: -723.688 where: short stacking energy: -318.005 Base-Backbone interact. energy: -1.181 local terms energy: -393.141140 where: bonds (distance) C4'-P energy: -92.515 bonds (distance) P-C4' energy: -93.120 flat angles C4'-P-C4' energy: -87.884 flat angles P-C4'-P energy: -66.342 tors. eta vs tors. theta energy: -53.280 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: 8 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1911.113942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.113942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.113942 (E_RNA) where: Base-Base interactions energy: -1345.449 where: short stacking energy: -553.524 Base-Backbone interact. energy: 4.849 local terms energy: -570.514349 where: bonds (distance) C4'-P energy: -95.990 bonds (distance) P-C4' energy: -116.043 flat angles C4'-P-C4' energy: -115.093 flat angles P-C4'-P energy: -87.631 tors. eta vs tors. theta energy: -155.757 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: 3 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1870.975743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.975743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.975743 (E_RNA) where: Base-Base interactions energy: -1306.803 where: short stacking energy: -536.277 Base-Backbone interact. energy: -0.264 local terms energy: -563.908900 where: bonds (distance) C4'-P energy: -104.122 bonds (distance) P-C4' energy: -111.212 flat angles C4'-P-C4' energy: -119.287 flat angles P-C4'-P energy: -76.197 tors. eta vs tors. theta energy: -153.091 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: 3, replica: 2 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1794.620810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.620810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.620810 (E_RNA) where: Base-Base interactions energy: -1241.646 where: short stacking energy: -508.892 Base-Backbone interact. energy: 1.490 local terms energy: -554.464790 where: bonds (distance) C4'-P energy: -103.269 bonds (distance) P-C4' energy: -117.033 flat angles C4'-P-C4' energy: -116.769 flat angles P-C4'-P energy: -75.504 tors. eta vs tors. theta energy: -141.890 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: 4, replica: 1 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1772.328105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.328105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.328105 (E_RNA) where: Base-Base interactions energy: -1234.642 where: short stacking energy: -515.813 Base-Backbone interact. energy: 4.513 local terms energy: -542.199494 where: bonds (distance) C4'-P energy: -100.589 bonds (distance) P-C4' energy: -104.932 flat angles C4'-P-C4' energy: -113.557 flat angles P-C4'-P energy: -82.183 tors. eta vs tors. theta energy: -140.938 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: 5, replica: 4 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1661.849950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.849950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.849950 (E_RNA) where: Base-Base interactions energy: -1161.287 where: short stacking energy: -463.195 Base-Backbone interact. energy: 0.323 local terms energy: -500.885756 where: bonds (distance) C4'-P energy: -91.720 bonds (distance) P-C4' energy: -103.851 flat angles C4'-P-C4' energy: -108.057 flat angles P-C4'-P energy: -73.019 tors. eta vs tors. theta energy: -124.239 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: 9 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1658.675523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.675523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.675523 (E_RNA) where: Base-Base interactions energy: -1156.285 where: short stacking energy: -491.049 Base-Backbone interact. energy: 0.164 local terms energy: -502.554568 where: bonds (distance) C4'-P energy: -84.287 bonds (distance) P-C4' energy: -106.326 flat angles C4'-P-C4' energy: -111.703 flat angles P-C4'-P energy: -71.673 tors. eta vs tors. theta energy: -128.564 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: 7, replica: 5 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1487.926288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.926288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.926288 (E_RNA) where: Base-Base interactions energy: -1023.561 where: short stacking energy: -435.889 Base-Backbone interact. energy: 0.947 local terms energy: -465.311961 where: bonds (distance) C4'-P energy: -98.668 bonds (distance) P-C4' energy: -97.668 flat angles C4'-P-C4' energy: -102.546 flat angles P-C4'-P energy: -54.039 tors. eta vs tors. theta energy: -112.391 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: 8, replica: 10 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1312.538648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.538648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.538648 (E_RNA) where: Base-Base interactions energy: -852.450 where: short stacking energy: -352.605 Base-Backbone interact. energy: -1.518 local terms energy: -458.570652 where: bonds (distance) C4'-P energy: -91.530 bonds (distance) P-C4' energy: -100.017 flat angles C4'-P-C4' energy: -103.676 flat angles P-C4'-P energy: -72.440 tors. eta vs tors. theta energy: -90.908 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: 328 Temperature: 1.300000 Total energy: -1124.300012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.300012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.300012 (E_RNA) where: Base-Base interactions energy: -749.407 where: short stacking energy: -340.189 Base-Backbone interact. energy: 0.580 local terms energy: -375.472664 where: bonds (distance) C4'-P energy: -69.832 bonds (distance) P-C4' energy: -98.299 flat angles C4'-P-C4' energy: -94.214 flat angles P-C4'-P energy: -41.628 tors. eta vs tors. theta energy: -71.500 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: 10, replica: 7 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -1090.133869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.133869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.133869 (E_RNA) where: Base-Base interactions energy: -703.245 where: short stacking energy: -311.438 Base-Backbone interact. energy: -2.037 local terms energy: -384.851904 where: bonds (distance) C4'-P energy: -78.860 bonds (distance) P-C4' energy: -107.711 flat angles C4'-P-C4' energy: -75.419 flat angles P-C4'-P energy: -58.790 tors. eta vs tors. theta energy: -64.072 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: 1, replica: 8 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1913.244259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.244259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.244259 (E_RNA) where: Base-Base interactions energy: -1330.125 where: short stacking energy: -560.782 Base-Backbone interact. energy: -2.502 local terms energy: -580.617278 where: bonds (distance) C4'-P energy: -103.653 bonds (distance) P-C4' energy: -114.609 flat angles C4'-P-C4' energy: -122.326 flat angles P-C4'-P energy: -83.181 tors. eta vs tors. theta energy: -156.847 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: 3 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1887.582441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.582441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.582441 (E_RNA) where: Base-Base interactions energy: -1329.698 where: short stacking energy: -538.666 Base-Backbone interact. energy: -4.177 local terms energy: -553.707581 where: bonds (distance) C4'-P energy: -93.081 bonds (distance) P-C4' energy: -117.202 flat angles C4'-P-C4' energy: -119.246 flat angles P-C4'-P energy: -73.928 tors. eta vs tors. theta energy: -150.250 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: 3, replica: 2 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1826.226546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.226546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.226546 (E_RNA) where: Base-Base interactions energy: -1284.190 where: short stacking energy: -527.613 Base-Backbone interact. energy: 1.690 local terms energy: -543.726949 where: bonds (distance) C4'-P energy: -81.201 bonds (distance) P-C4' energy: -112.351 flat angles C4'-P-C4' energy: -116.315 flat angles P-C4'-P energy: -76.731 tors. eta vs tors. theta energy: -157.129 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: 4, replica: 1 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1803.104778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.104778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.104778 (E_RNA) where: Base-Base interactions energy: -1256.516 where: short stacking energy: -540.843 Base-Backbone interact. energy: -1.699 local terms energy: -544.889619 where: bonds (distance) C4'-P energy: -92.321 bonds (distance) P-C4' energy: -114.302 flat angles C4'-P-C4' energy: -103.886 flat angles P-C4'-P energy: -86.526 tors. eta vs tors. theta energy: -147.854 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: 329 Temperature: 1.100000 Total energy: -1715.969251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.969251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.969251 (E_RNA) where: Base-Base interactions energy: -1205.866 where: short stacking energy: -493.730 Base-Backbone interact. energy: -0.894 local terms energy: -509.208542 where: bonds (distance) C4'-P energy: -97.144 bonds (distance) P-C4' energy: -95.604 flat angles C4'-P-C4' energy: -112.260 flat angles P-C4'-P energy: -67.920 tors. eta vs tors. theta energy: -136.280 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: 6, replica: 9 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1634.429342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.429342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.429342 (E_RNA) where: Base-Base interactions energy: -1155.414 where: short stacking energy: -470.018 Base-Backbone interact. energy: -1.474 local terms energy: -477.542022 where: bonds (distance) C4'-P energy: -76.645 bonds (distance) P-C4' energy: -102.382 flat angles C4'-P-C4' energy: -101.782 flat angles P-C4'-P energy: -74.328 tors. eta vs tors. theta energy: -122.405 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: 7, replica: 5 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1458.061146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.061146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.061146 (E_RNA) where: Base-Base interactions energy: -1006.992 where: short stacking energy: -435.567 Base-Backbone interact. energy: 0.723 local terms energy: -451.792544 where: bonds (distance) C4'-P energy: -79.818 bonds (distance) P-C4' energy: -105.213 flat angles C4'-P-C4' energy: -90.874 flat angles P-C4'-P energy: -67.460 tors. eta vs tors. theta energy: -108.427 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: 8, replica: 10 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1279.779903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.779903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.779903 (E_RNA) where: Base-Base interactions energy: -876.149 where: short stacking energy: -367.230 Base-Backbone interact. energy: 3.417 local terms energy: -407.048650 where: bonds (distance) C4'-P energy: -85.378 bonds (distance) P-C4' energy: -92.593 flat angles C4'-P-C4' energy: -89.996 flat angles P-C4'-P energy: -56.542 tors. eta vs tors. theta energy: -82.540 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: 329 Temperature: 1.300000 Total energy: -1183.021113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.021113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.021113 (E_RNA) where: Base-Base interactions energy: -767.482 where: short stacking energy: -339.314 Base-Backbone interact. energy: 0.839 local terms energy: -416.378367 where: bonds (distance) C4'-P energy: -92.974 bonds (distance) P-C4' energy: -100.918 flat angles C4'-P-C4' energy: -89.815 flat angles P-C4'-P energy: -61.653 tors. eta vs tors. theta energy: -71.018 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: 7 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -1094.445571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.445571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.445571 (E_RNA) where: Base-Base interactions energy: -698.129 where: short stacking energy: -307.479 Base-Backbone interact. energy: 0.838 local terms energy: -397.155027 where: bonds (distance) C4'-P energy: -86.957 bonds (distance) P-C4' energy: -108.787 flat angles C4'-P-C4' energy: -82.719 flat angles P-C4'-P energy: -60.178 tors. eta vs tors. theta energy: -58.514 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: 3 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1914.908020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.908020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.908020 (E_RNA) where: Base-Base interactions energy: -1336.365 where: short stacking energy: -552.769 Base-Backbone interact. energy: -0.627 local terms energy: -577.915892 where: bonds (distance) C4'-P energy: -96.374 bonds (distance) P-C4' energy: -116.324 flat angles C4'-P-C4' energy: -121.685 flat angles P-C4'-P energy: -86.091 tors. eta vs tors. theta energy: -157.441 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: 8 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1897.440845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.440845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.440845 (E_RNA) where: Base-Base interactions energy: -1331.817 where: short stacking energy: -545.740 Base-Backbone interact. energy: -1.050 local terms energy: -564.573872 where: bonds (distance) C4'-P energy: -99.143 bonds (distance) P-C4' energy: -111.501 flat angles C4'-P-C4' energy: -114.070 flat angles P-C4'-P energy: -81.779 tors. eta vs tors. theta energy: -158.080 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: 3, replica: 2 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1813.881921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.881921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.881921 (E_RNA) where: Base-Base interactions energy: -1260.052 where: short stacking energy: -542.377 Base-Backbone interact. energy: -0.267 local terms energy: -553.563256 where: bonds (distance) C4'-P energy: -98.634 bonds (distance) P-C4' energy: -109.024 flat angles C4'-P-C4' energy: -116.306 flat angles P-C4'-P energy: -74.839 tors. eta vs tors. theta energy: -154.760 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: 4, replica: 1 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1762.547902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.547902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.547902 (E_RNA) where: Base-Base interactions energy: -1221.875 where: short stacking energy: -517.872 Base-Backbone interact. energy: -0.561 local terms energy: -540.112461 where: bonds (distance) C4'-P energy: -100.339 bonds (distance) P-C4' energy: -103.243 flat angles C4'-P-C4' energy: -120.288 flat angles P-C4'-P energy: -75.206 tors. eta vs tors. theta energy: -141.036 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: 330 Temperature: 1.100000 Total energy: -1676.378321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.378321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.378321 (E_RNA) where: Base-Base interactions energy: -1168.363 where: short stacking energy: -480.892 Base-Backbone interact. energy: 1.403 local terms energy: -509.418046 where: bonds (distance) C4'-P energy: -92.845 bonds (distance) P-C4' energy: -104.827 flat angles C4'-P-C4' energy: -108.659 flat angles P-C4'-P energy: -69.967 tors. eta vs tors. theta energy: -133.121 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: 9 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1640.405275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.405275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.405275 (E_RNA) where: Base-Base interactions energy: -1133.591 where: short stacking energy: -467.805 Base-Backbone interact. energy: -1.850 local terms energy: -504.963787 where: bonds (distance) C4'-P energy: -92.132 bonds (distance) P-C4' energy: -106.300 flat angles C4'-P-C4' energy: -119.308 flat angles P-C4'-P energy: -68.000 tors. eta vs tors. theta energy: -119.223 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: 5 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1515.211178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.211178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.211178 (E_RNA) where: Base-Base interactions energy: -1046.772 where: short stacking energy: -443.800 Base-Backbone interact. energy: 2.810 local terms energy: -471.248962 where: bonds (distance) C4'-P energy: -89.650 bonds (distance) P-C4' energy: -94.035 flat angles C4'-P-C4' energy: -104.201 flat angles P-C4'-P energy: -75.983 tors. eta vs tors. theta energy: -107.379 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: 10 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1257.275121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.275121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.275121 (E_RNA) where: Base-Base interactions energy: -826.485 where: short stacking energy: -365.533 Base-Backbone interact. energy: 1.168 local terms energy: -431.957759 where: bonds (distance) C4'-P energy: -97.301 bonds (distance) P-C4' energy: -103.600 flat angles C4'-P-C4' energy: -92.411 flat angles P-C4'-P energy: -59.118 tors. eta vs tors. theta energy: -79.527 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: 9, replica: 7 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1172.162760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.162760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.162760 (E_RNA) where: Base-Base interactions energy: -787.304 where: short stacking energy: -347.383 Base-Backbone interact. energy: -0.186 local terms energy: -384.672426 where: bonds (distance) C4'-P energy: -88.825 bonds (distance) P-C4' energy: -89.584 flat angles C4'-P-C4' energy: -79.614 flat angles P-C4'-P energy: -67.965 tors. eta vs tors. theta energy: -58.684 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: 10, replica: 6 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -1140.413259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.413259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.413259 (E_RNA) where: Base-Base interactions energy: -748.642 where: short stacking energy: -312.508 Base-Backbone interact. energy: 0.637 local terms energy: -392.407666 where: bonds (distance) C4'-P energy: -85.417 bonds (distance) P-C4' energy: -105.636 flat angles C4'-P-C4' energy: -84.052 flat angles P-C4'-P energy: -60.645 tors. eta vs tors. theta energy: -56.658 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: 1, replica: 3 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1912.705043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.705043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.705043 (E_RNA) where: Base-Base interactions energy: -1342.881 where: short stacking energy: -558.233 Base-Backbone interact. energy: -0.359 local terms energy: -569.465096 where: bonds (distance) C4'-P energy: -109.653 bonds (distance) P-C4' energy: -113.356 flat angles C4'-P-C4' energy: -116.786 flat angles P-C4'-P energy: -78.128 tors. eta vs tors. theta energy: -151.542 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: 2, replica: 8 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1892.532033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.532033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.532033 (E_RNA) where: Base-Base interactions energy: -1316.146 where: short stacking energy: -543.428 Base-Backbone interact. energy: 1.764 local terms energy: -578.150180 where: bonds (distance) C4'-P energy: -96.048 bonds (distance) P-C4' energy: -113.969 flat angles C4'-P-C4' energy: -122.360 flat angles P-C4'-P energy: -84.199 tors. eta vs tors. theta energy: -161.575 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: 2 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1800.918451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.918451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.918451 (E_RNA) where: Base-Base interactions energy: -1256.940 where: short stacking energy: -506.688 Base-Backbone interact. energy: -2.986 local terms energy: -540.992672 where: bonds (distance) C4'-P energy: -97.257 bonds (distance) P-C4' energy: -96.673 flat angles C4'-P-C4' energy: -117.182 flat angles P-C4'-P energy: -84.036 tors. eta vs tors. theta energy: -145.844 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: 4, replica: 1 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1777.960732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.960732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.960732 (E_RNA) where: Base-Base interactions energy: -1245.838 where: short stacking energy: -506.852 Base-Backbone interact. energy: 0.164 local terms energy: -532.286061 where: bonds (distance) C4'-P energy: -94.415 bonds (distance) P-C4' energy: -109.321 flat angles C4'-P-C4' energy: -109.828 flat angles P-C4'-P energy: -73.022 tors. eta vs tors. theta energy: -145.701 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: 5, replica: 4 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1716.439747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.439747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.439747 (E_RNA) where: Base-Base interactions energy: -1188.192 where: short stacking energy: -496.763 Base-Backbone interact. energy: 1.041 local terms energy: -529.288720 where: bonds (distance) C4'-P energy: -98.781 bonds (distance) P-C4' energy: -102.657 flat angles C4'-P-C4' energy: -105.427 flat angles P-C4'-P energy: -70.051 tors. eta vs tors. theta energy: -152.374 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: 9 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1644.011363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.011363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.011363 (E_RNA) where: Base-Base interactions energy: -1132.636 where: short stacking energy: -467.002 Base-Backbone interact. energy: 1.317 local terms energy: -512.691938 where: bonds (distance) C4'-P energy: -93.852 bonds (distance) P-C4' energy: -118.689 flat angles C4'-P-C4' energy: -100.357 flat angles P-C4'-P energy: -71.317 tors. eta vs tors. theta energy: -128.476 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: 7, replica: 5 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1488.380589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.380589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.380589 (E_RNA) where: Base-Base interactions energy: -1037.879 where: short stacking energy: -432.714 Base-Backbone interact. energy: 4.513 local terms energy: -455.014306 where: bonds (distance) C4'-P energy: -84.089 bonds (distance) P-C4' energy: -89.771 flat angles C4'-P-C4' energy: -108.152 flat angles P-C4'-P energy: -64.765 tors. eta vs tors. theta energy: -108.237 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: 8, replica: 10 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1289.119834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.119834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.119834 (E_RNA) where: Base-Base interactions energy: -862.585 where: short stacking energy: -371.402 Base-Backbone interact. energy: 1.388 local terms energy: -427.922871 where: bonds (distance) C4'-P energy: -85.514 bonds (distance) P-C4' energy: -99.902 flat angles C4'-P-C4' energy: -98.065 flat angles P-C4'-P energy: -67.045 tors. eta vs tors. theta energy: -77.397 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: 7 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1129.667013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.667013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.667013 (E_RNA) where: Base-Base interactions energy: -749.006 where: short stacking energy: -332.605 Base-Backbone interact. energy: -0.375 local terms energy: -380.285737 where: bonds (distance) C4'-P energy: -76.974 bonds (distance) P-C4' energy: -97.402 flat angles C4'-P-C4' energy: -75.449 flat angles P-C4'-P energy: -60.414 tors. eta vs tors. theta energy: -70.046 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: 6 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -1139.232892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.232892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.232892 (E_RNA) where: Base-Base interactions energy: -743.170 where: short stacking energy: -318.187 Base-Backbone interact. energy: -2.267 local terms energy: -393.795753 where: bonds (distance) C4'-P energy: -74.601 bonds (distance) P-C4' energy: -101.713 flat angles C4'-P-C4' energy: -90.124 flat angles P-C4'-P energy: -64.698 tors. eta vs tors. theta energy: -62.660 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: 1, replica: 3 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1899.601309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.601309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.601309 (E_RNA) where: Base-Base interactions energy: -1352.393 where: short stacking energy: -568.903 Base-Backbone interact. energy: 2.895 local terms energy: -550.103075 where: bonds (distance) C4'-P energy: -78.234 bonds (distance) P-C4' energy: -115.405 flat angles C4'-P-C4' energy: -115.731 flat angles P-C4'-P energy: -86.958 tors. eta vs tors. theta energy: -153.775 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: 8 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1884.181576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.181576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.181576 (E_RNA) where: Base-Base interactions energy: -1332.663 where: short stacking energy: -558.537 Base-Backbone interact. energy: -3.142 local terms energy: -548.376221 where: bonds (distance) C4'-P energy: -91.695 bonds (distance) P-C4' energy: -110.299 flat angles C4'-P-C4' energy: -112.409 flat angles P-C4'-P energy: -76.010 tors. eta vs tors. theta energy: -157.964 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: 3, replica: 1 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1792.383200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.383200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.383200 (E_RNA) where: Base-Base interactions energy: -1252.725 where: short stacking energy: -530.783 Base-Backbone interact. energy: -0.008 local terms energy: -539.649446 where: bonds (distance) C4'-P energy: -95.036 bonds (distance) P-C4' energy: -103.285 flat angles C4'-P-C4' energy: -117.604 flat angles P-C4'-P energy: -75.927 tors. eta vs tors. theta energy: -147.797 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: 4, replica: 2 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1795.113650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.113650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.113650 (E_RNA) where: Base-Base interactions energy: -1258.160 where: short stacking energy: -518.901 Base-Backbone interact. energy: -2.504 local terms energy: -534.449526 where: bonds (distance) C4'-P energy: -88.198 bonds (distance) P-C4' energy: -110.960 flat angles C4'-P-C4' energy: -115.032 flat angles P-C4'-P energy: -71.733 tors. eta vs tors. theta energy: -148.526 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: 5, replica: 4 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1699.672778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.672778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.672778 (E_RNA) where: Base-Base interactions energy: -1190.252 where: short stacking energy: -488.307 Base-Backbone interact. energy: 1.119 local terms energy: -510.540096 where: bonds (distance) C4'-P energy: -87.192 bonds (distance) P-C4' energy: -98.324 flat angles C4'-P-C4' energy: -104.380 flat angles P-C4'-P energy: -82.539 tors. eta vs tors. theta energy: -138.106 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: 6, replica: 9 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1639.200606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.200606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.200606 (E_RNA) where: Base-Base interactions energy: -1137.588 where: short stacking energy: -473.265 Base-Backbone interact. energy: -1.061 local terms energy: -500.550858 where: bonds (distance) C4'-P energy: -101.329 bonds (distance) P-C4' energy: -95.896 flat angles C4'-P-C4' energy: -104.866 flat angles P-C4'-P energy: -74.600 tors. eta vs tors. theta energy: -123.860 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: 5 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1480.681486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.681486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.681486 (E_RNA) where: Base-Base interactions energy: -1028.297 where: short stacking energy: -427.110 Base-Backbone interact. energy: 0.008 local terms energy: -452.392583 where: bonds (distance) C4'-P energy: -90.151 bonds (distance) P-C4' energy: -96.719 flat angles C4'-P-C4' energy: -97.853 flat angles P-C4'-P energy: -68.309 tors. eta vs tors. theta energy: -99.361 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: 10 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1271.227075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.227075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.227075 (E_RNA) where: Base-Base interactions energy: -843.904 where: short stacking energy: -377.947 Base-Backbone interact. energy: 2.653 local terms energy: -429.976309 where: bonds (distance) C4'-P energy: -81.676 bonds (distance) P-C4' energy: -109.937 flat angles C4'-P-C4' energy: -101.347 flat angles P-C4'-P energy: -54.603 tors. eta vs tors. theta energy: -82.414 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: 9, replica: 6 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1134.402791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.402791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.402791 (E_RNA) where: Base-Base interactions energy: -742.389 where: short stacking energy: -342.918 Base-Backbone interact. energy: 2.722 local terms energy: -394.735238 where: bonds (distance) C4'-P energy: -79.263 bonds (distance) P-C4' energy: -97.638 flat angles C4'-P-C4' energy: -91.213 flat angles P-C4'-P energy: -56.954 tors. eta vs tors. theta energy: -69.667 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: 10, replica: 7 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -1106.115653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.115653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.115653 (E_RNA) where: Base-Base interactions energy: -720.504 where: short stacking energy: -329.610 Base-Backbone interact. energy: 0.388 local terms energy: -385.999665 where: bonds (distance) C4'-P energy: -82.192 bonds (distance) P-C4' energy: -94.082 flat angles C4'-P-C4' energy: -86.606 flat angles P-C4'-P energy: -60.662 tors. eta vs tors. theta energy: -62.458 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: 3 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1906.959149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.959149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.959149 (E_RNA) where: Base-Base interactions energy: -1339.147 where: short stacking energy: -558.383 Base-Backbone interact. energy: 0.478 local terms energy: -568.290303 where: bonds (distance) C4'-P energy: -102.186 bonds (distance) P-C4' energy: -115.013 flat angles C4'-P-C4' energy: -116.904 flat angles P-C4'-P energy: -80.083 tors. eta vs tors. theta energy: -154.104 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: 2, replica: 8 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1904.535224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.535224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.535224 (E_RNA) where: Base-Base interactions energy: -1332.901 where: short stacking energy: -558.725 Base-Backbone interact. energy: 2.158 local terms energy: -573.792859 where: bonds (distance) C4'-P energy: -99.867 bonds (distance) P-C4' energy: -118.570 flat angles C4'-P-C4' energy: -113.427 flat angles P-C4'-P energy: -85.911 tors. eta vs tors. theta energy: -156.018 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: 3, replica: 1 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1821.601555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.601555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.601555 (E_RNA) where: Base-Base interactions energy: -1267.174 where: short stacking energy: -529.521 Base-Backbone interact. energy: -3.080 local terms energy: -551.347727 where: bonds (distance) C4'-P energy: -86.021 bonds (distance) P-C4' energy: -112.149 flat angles C4'-P-C4' energy: -116.500 flat angles P-C4'-P energy: -86.844 tors. eta vs tors. theta energy: -149.834 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: 4, replica: 2 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1811.873621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.873621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.873621 (E_RNA) where: Base-Base interactions energy: -1260.635 where: short stacking energy: -529.106 Base-Backbone interact. energy: -0.543 local terms energy: -550.695684 where: bonds (distance) C4'-P energy: -88.673 bonds (distance) P-C4' energy: -110.975 flat angles C4'-P-C4' energy: -120.177 flat angles P-C4'-P energy: -79.667 tors. eta vs tors. theta energy: -151.204 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: 5, replica: 4 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1695.700469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.700469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.700469 (E_RNA) where: Base-Base interactions energy: -1186.867 where: short stacking energy: -475.180 Base-Backbone interact. energy: -2.420 local terms energy: -506.413080 where: bonds (distance) C4'-P energy: -91.564 bonds (distance) P-C4' energy: -117.026 flat angles C4'-P-C4' energy: -100.311 flat angles P-C4'-P energy: -73.600 tors. eta vs tors. theta energy: -123.913 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: 6, replica: 9 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1632.230117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.230117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.230117 (E_RNA) where: Base-Base interactions energy: -1127.801 where: short stacking energy: -478.788 Base-Backbone interact. energy: 2.241 local terms energy: -506.670012 where: bonds (distance) C4'-P energy: -99.646 bonds (distance) P-C4' energy: -99.842 flat angles C4'-P-C4' energy: -105.467 flat angles P-C4'-P energy: -74.912 tors. eta vs tors. theta energy: -126.803 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: 5 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1508.848781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.848781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.848781 (E_RNA) where: Base-Base interactions energy: -1026.378 where: short stacking energy: -432.505 Base-Backbone interact. energy: -3.385 local terms energy: -479.085965 where: bonds (distance) C4'-P energy: -82.888 bonds (distance) P-C4' energy: -113.443 flat angles C4'-P-C4' energy: -111.538 flat angles P-C4'-P energy: -59.284 tors. eta vs tors. theta energy: -111.932 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: 8, replica: 10 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1267.210570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.210570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.210570 (E_RNA) where: Base-Base interactions energy: -842.964 where: short stacking energy: -364.476 Base-Backbone interact. energy: -0.276 local terms energy: -423.969970 where: bonds (distance) C4'-P energy: -80.638 bonds (distance) P-C4' energy: -98.652 flat angles C4'-P-C4' energy: -100.897 flat angles P-C4'-P energy: -64.777 tors. eta vs tors. theta energy: -79.006 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: 9, replica: 6 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1160.912285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.912285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.912285 (E_RNA) where: Base-Base interactions energy: -746.511 where: short stacking energy: -337.150 Base-Backbone interact. energy: 2.849 local terms energy: -417.249903 where: bonds (distance) C4'-P energy: -77.338 bonds (distance) P-C4' energy: -101.914 flat angles C4'-P-C4' energy: -93.204 flat angles P-C4'-P energy: -65.612 tors. eta vs tors. theta energy: -79.180 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: 7 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -1105.987682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.987682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.987682 (E_RNA) where: Base-Base interactions energy: -722.661 where: short stacking energy: -319.743 Base-Backbone interact. energy: -0.361 local terms energy: -382.965941 where: bonds (distance) C4'-P energy: -74.523 bonds (distance) P-C4' energy: -99.535 flat angles C4'-P-C4' energy: -97.163 flat angles P-C4'-P energy: -59.339 tors. eta vs tors. theta energy: -52.407 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: 3 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1915.569382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.569382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.569382 (E_RNA) where: Base-Base interactions energy: -1334.942 where: short stacking energy: -558.504 Base-Backbone interact. energy: 0.151 local terms energy: -580.778279 where: bonds (distance) C4'-P energy: -106.081 bonds (distance) P-C4' energy: -113.087 flat angles C4'-P-C4' energy: -125.928 flat angles P-C4'-P energy: -78.251 tors. eta vs tors. theta energy: -157.431 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: 2, replica: 8 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1887.951377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.951377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.951377 (E_RNA) where: Base-Base interactions energy: -1320.938 where: short stacking energy: -547.075 Base-Backbone interact. energy: -1.555 local terms energy: -565.459127 where: bonds (distance) C4'-P energy: -91.179 bonds (distance) P-C4' energy: -121.114 flat angles C4'-P-C4' energy: -119.249 flat angles P-C4'-P energy: -76.325 tors. eta vs tors. theta energy: -157.592 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: 334 Temperature: 1.000000 Total energy: -1807.749871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.749871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.749871 (E_RNA) where: Base-Base interactions energy: -1245.458 where: short stacking energy: -518.035 Base-Backbone interact. energy: -1.402 local terms energy: -560.890005 where: bonds (distance) C4'-P energy: -99.935 bonds (distance) P-C4' energy: -120.334 flat angles C4'-P-C4' energy: -117.112 flat angles P-C4'-P energy: -75.998 tors. eta vs tors. theta energy: -147.511 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: 2 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1807.509970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.509970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.509970 (E_RNA) where: Base-Base interactions energy: -1266.098 where: short stacking energy: -519.178 Base-Backbone interact. energy: -0.130 local terms energy: -541.282131 where: bonds (distance) C4'-P energy: -91.708 bonds (distance) P-C4' energy: -110.548 flat angles C4'-P-C4' energy: -108.856 flat angles P-C4'-P energy: -78.891 tors. eta vs tors. theta energy: -151.279 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: 9 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1667.368783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.368783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.368783 (E_RNA) where: Base-Base interactions energy: -1155.993 where: short stacking energy: -477.206 Base-Backbone interact. energy: -0.101 local terms energy: -511.275124 where: bonds (distance) C4'-P energy: -88.557 bonds (distance) P-C4' energy: -99.373 flat angles C4'-P-C4' energy: -114.672 flat angles P-C4'-P energy: -75.590 tors. eta vs tors. theta energy: -133.083 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: 4 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1656.858639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.858639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.858639 (E_RNA) where: Base-Base interactions energy: -1157.851 where: short stacking energy: -477.720 Base-Backbone interact. energy: 0.422 local terms energy: -499.429526 where: bonds (distance) C4'-P energy: -89.370 bonds (distance) P-C4' energy: -109.012 flat angles C4'-P-C4' energy: -100.468 flat angles P-C4'-P energy: -74.717 tors. eta vs tors. theta energy: -125.862 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: 7, replica: 5 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1497.894478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.894478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.894478 (E_RNA) where: Base-Base interactions energy: -1030.849 where: short stacking energy: -454.247 Base-Backbone interact. energy: 8.885 local terms energy: -475.930625 where: bonds (distance) C4'-P energy: -91.219 bonds (distance) P-C4' energy: -95.139 flat angles C4'-P-C4' energy: -105.527 flat angles P-C4'-P energy: -68.394 tors. eta vs tors. theta energy: -115.651 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: 8, replica: 10 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1268.942584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.942584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.942584 (E_RNA) where: Base-Base interactions energy: -858.629 where: short stacking energy: -381.413 Base-Backbone interact. energy: -0.854 local terms energy: -409.458868 where: bonds (distance) C4'-P energy: -78.539 bonds (distance) P-C4' energy: -98.761 flat angles C4'-P-C4' energy: -98.518 flat angles P-C4'-P energy: -56.909 tors. eta vs tors. theta energy: -76.732 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: 7 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1128.563588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.563588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.563588 (E_RNA) where: Base-Base interactions energy: -722.269 where: short stacking energy: -312.817 Base-Backbone interact. energy: 0.665 local terms energy: -406.960232 where: bonds (distance) C4'-P energy: -94.399 bonds (distance) P-C4' energy: -105.124 flat angles C4'-P-C4' energy: -91.310 flat angles P-C4'-P energy: -59.090 tors. eta vs tors. theta energy: -57.037 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: 6 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -1135.382870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.382870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.382870 (E_RNA) where: Base-Base interactions energy: -724.341 where: short stacking energy: -325.401 Base-Backbone interact. energy: 1.535 local terms energy: -412.577589 where: bonds (distance) C4'-P energy: -82.687 bonds (distance) P-C4' energy: -109.974 flat angles C4'-P-C4' energy: -93.547 flat angles P-C4'-P energy: -51.497 tors. eta vs tors. theta energy: -74.873 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: 3 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1923.807928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.807928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.807928 (E_RNA) where: Base-Base interactions energy: -1353.732 where: short stacking energy: -563.045 Base-Backbone interact. energy: -0.882 local terms energy: -569.193293 where: bonds (distance) C4'-P energy: -104.927 bonds (distance) P-C4' energy: -100.796 flat angles C4'-P-C4' energy: -124.931 flat angles P-C4'-P energy: -80.911 tors. eta vs tors. theta energy: -157.628 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: 2, replica: 8 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1905.975159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.975159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.975159 (E_RNA) where: Base-Base interactions energy: -1347.759 where: short stacking energy: -553.714 Base-Backbone interact. energy: 1.752 local terms energy: -559.968189 where: bonds (distance) C4'-P energy: -100.816 bonds (distance) P-C4' energy: -105.962 flat angles C4'-P-C4' energy: -115.714 flat angles P-C4'-P energy: -81.768 tors. eta vs tors. theta energy: -155.708 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: 3, replica: 1 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1829.676253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.676253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.676253 (E_RNA) where: Base-Base interactions energy: -1286.916 where: short stacking energy: -533.463 Base-Backbone interact. energy: 0.309 local terms energy: -543.068992 where: bonds (distance) C4'-P energy: -78.141 bonds (distance) P-C4' energy: -108.370 flat angles C4'-P-C4' energy: -121.024 flat angles P-C4'-P energy: -77.864 tors. eta vs tors. theta energy: -157.670 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: 2 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1789.760865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.760865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.760865 (E_RNA) where: Base-Base interactions energy: -1269.133 where: short stacking energy: -497.539 Base-Backbone interact. energy: 2.441 local terms energy: -523.068410 where: bonds (distance) C4'-P energy: -89.423 bonds (distance) P-C4' energy: -103.801 flat angles C4'-P-C4' energy: -117.730 flat angles P-C4'-P energy: -70.939 tors. eta vs tors. theta energy: -141.175 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: 5, replica: 9 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1660.760577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.760577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.760577 (E_RNA) where: Base-Base interactions energy: -1157.353 where: short stacking energy: -481.265 Base-Backbone interact. energy: 1.514 local terms energy: -504.921295 where: bonds (distance) C4'-P energy: -91.711 bonds (distance) P-C4' energy: -92.568 flat angles C4'-P-C4' energy: -108.042 flat angles P-C4'-P energy: -82.503 tors. eta vs tors. theta energy: -130.097 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: 6, replica: 4 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1690.865621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.865621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.865621 (E_RNA) where: Base-Base interactions energy: -1188.458 where: short stacking energy: -484.396 Base-Backbone interact. energy: 0.805 local terms energy: -503.213427 where: bonds (distance) C4'-P energy: -82.268 bonds (distance) P-C4' energy: -105.107 flat angles C4'-P-C4' energy: -110.101 flat angles P-C4'-P energy: -77.255 tors. eta vs tors. theta energy: -128.483 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: 5 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1461.683311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.683311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.683311 (E_RNA) where: Base-Base interactions energy: -1002.540 where: short stacking energy: -411.646 Base-Backbone interact. energy: 4.476 local terms energy: -463.619313 where: bonds (distance) C4'-P energy: -89.213 bonds (distance) P-C4' energy: -93.598 flat angles C4'-P-C4' energy: -104.147 flat angles P-C4'-P energy: -68.146 tors. eta vs tors. theta energy: -108.516 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: 8, replica: 7 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1197.907461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.907461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.907461 (E_RNA) where: Base-Base interactions energy: -783.703 where: short stacking energy: -340.061 Base-Backbone interact. energy: -1.024 local terms energy: -413.180181 where: bonds (distance) C4'-P energy: -80.780 bonds (distance) P-C4' energy: -100.328 flat angles C4'-P-C4' energy: -105.628 flat angles P-C4'-P energy: -60.440 tors. eta vs tors. theta energy: -66.005 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: 9, replica: 10 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1244.467525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.467525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.467525 (E_RNA) where: Base-Base interactions energy: -837.910 where: short stacking energy: -371.657 Base-Backbone interact. energy: -1.059 local terms energy: -405.498285 where: bonds (distance) C4'-P energy: -84.963 bonds (distance) P-C4' energy: -84.781 flat angles C4'-P-C4' energy: -99.998 flat angles P-C4'-P energy: -56.656 tors. eta vs tors. theta energy: -79.100 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: 6 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -1114.169872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.169872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.169872 (E_RNA) where: Base-Base interactions energy: -721.115 where: short stacking energy: -316.862 Base-Backbone interact. energy: -2.554 local terms energy: -390.500198 where: bonds (distance) C4'-P energy: -79.329 bonds (distance) P-C4' energy: -103.493 flat angles C4'-P-C4' energy: -92.866 flat angles P-C4'-P energy: -54.935 tors. eta vs tors. theta energy: -59.877 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: 3 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1907.272468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.272468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.272468 (E_RNA) where: Base-Base interactions energy: -1363.044 where: short stacking energy: -555.758 Base-Backbone interact. energy: 1.345 local terms energy: -545.573343 where: bonds (distance) C4'-P energy: -102.500 bonds (distance) P-C4' energy: -100.854 flat angles C4'-P-C4' energy: -110.009 flat angles P-C4'-P energy: -80.590 tors. eta vs tors. theta energy: -151.620 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: 2, replica: 8 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1890.348743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.348743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.348743 (E_RNA) where: Base-Base interactions energy: -1342.787 where: short stacking energy: -563.375 Base-Backbone interact. energy: -0.868 local terms energy: -546.693878 where: bonds (distance) C4'-P energy: -83.604 bonds (distance) P-C4' energy: -117.410 flat angles C4'-P-C4' energy: -112.783 flat angles P-C4'-P energy: -76.602 tors. eta vs tors. theta energy: -156.296 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: 3, replica: 1 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1847.465486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.465486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.465486 (E_RNA) where: Base-Base interactions energy: -1286.544 where: short stacking energy: -539.619 Base-Backbone interact. energy: -2.117 local terms energy: -558.804320 where: bonds (distance) C4'-P energy: -93.837 bonds (distance) P-C4' energy: -113.853 flat angles C4'-P-C4' energy: -119.659 flat angles P-C4'-P energy: -79.184 tors. eta vs tors. theta energy: -152.271 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: 4, replica: 2 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1782.996562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.996562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.996562 (E_RNA) where: Base-Base interactions energy: -1246.679 where: short stacking energy: -521.302 Base-Backbone interact. energy: -0.289 local terms energy: -536.028295 where: bonds (distance) C4'-P energy: -98.225 bonds (distance) P-C4' energy: -104.138 flat angles C4'-P-C4' energy: -110.749 flat angles P-C4'-P energy: -77.973 tors. eta vs tors. theta energy: -144.943 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: 5, replica: 9 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1687.093579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.093579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.093579 (E_RNA) where: Base-Base interactions energy: -1166.920 where: short stacking energy: -487.139 Base-Backbone interact. energy: 2.449 local terms energy: -522.621781 where: bonds (distance) C4'-P energy: -94.479 bonds (distance) P-C4' energy: -99.868 flat angles C4'-P-C4' energy: -109.798 flat angles P-C4'-P energy: -81.840 tors. eta vs tors. theta energy: -136.637 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: 6, replica: 4 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1657.630808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.630808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.630808 (E_RNA) where: Base-Base interactions energy: -1162.071 where: short stacking energy: -496.451 Base-Backbone interact. energy: 5.444 local terms energy: -501.004738 where: bonds (distance) C4'-P energy: -98.497 bonds (distance) P-C4' energy: -97.993 flat angles C4'-P-C4' energy: -101.741 flat angles P-C4'-P energy: -67.453 tors. eta vs tors. theta energy: -135.320 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: 5 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1478.390384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.390384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.390384 (E_RNA) where: Base-Base interactions energy: -992.748 where: short stacking energy: -411.380 Base-Backbone interact. energy: -1.170 local terms energy: -484.471886 where: bonds (distance) C4'-P energy: -93.613 bonds (distance) P-C4' energy: -116.603 flat angles C4'-P-C4' energy: -105.706 flat angles P-C4'-P energy: -67.603 tors. eta vs tors. theta energy: -100.947 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: 8, replica: 7 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1185.737162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.737162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.737162 (E_RNA) where: Base-Base interactions energy: -774.200 where: short stacking energy: -329.952 Base-Backbone interact. energy: -1.723 local terms energy: -409.814401 where: bonds (distance) C4'-P energy: -89.957 bonds (distance) P-C4' energy: -92.100 flat angles C4'-P-C4' energy: -100.826 flat angles P-C4'-P energy: -61.581 tors. eta vs tors. theta energy: -65.350 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: 9, replica: 6 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1159.234922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.234922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.234922 (E_RNA) where: Base-Base interactions energy: -765.200 where: short stacking energy: -350.885 Base-Backbone interact. energy: 3.414 local terms energy: -397.449206 where: bonds (distance) C4'-P energy: -88.096 bonds (distance) P-C4' energy: -79.955 flat angles C4'-P-C4' energy: -103.040 flat angles P-C4'-P energy: -61.854 tors. eta vs tors. theta energy: -64.504 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: 10, replica: 10 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -1260.393339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.393339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.393339 (E_RNA) where: Base-Base interactions energy: -841.674 where: short stacking energy: -353.638 Base-Backbone interact. energy: 3.086 local terms energy: -421.805136 where: bonds (distance) C4'-P energy: -73.927 bonds (distance) P-C4' energy: -110.962 flat angles C4'-P-C4' energy: -90.626 flat angles P-C4'-P energy: -67.405 tors. eta vs tors. theta energy: -78.886 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: 1, replica: 3 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1905.950054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.950054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.950054 (E_RNA) where: Base-Base interactions energy: -1353.692 where: short stacking energy: -554.624 Base-Backbone interact. energy: 1.338 local terms energy: -553.595880 where: bonds (distance) C4'-P energy: -100.424 bonds (distance) P-C4' energy: -108.937 flat angles C4'-P-C4' energy: -113.885 flat angles P-C4'-P energy: -68.375 tors. eta vs tors. theta energy: -161.975 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: 2, replica: 8 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1905.366047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.366047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.366047 (E_RNA) where: Base-Base interactions energy: -1332.666 where: short stacking energy: -551.168 Base-Backbone interact. energy: -1.823 local terms energy: -570.876932 where: bonds (distance) C4'-P energy: -96.395 bonds (distance) P-C4' energy: -111.190 flat angles C4'-P-C4' energy: -124.727 flat angles P-C4'-P energy: -80.295 tors. eta vs tors. theta energy: -158.271 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: 1 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1835.548934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.548934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.548934 (E_RNA) where: Base-Base interactions energy: -1279.626 where: short stacking energy: -538.762 Base-Backbone interact. energy: 0.736 local terms energy: -556.658361 where: bonds (distance) C4'-P energy: -97.332 bonds (distance) P-C4' energy: -114.481 flat angles C4'-P-C4' energy: -113.977 flat angles P-C4'-P energy: -73.041 tors. eta vs tors. theta energy: -157.827 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: 2 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1772.509552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.509552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.509552 (E_RNA) where: Base-Base interactions energy: -1234.807 where: short stacking energy: -504.400 Base-Backbone interact. energy: 0.304 local terms energy: -538.006795 where: bonds (distance) C4'-P energy: -87.409 bonds (distance) P-C4' energy: -114.434 flat angles C4'-P-C4' energy: -113.525 flat angles P-C4'-P energy: -78.941 tors. eta vs tors. theta energy: -143.697 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: 5, replica: 9 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1672.145975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.145975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.145975 (E_RNA) where: Base-Base interactions energy: -1176.948 where: short stacking energy: -490.557 Base-Backbone interact. energy: -0.328 local terms energy: -494.869185 where: bonds (distance) C4'-P energy: -91.023 bonds (distance) P-C4' energy: -97.990 flat angles C4'-P-C4' energy: -110.623 flat angles P-C4'-P energy: -68.991 tors. eta vs tors. theta energy: -126.242 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: 4 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1676.988077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.988077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.988077 (E_RNA) where: Base-Base interactions energy: -1151.928 where: short stacking energy: -495.084 Base-Backbone interact. energy: -2.778 local terms energy: -522.282699 where: bonds (distance) C4'-P energy: -85.384 bonds (distance) P-C4' energy: -110.693 flat angles C4'-P-C4' energy: -112.637 flat angles P-C4'-P energy: -72.240 tors. eta vs tors. theta energy: -141.328 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: 7, replica: 5 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1471.095281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.095281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.095281 (E_RNA) where: Base-Base interactions energy: -992.894 where: short stacking energy: -409.402 Base-Backbone interact. energy: -0.674 local terms energy: -477.527035 where: bonds (distance) C4'-P energy: -79.449 bonds (distance) P-C4' energy: -106.639 flat angles C4'-P-C4' energy: -105.154 flat angles P-C4'-P energy: -70.053 tors. eta vs tors. theta energy: -116.231 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: 7 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1167.194875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.194875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.194875 (E_RNA) where: Base-Base interactions energy: -748.395 where: short stacking energy: -352.487 Base-Backbone interact. energy: -0.960 local terms energy: -417.839362 where: bonds (distance) C4'-P energy: -86.743 bonds (distance) P-C4' energy: -106.052 flat angles C4'-P-C4' energy: -97.397 flat angles P-C4'-P energy: -53.085 tors. eta vs tors. theta energy: -74.562 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: 337 Temperature: 1.300000 Total energy: -1149.662813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.662813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.662813 (E_RNA) where: Base-Base interactions energy: -744.390 where: short stacking energy: -357.736 Base-Backbone interact. energy: 1.042 local terms energy: -406.315362 where: bonds (distance) C4'-P energy: -74.663 bonds (distance) P-C4' energy: -101.458 flat angles C4'-P-C4' energy: -95.691 flat angles P-C4'-P energy: -53.446 tors. eta vs tors. theta energy: -81.057 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: 10 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -1239.102983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.102983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.102983 (E_RNA) where: Base-Base interactions energy: -825.005 where: short stacking energy: -329.194 Base-Backbone interact. energy: 6.911 local terms energy: -421.008037 where: bonds (distance) C4'-P energy: -78.818 bonds (distance) P-C4' energy: -109.632 flat angles C4'-P-C4' energy: -101.276 flat angles P-C4'-P energy: -62.507 tors. eta vs tors. theta energy: -68.775 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: 1, replica: 3 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1900.402115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.402115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.402115 (E_RNA) where: Base-Base interactions energy: -1324.596 where: short stacking energy: -541.906 Base-Backbone interact. energy: 0.070 local terms energy: -575.876426 where: bonds (distance) C4'-P energy: -107.258 bonds (distance) P-C4' energy: -118.184 flat angles C4'-P-C4' energy: -113.873 flat angles P-C4'-P energy: -80.560 tors. eta vs tors. theta energy: -156.002 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: 2, replica: 8 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1897.194960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.194960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.194960 (E_RNA) where: Base-Base interactions energy: -1338.646 where: short stacking energy: -543.559 Base-Backbone interact. energy: -2.395 local terms energy: -556.153609 where: bonds (distance) C4'-P energy: -90.853 bonds (distance) P-C4' energy: -117.877 flat angles C4'-P-C4' energy: -106.908 flat angles P-C4'-P energy: -81.227 tors. eta vs tors. theta energy: -159.289 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: 3, replica: 1 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1836.565497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.565497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.565497 (E_RNA) where: Base-Base interactions energy: -1271.242 where: short stacking energy: -518.506 Base-Backbone interact. energy: -1.783 local terms energy: -563.539900 where: bonds (distance) C4'-P energy: -103.863 bonds (distance) P-C4' energy: -117.376 flat angles C4'-P-C4' energy: -114.407 flat angles P-C4'-P energy: -85.114 tors. eta vs tors. theta energy: -142.780 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: 4, replica: 2 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1749.560095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.560095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.560095 (E_RNA) where: Base-Base interactions energy: -1221.897 where: short stacking energy: -491.329 Base-Backbone interact. energy: 2.491 local terms energy: -530.153934 where: bonds (distance) C4'-P energy: -97.511 bonds (distance) P-C4' energy: -104.667 flat angles C4'-P-C4' energy: -112.974 flat angles P-C4'-P energy: -78.899 tors. eta vs tors. theta energy: -136.102 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: 4 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1709.270289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.270289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.270289 (E_RNA) where: Base-Base interactions energy: -1170.153 where: short stacking energy: -487.339 Base-Backbone interact. energy: -0.672 local terms energy: -538.444699 where: bonds (distance) C4'-P energy: -98.707 bonds (distance) P-C4' energy: -119.211 flat angles C4'-P-C4' energy: -103.298 flat angles P-C4'-P energy: -75.707 tors. eta vs tors. theta energy: -141.522 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: 9 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1679.711882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.711882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.711882 (E_RNA) where: Base-Base interactions energy: -1183.722 where: short stacking energy: -470.685 Base-Backbone interact. energy: -1.297 local terms energy: -494.692778 where: bonds (distance) C4'-P energy: -86.846 bonds (distance) P-C4' energy: -109.323 flat angles C4'-P-C4' energy: -107.232 flat angles P-C4'-P energy: -76.602 tors. eta vs tors. theta energy: -114.691 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: 5 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1489.895447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.895447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.895447 (E_RNA) where: Base-Base interactions energy: -1037.828 where: short stacking energy: -449.301 Base-Backbone interact. energy: 1.247 local terms energy: -453.314033 where: bonds (distance) C4'-P energy: -87.529 bonds (distance) P-C4' energy: -98.618 flat angles C4'-P-C4' energy: -92.458 flat angles P-C4'-P energy: -71.166 tors. eta vs tors. theta energy: -103.543 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: 7 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1206.595280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.595280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.595280 (E_RNA) where: Base-Base interactions energy: -798.929 where: short stacking energy: -381.576 Base-Backbone interact. energy: 2.056 local terms energy: -409.722335 where: bonds (distance) C4'-P energy: -76.444 bonds (distance) P-C4' energy: -88.721 flat angles C4'-P-C4' energy: -104.577 flat angles P-C4'-P energy: -55.244 tors. eta vs tors. theta energy: -84.737 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: 10 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1249.132146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.132146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.132146 (E_RNA) where: Base-Base interactions energy: -854.559 where: short stacking energy: -376.272 Base-Backbone interact. energy: -0.675 local terms energy: -393.898026 where: bonds (distance) C4'-P energy: -95.029 bonds (distance) P-C4' energy: -68.357 flat angles C4'-P-C4' energy: -97.477 flat angles P-C4'-P energy: -57.199 tors. eta vs tors. theta energy: -75.835 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: 6 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -1115.965054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.965054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.965054 (E_RNA) where: Base-Base interactions energy: -718.206 where: short stacking energy: -321.472 Base-Backbone interact. energy: 2.404 local terms energy: -400.162857 where: bonds (distance) C4'-P energy: -84.161 bonds (distance) P-C4' energy: -111.899 flat angles C4'-P-C4' energy: -98.279 flat angles P-C4'-P energy: -48.327 tors. eta vs tors. theta energy: -57.498 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: 1, replica: 3 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1922.906164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.906164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.906164 (E_RNA) where: Base-Base interactions energy: -1358.647 where: short stacking energy: -556.775 Base-Backbone interact. energy: -1.373 local terms energy: -562.885583 where: bonds (distance) C4'-P energy: -96.373 bonds (distance) P-C4' energy: -109.815 flat angles C4'-P-C4' energy: -114.095 flat angles P-C4'-P energy: -87.833 tors. eta vs tors. theta energy: -154.770 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: 2, replica: 1 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1867.242846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.242846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.242846 (E_RNA) where: Base-Base interactions energy: -1307.095 where: short stacking energy: -532.919 Base-Backbone interact. energy: -1.855 local terms energy: -558.292625 where: bonds (distance) C4'-P energy: -105.688 bonds (distance) P-C4' energy: -107.059 flat angles C4'-P-C4' energy: -107.327 flat angles P-C4'-P energy: -75.639 tors. eta vs tors. theta energy: -162.580 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: 3, replica: 8 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1857.802265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.802265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.802265 (E_RNA) where: Base-Base interactions energy: -1301.142 where: short stacking energy: -538.209 Base-Backbone interact. energy: -1.238 local terms energy: -555.422268 where: bonds (distance) C4'-P energy: -94.632 bonds (distance) P-C4' energy: -107.226 flat angles C4'-P-C4' energy: -112.340 flat angles P-C4'-P energy: -83.408 tors. eta vs tors. theta energy: -157.816 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: 2 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1777.869141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.869141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.869141 (E_RNA) where: Base-Base interactions energy: -1226.242 where: short stacking energy: -510.808 Base-Backbone interact. energy: -1.615 local terms energy: -550.012821 where: bonds (distance) C4'-P energy: -104.858 bonds (distance) P-C4' energy: -111.869 flat angles C4'-P-C4' energy: -113.732 flat angles P-C4'-P energy: -79.151 tors. eta vs tors. theta energy: -140.403 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: 4 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1735.147524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.147524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.147524 (E_RNA) where: Base-Base interactions energy: -1219.859 where: short stacking energy: -505.580 Base-Backbone interact. energy: 4.422 local terms energy: -519.710507 where: bonds (distance) C4'-P energy: -87.713 bonds (distance) P-C4' energy: -107.380 flat angles C4'-P-C4' energy: -113.781 flat angles P-C4'-P energy: -79.876 tors. eta vs tors. theta energy: -130.962 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: 6, replica: 9 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1643.856137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.856137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.856137 (E_RNA) where: Base-Base interactions energy: -1162.503 where: short stacking energy: -482.440 Base-Backbone interact. energy: 0.956 local terms energy: -482.309157 where: bonds (distance) C4'-P energy: -96.333 bonds (distance) P-C4' energy: -96.815 flat angles C4'-P-C4' energy: -103.140 flat angles P-C4'-P energy: -63.840 tors. eta vs tors. theta energy: -122.181 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: 7, replica: 5 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1507.938848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.938848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.938848 (E_RNA) where: Base-Base interactions energy: -1038.826 where: short stacking energy: -441.071 Base-Backbone interact. energy: 1.698 local terms energy: -470.811403 where: bonds (distance) C4'-P energy: -78.093 bonds (distance) P-C4' energy: -109.832 flat angles C4'-P-C4' energy: -99.243 flat angles P-C4'-P energy: -64.771 tors. eta vs tors. theta energy: -118.873 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: 8, replica: 10 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1318.945910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.945910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.945910 (E_RNA) where: Base-Base interactions energy: -882.863 where: short stacking energy: -370.818 Base-Backbone interact. energy: 2.953 local terms energy: -439.035683 where: bonds (distance) C4'-P energy: -82.811 bonds (distance) P-C4' energy: -105.060 flat angles C4'-P-C4' energy: -93.635 flat angles P-C4'-P energy: -62.547 tors. eta vs tors. theta energy: -94.984 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: 9, replica: 7 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1142.928562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.928562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.928562 (E_RNA) where: Base-Base interactions energy: -731.534 where: short stacking energy: -317.262 Base-Backbone interact. energy: 0.801 local terms energy: -412.195686 where: bonds (distance) C4'-P energy: -81.471 bonds (distance) P-C4' energy: -109.469 flat angles C4'-P-C4' energy: -102.941 flat angles P-C4'-P energy: -56.478 tors. eta vs tors. theta energy: -61.838 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: 6 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -1109.590745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.590745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.590745 (E_RNA) where: Base-Base interactions energy: -709.194 where: short stacking energy: -311.415 Base-Backbone interact. energy: 2.328 local terms energy: -402.724587 where: bonds (distance) C4'-P energy: -91.264 bonds (distance) P-C4' energy: -108.366 flat angles C4'-P-C4' energy: -79.179 flat angles P-C4'-P energy: -66.566 tors. eta vs tors. theta energy: -57.350 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: 1, replica: 3 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1910.307469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.307469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.307469 (E_RNA) where: Base-Base interactions energy: -1345.620 where: short stacking energy: -558.439 Base-Backbone interact. energy: -0.039 local terms energy: -564.647943 where: bonds (distance) C4'-P energy: -96.493 bonds (distance) P-C4' energy: -108.246 flat angles C4'-P-C4' energy: -113.671 flat angles P-C4'-P energy: -88.762 tors. eta vs tors. theta energy: -157.476 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: 2, replica: 1 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1872.181009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.181009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.181009 (E_RNA) where: Base-Base interactions energy: -1309.160 where: short stacking energy: -545.462 Base-Backbone interact. energy: 1.011 local terms energy: -564.031887 where: bonds (distance) C4'-P energy: -101.322 bonds (distance) P-C4' energy: -112.712 flat angles C4'-P-C4' energy: -110.021 flat angles P-C4'-P energy: -81.809 tors. eta vs tors. theta energy: -158.169 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: 8 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1869.951646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.951646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.951646 (E_RNA) where: Base-Base interactions energy: -1313.962 where: short stacking energy: -537.499 Base-Backbone interact. energy: -2.544 local terms energy: -553.445699 where: bonds (distance) C4'-P energy: -92.438 bonds (distance) P-C4' energy: -108.055 flat angles C4'-P-C4' energy: -114.649 flat angles P-C4'-P energy: -81.233 tors. eta vs tors. theta energy: -157.070 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: 4, replica: 2 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1791.647746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.647746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.647746 (E_RNA) where: Base-Base interactions energy: -1259.618 where: short stacking energy: -515.031 Base-Backbone interact. energy: -0.171 local terms energy: -531.858820 where: bonds (distance) C4'-P energy: -94.205 bonds (distance) P-C4' energy: -98.774 flat angles C4'-P-C4' energy: -121.270 flat angles P-C4'-P energy: -69.659 tors. eta vs tors. theta energy: -147.951 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: 5, replica: 9 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1623.605477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.605477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.605477 (E_RNA) where: Base-Base interactions energy: -1137.998 where: short stacking energy: -474.544 Base-Backbone interact. energy: -1.291 local terms energy: -484.317062 where: bonds (distance) C4'-P energy: -80.161 bonds (distance) P-C4' energy: -86.955 flat angles C4'-P-C4' energy: -112.725 flat angles P-C4'-P energy: -75.234 tors. eta vs tors. theta energy: -129.242 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: 4 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1682.664693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.664693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.664693 (E_RNA) where: Base-Base interactions energy: -1169.460 where: short stacking energy: -470.005 Base-Backbone interact. energy: -1.592 local terms energy: -511.612861 where: bonds (distance) C4'-P energy: -91.532 bonds (distance) P-C4' energy: -104.616 flat angles C4'-P-C4' energy: -106.698 flat angles P-C4'-P energy: -70.629 tors. eta vs tors. theta energy: -138.139 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: 5 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1468.242414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.242414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.242414 (E_RNA) where: Base-Base interactions energy: -997.876 where: short stacking energy: -418.328 Base-Backbone interact. energy: 1.524 local terms energy: -471.890707 where: bonds (distance) C4'-P energy: -87.765 bonds (distance) P-C4' energy: -103.868 flat angles C4'-P-C4' energy: -96.197 flat angles P-C4'-P energy: -78.273 tors. eta vs tors. theta energy: -105.787 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: 8, replica: 10 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1329.569506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.569506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.569506 (E_RNA) where: Base-Base interactions energy: -883.501 where: short stacking energy: -363.940 Base-Backbone interact. energy: -0.928 local terms energy: -445.140500 where: bonds (distance) C4'-P energy: -92.565 bonds (distance) P-C4' energy: -103.392 flat angles C4'-P-C4' energy: -98.437 flat angles P-C4'-P energy: -59.602 tors. eta vs tors. theta energy: -91.145 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: 9, replica: 7 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1126.156717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.156717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.156717 (E_RNA) where: Base-Base interactions energy: -738.272 where: short stacking energy: -328.473 Base-Backbone interact. energy: -1.803 local terms energy: -386.082081 where: bonds (distance) C4'-P energy: -96.067 bonds (distance) P-C4' energy: -86.416 flat angles C4'-P-C4' energy: -82.090 flat angles P-C4'-P energy: -59.110 tors. eta vs tors. theta energy: -62.400 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: 10, replica: 6 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -1139.816546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.816546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.816546 (E_RNA) where: Base-Base interactions energy: -729.584 where: short stacking energy: -337.990 Base-Backbone interact. energy: -0.948 local terms energy: -409.284141 where: bonds (distance) C4'-P energy: -74.505 bonds (distance) P-C4' energy: -104.456 flat angles C4'-P-C4' energy: -93.674 flat angles P-C4'-P energy: -62.422 tors. eta vs tors. theta energy: -74.227 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: 1, replica: 3 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1920.462245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.462245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.462245 (E_RNA) where: Base-Base interactions energy: -1342.155 where: short stacking energy: -551.929 Base-Backbone interact. energy: 2.133 local terms energy: -580.440160 where: bonds (distance) C4'-P energy: -99.391 bonds (distance) P-C4' energy: -112.930 flat angles C4'-P-C4' energy: -118.171 flat angles P-C4'-P energy: -92.771 tors. eta vs tors. theta energy: -157.177 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: 2, replica: 8 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1897.422094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.422094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.422094 (E_RNA) where: Base-Base interactions energy: -1317.848 where: short stacking energy: -552.160 Base-Backbone interact. energy: 0.702 local terms energy: -580.275917 where: bonds (distance) C4'-P energy: -98.743 bonds (distance) P-C4' energy: -111.489 flat angles C4'-P-C4' energy: -119.415 flat angles P-C4'-P energy: -90.251 tors. eta vs tors. theta energy: -160.378 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: 1 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1816.599898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.599898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.599898 (E_RNA) where: Base-Base interactions energy: -1276.418 where: short stacking energy: -541.607 Base-Backbone interact. energy: -0.759 local terms energy: -539.423234 where: bonds (distance) C4'-P energy: -87.234 bonds (distance) P-C4' energy: -101.948 flat angles C4'-P-C4' energy: -111.449 flat angles P-C4'-P energy: -84.318 tors. eta vs tors. theta energy: -154.474 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: 4, replica: 2 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1806.599690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.599690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.599690 (E_RNA) where: Base-Base interactions energy: -1264.909 where: short stacking energy: -524.538 Base-Backbone interact. energy: -0.057 local terms energy: -541.634034 where: bonds (distance) C4'-P energy: -102.884 bonds (distance) P-C4' energy: -105.827 flat angles C4'-P-C4' energy: -111.065 flat angles P-C4'-P energy: -78.393 tors. eta vs tors. theta energy: -143.465 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: 9 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1616.598132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.598132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.598132 (E_RNA) where: Base-Base interactions energy: -1128.488 where: short stacking energy: -455.134 Base-Backbone interact. energy: 4.186 local terms energy: -492.296003 where: bonds (distance) C4'-P energy: -83.533 bonds (distance) P-C4' energy: -106.293 flat angles C4'-P-C4' energy: -101.454 flat angles P-C4'-P energy: -80.359 tors. eta vs tors. theta energy: -120.658 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: 6, replica: 4 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1666.146571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.146571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.146571 (E_RNA) where: Base-Base interactions energy: -1169.486 where: short stacking energy: -484.465 Base-Backbone interact. energy: 1.878 local terms energy: -498.539410 where: bonds (distance) C4'-P energy: -85.530 bonds (distance) P-C4' energy: -112.097 flat angles C4'-P-C4' energy: -100.256 flat angles P-C4'-P energy: -64.304 tors. eta vs tors. theta energy: -136.352 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: 5 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1467.534921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.534921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.534921 (E_RNA) where: Base-Base interactions energy: -993.302 where: short stacking energy: -410.895 Base-Backbone interact. energy: -0.808 local terms energy: -473.424836 where: bonds (distance) C4'-P energy: -87.757 bonds (distance) P-C4' energy: -104.626 flat angles C4'-P-C4' energy: -105.484 flat angles P-C4'-P energy: -72.586 tors. eta vs tors. theta energy: -102.972 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: 8, replica: 10 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1315.575774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.575774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.575774 (E_RNA) where: Base-Base interactions energy: -871.630 where: short stacking energy: -373.774 Base-Backbone interact. energy: 1.122 local terms energy: -445.068002 where: bonds (distance) C4'-P energy: -76.372 bonds (distance) P-C4' energy: -112.737 flat angles C4'-P-C4' energy: -96.044 flat angles P-C4'-P energy: -70.648 tors. eta vs tors. theta energy: -89.266 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: 7 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1145.804059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.804059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.804059 (E_RNA) where: Base-Base interactions energy: -734.265 where: short stacking energy: -342.669 Base-Backbone interact. energy: 1.456 local terms energy: -412.995661 where: bonds (distance) C4'-P energy: -93.907 bonds (distance) P-C4' energy: -100.964 flat angles C4'-P-C4' energy: -96.425 flat angles P-C4'-P energy: -52.978 tors. eta vs tors. theta energy: -68.722 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: 6 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -1118.913625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.913625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.913625 (E_RNA) where: Base-Base interactions energy: -742.392 where: short stacking energy: -315.578 Base-Backbone interact. energy: -0.825 local terms energy: -375.696674 where: bonds (distance) C4'-P energy: -66.917 bonds (distance) P-C4' energy: -102.820 flat angles C4'-P-C4' energy: -91.874 flat angles P-C4'-P energy: -59.636 tors. eta vs tors. theta energy: -54.450 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: 1, replica: 8 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1913.727154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.727154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.727154 (E_RNA) where: Base-Base interactions energy: -1350.188 where: short stacking energy: -573.543 Base-Backbone interact. energy: -0.651 local terms energy: -562.887620 where: bonds (distance) C4'-P energy: -99.714 bonds (distance) P-C4' energy: -112.837 flat angles C4'-P-C4' energy: -112.298 flat angles P-C4'-P energy: -80.270 tors. eta vs tors. theta energy: -157.769 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: 2, replica: 3 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1906.487362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.487362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.487362 (E_RNA) where: Base-Base interactions energy: -1333.486 where: short stacking energy: -550.593 Base-Backbone interact. energy: 0.789 local terms energy: -573.790708 where: bonds (distance) C4'-P energy: -93.181 bonds (distance) P-C4' energy: -124.652 flat angles C4'-P-C4' energy: -112.634 flat angles P-C4'-P energy: -83.902 tors. eta vs tors. theta energy: -159.421 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: 1 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1834.716716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.716716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.716716 (E_RNA) where: Base-Base interactions energy: -1270.525 where: short stacking energy: -523.153 Base-Backbone interact. energy: 0.031 local terms energy: -564.222511 where: bonds (distance) C4'-P energy: -99.872 bonds (distance) P-C4' energy: -107.397 flat angles C4'-P-C4' energy: -116.834 flat angles P-C4'-P energy: -86.655 tors. eta vs tors. theta energy: -153.464 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: 4, replica: 2 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1773.484020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.484020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.484020 (E_RNA) where: Base-Base interactions energy: -1224.602 where: short stacking energy: -490.837 Base-Backbone interact. energy: 2.770 local terms energy: -551.651783 where: bonds (distance) C4'-P energy: -101.089 bonds (distance) P-C4' energy: -110.636 flat angles C4'-P-C4' energy: -118.946 flat angles P-C4'-P energy: -73.200 tors. eta vs tors. theta energy: -147.781 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: 5, replica: 9 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1622.603711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.603711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.603711 (E_RNA) where: Base-Base interactions energy: -1120.562 where: short stacking energy: -463.057 Base-Backbone interact. energy: 5.337 local terms energy: -507.379158 where: bonds (distance) C4'-P energy: -97.697 bonds (distance) P-C4' energy: -106.854 flat angles C4'-P-C4' energy: -110.743 flat angles P-C4'-P energy: -69.465 tors. eta vs tors. theta energy: -122.620 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: 4 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1694.795403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.795403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.795403 (E_RNA) where: Base-Base interactions energy: -1194.686 where: short stacking energy: -483.049 Base-Backbone interact. energy: 1.021 local terms energy: -501.130662 where: bonds (distance) C4'-P energy: -97.266 bonds (distance) P-C4' energy: -99.710 flat angles C4'-P-C4' energy: -115.022 flat angles P-C4'-P energy: -61.181 tors. eta vs tors. theta energy: -127.952 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: 7, replica: 5 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1477.658467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.658467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.658467 (E_RNA) where: Base-Base interactions energy: -1017.783 where: short stacking energy: -417.448 Base-Backbone interact. energy: -1.063 local terms energy: -458.812588 where: bonds (distance) C4'-P energy: -87.477 bonds (distance) P-C4' energy: -93.920 flat angles C4'-P-C4' energy: -104.139 flat angles P-C4'-P energy: -65.439 tors. eta vs tors. theta energy: -107.837 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: 8, replica: 10 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1322.350859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.350859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.350859 (E_RNA) where: Base-Base interactions energy: -894.092 where: short stacking energy: -375.942 Base-Backbone interact. energy: 5.093 local terms energy: -433.351953 where: bonds (distance) C4'-P energy: -86.648 bonds (distance) P-C4' energy: -106.565 flat angles C4'-P-C4' energy: -101.372 flat angles P-C4'-P energy: -63.078 tors. eta vs tors. theta energy: -75.689 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: 9, replica: 7 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1118.227489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.227489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.227489 (E_RNA) where: Base-Base interactions energy: -730.626 where: short stacking energy: -315.157 Base-Backbone interact. energy: -2.110 local terms energy: -385.491548 where: bonds (distance) C4'-P energy: -81.773 bonds (distance) P-C4' energy: -101.995 flat angles C4'-P-C4' energy: -69.212 flat angles P-C4'-P energy: -64.872 tors. eta vs tors. theta energy: -67.639 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: 10, replica: 6 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -1083.705169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.705169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.705169 (E_RNA) where: Base-Base interactions energy: -694.118 where: short stacking energy: -325.525 Base-Backbone interact. energy: 0.878 local terms energy: -390.464832 where: bonds (distance) C4'-P energy: -90.924 bonds (distance) P-C4' energy: -96.656 flat angles C4'-P-C4' energy: -84.974 flat angles P-C4'-P energy: -55.516 tors. eta vs tors. theta energy: -62.395 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: 1, replica: 8 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1904.291961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.291961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.291961 (E_RNA) where: Base-Base interactions energy: -1348.980 where: short stacking energy: -565.816 Base-Backbone interact. energy: -2.793 local terms energy: -552.519573 where: bonds (distance) C4'-P energy: -103.268 bonds (distance) P-C4' energy: -105.978 flat angles C4'-P-C4' energy: -114.133 flat angles P-C4'-P energy: -71.551 tors. eta vs tors. theta energy: -157.589 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: 2, replica: 1 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1863.104285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.104285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.104285 (E_RNA) where: Base-Base interactions energy: -1306.548 where: short stacking energy: -540.845 Base-Backbone interact. energy: 2.344 local terms energy: -558.899912 where: bonds (distance) C4'-P energy: -94.093 bonds (distance) P-C4' energy: -110.894 flat angles C4'-P-C4' energy: -114.684 flat angles P-C4'-P energy: -77.064 tors. eta vs tors. theta energy: -162.164 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: 3, replica: 3 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1866.495827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.495827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.495827 (E_RNA) where: Base-Base interactions energy: -1336.598 where: short stacking energy: -546.980 Base-Backbone interact. energy: 1.609 local terms energy: -531.506424 where: bonds (distance) C4'-P energy: -80.058 bonds (distance) P-C4' energy: -108.374 flat angles C4'-P-C4' energy: -107.897 flat angles P-C4'-P energy: -82.278 tors. eta vs tors. theta energy: -152.900 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: 2 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1775.777918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.777918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.777918 (E_RNA) where: Base-Base interactions energy: -1235.673 where: short stacking energy: -524.154 Base-Backbone interact. energy: -2.537 local terms energy: -537.567780 where: bonds (distance) C4'-P energy: -97.114 bonds (distance) P-C4' energy: -110.730 flat angles C4'-P-C4' energy: -114.484 flat angles P-C4'-P energy: -71.004 tors. eta vs tors. theta energy: -144.236 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: 9 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1627.080325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.080325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.080325 (E_RNA) where: Base-Base interactions energy: -1106.507 where: short stacking energy: -479.375 Base-Backbone interact. energy: 0.546 local terms energy: -521.119757 where: bonds (distance) C4'-P energy: -92.601 bonds (distance) P-C4' energy: -107.788 flat angles C4'-P-C4' energy: -118.270 flat angles P-C4'-P energy: -75.952 tors. eta vs tors. theta energy: -126.509 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: 6, replica: 4 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1692.896675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.896675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.896675 (E_RNA) where: Base-Base interactions energy: -1189.739 where: short stacking energy: -489.886 Base-Backbone interact. energy: 3.221 local terms energy: -506.378568 where: bonds (distance) C4'-P energy: -87.728 bonds (distance) P-C4' energy: -105.628 flat angles C4'-P-C4' energy: -106.935 flat angles P-C4'-P energy: -78.770 tors. eta vs tors. theta energy: -127.318 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: 7, replica: 5 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1487.475607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.475607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.475607 (E_RNA) where: Base-Base interactions energy: -994.786 where: short stacking energy: -427.003 Base-Backbone interact. energy: 3.075 local terms energy: -495.764935 where: bonds (distance) C4'-P energy: -100.610 bonds (distance) P-C4' energy: -103.163 flat angles C4'-P-C4' energy: -110.086 flat angles P-C4'-P energy: -71.840 tors. eta vs tors. theta energy: -110.065 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: 8, replica: 10 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1374.911448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.911448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.911448 (E_RNA) where: Base-Base interactions energy: -945.896 where: short stacking energy: -398.093 Base-Backbone interact. energy: -0.685 local terms energy: -428.329749 where: bonds (distance) C4'-P energy: -79.214 bonds (distance) P-C4' energy: -100.279 flat angles C4'-P-C4' energy: -97.599 flat angles P-C4'-P energy: -57.760 tors. eta vs tors. theta energy: -93.478 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: 7 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1128.571608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.571608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.571608 (E_RNA) where: Base-Base interactions energy: -745.629 where: short stacking energy: -324.134 Base-Backbone interact. energy: 1.338 local terms energy: -384.280221 where: bonds (distance) C4'-P energy: -84.081 bonds (distance) P-C4' energy: -83.810 flat angles C4'-P-C4' energy: -86.820 flat angles P-C4'-P energy: -70.840 tors. eta vs tors. theta energy: -58.729 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: 6 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -1142.264755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.264755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.264755 (E_RNA) where: Base-Base interactions energy: -727.379 where: short stacking energy: -328.732 Base-Backbone interact. energy: -0.840 local terms energy: -414.045830 where: bonds (distance) C4'-P energy: -76.587 bonds (distance) P-C4' energy: -106.551 flat angles C4'-P-C4' energy: -99.345 flat angles P-C4'-P energy: -63.691 tors. eta vs tors. theta energy: -67.872 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: 1, replica: 1 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1907.134969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.134969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.134969 (E_RNA) where: Base-Base interactions energy: -1328.380 where: short stacking energy: -546.189 Base-Backbone interact. energy: -2.201 local terms energy: -576.554279 where: bonds (distance) C4'-P energy: -102.333 bonds (distance) P-C4' energy: -110.575 flat angles C4'-P-C4' energy: -126.142 flat angles P-C4'-P energy: -79.429 tors. eta vs tors. theta energy: -158.075 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: 8 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1890.569486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.569486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.569486 (E_RNA) where: Base-Base interactions energy: -1321.385 where: short stacking energy: -549.563 Base-Backbone interact. energy: 1.918 local terms energy: -571.102684 where: bonds (distance) C4'-P energy: -95.083 bonds (distance) P-C4' energy: -112.735 flat angles C4'-P-C4' energy: -125.645 flat angles P-C4'-P energy: -81.009 tors. eta vs tors. theta energy: -156.631 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: 3, replica: 3 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1872.729886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.729886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.729886 (E_RNA) where: Base-Base interactions energy: -1317.406 where: short stacking energy: -522.101 Base-Backbone interact. energy: -1.090 local terms energy: -554.234279 where: bonds (distance) C4'-P energy: -95.634 bonds (distance) P-C4' energy: -111.061 flat angles C4'-P-C4' energy: -124.653 flat angles P-C4'-P energy: -66.843 tors. eta vs tors. theta energy: -156.044 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: 4, replica: 2 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1799.484809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.484809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.484809 (E_RNA) where: Base-Base interactions energy: -1241.301 where: short stacking energy: -514.972 Base-Backbone interact. energy: -1.920 local terms energy: -556.264230 where: bonds (distance) C4'-P energy: -93.709 bonds (distance) P-C4' energy: -113.909 flat angles C4'-P-C4' energy: -115.748 flat angles P-C4'-P energy: -81.180 tors. eta vs tors. theta energy: -151.719 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: 5, replica: 4 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1741.948278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.948278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.948278 (E_RNA) where: Base-Base interactions energy: -1246.264 where: short stacking energy: -500.742 Base-Backbone interact. energy: -1.727 local terms energy: -493.957334 where: bonds (distance) C4'-P energy: -86.096 bonds (distance) P-C4' energy: -94.027 flat angles C4'-P-C4' energy: -109.804 flat angles P-C4'-P energy: -61.588 tors. eta vs tors. theta energy: -142.441 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: 6, replica: 9 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1632.976958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.976958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.976958 (E_RNA) where: Base-Base interactions energy: -1143.846 where: short stacking energy: -476.994 Base-Backbone interact. energy: 3.074 local terms energy: -492.205107 where: bonds (distance) C4'-P energy: -87.239 bonds (distance) P-C4' energy: -89.667 flat angles C4'-P-C4' energy: -106.163 flat angles P-C4'-P energy: -85.672 tors. eta vs tors. theta energy: -123.464 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: 7, replica: 5 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1491.805604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.805604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.805604 (E_RNA) where: Base-Base interactions energy: -1020.503 where: short stacking energy: -447.577 Base-Backbone interact. energy: 0.357 local terms energy: -471.659494 where: bonds (distance) C4'-P energy: -95.223 bonds (distance) P-C4' energy: -101.602 flat angles C4'-P-C4' energy: -96.115 flat angles P-C4'-P energy: -56.368 tors. eta vs tors. theta energy: -122.352 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: 10 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1413.772657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.772657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.772657 (E_RNA) where: Base-Base interactions energy: -959.035 where: short stacking energy: -411.964 Base-Backbone interact. energy: 3.212 local terms energy: -457.950130 where: bonds (distance) C4'-P energy: -89.953 bonds (distance) P-C4' energy: -95.107 flat angles C4'-P-C4' energy: -114.354 flat angles P-C4'-P energy: -55.945 tors. eta vs tors. theta energy: -102.591 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: 344 Temperature: 1.300000 Total energy: -1148.919760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.919760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.919760 (E_RNA) where: Base-Base interactions energy: -746.643 where: short stacking energy: -333.328 Base-Backbone interact. energy: 3.661 local terms energy: -405.937443 where: bonds (distance) C4'-P energy: -81.125 bonds (distance) P-C4' energy: -101.819 flat angles C4'-P-C4' energy: -106.752 flat angles P-C4'-P energy: -56.558 tors. eta vs tors. theta energy: -59.683 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: 10, replica: 7 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -1090.117442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.117442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.117442 (E_RNA) where: Base-Base interactions energy: -692.596 where: short stacking energy: -304.056 Base-Backbone interact. energy: -0.735 local terms energy: -396.786788 where: bonds (distance) C4'-P energy: -79.354 bonds (distance) P-C4' energy: -102.047 flat angles C4'-P-C4' energy: -91.095 flat angles P-C4'-P energy: -67.313 tors. eta vs tors. theta energy: -56.978 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: 1, replica: 1 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1878.719506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.719506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.719506 (E_RNA) where: Base-Base interactions energy: -1323.473 where: short stacking energy: -534.159 Base-Backbone interact. energy: 0.372 local terms energy: -555.618182 where: bonds (distance) C4'-P energy: -102.275 bonds (distance) P-C4' energy: -114.750 flat angles C4'-P-C4' energy: -107.858 flat angles P-C4'-P energy: -75.943 tors. eta vs tors. theta energy: -154.792 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: 8 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1887.419624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.419624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.419624 (E_RNA) where: Base-Base interactions energy: -1324.938 where: short stacking energy: -550.730 Base-Backbone interact. energy: -2.644 local terms energy: -559.838344 where: bonds (distance) C4'-P energy: -96.264 bonds (distance) P-C4' energy: -113.538 flat angles C4'-P-C4' energy: -118.957 flat angles P-C4'-P energy: -75.596 tors. eta vs tors. theta energy: -155.483 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: 3, replica: 3 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1866.719824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.719824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.719824 (E_RNA) where: Base-Base interactions energy: -1310.326 where: short stacking energy: -539.264 Base-Backbone interact. energy: 3.048 local terms energy: -559.442217 where: bonds (distance) C4'-P energy: -99.352 bonds (distance) P-C4' energy: -107.127 flat angles C4'-P-C4' energy: -118.269 flat angles P-C4'-P energy: -79.434 tors. eta vs tors. theta energy: -155.260 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: 4, replica: 2 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1784.810779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.810779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.810779 (E_RNA) where: Base-Base interactions energy: -1245.754 where: short stacking energy: -513.375 Base-Backbone interact. energy: 4.228 local terms energy: -543.285565 where: bonds (distance) C4'-P energy: -105.554 bonds (distance) P-C4' energy: -108.401 flat angles C4'-P-C4' energy: -103.256 flat angles P-C4'-P energy: -86.554 tors. eta vs tors. theta energy: -139.522 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: 4 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1736.744290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.744290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.744290 (E_RNA) where: Base-Base interactions energy: -1218.139 where: short stacking energy: -502.179 Base-Backbone interact. energy: -0.589 local terms energy: -518.016152 where: bonds (distance) C4'-P energy: -91.742 bonds (distance) P-C4' energy: -107.061 flat angles C4'-P-C4' energy: -106.135 flat angles P-C4'-P energy: -78.436 tors. eta vs tors. theta energy: -134.642 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: 6, replica: 9 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1627.603167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.603167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.603167 (E_RNA) where: Base-Base interactions energy: -1137.845 where: short stacking energy: -470.801 Base-Backbone interact. energy: 0.779 local terms energy: -490.537226 where: bonds (distance) C4'-P energy: -95.295 bonds (distance) P-C4' energy: -105.904 flat angles C4'-P-C4' energy: -100.682 flat angles P-C4'-P energy: -65.208 tors. eta vs tors. theta energy: -123.448 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: 5 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1457.739499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.739499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.739499 (E_RNA) where: Base-Base interactions energy: -998.778 where: short stacking energy: -405.391 Base-Backbone interact. energy: 2.535 local terms energy: -461.496554 where: bonds (distance) C4'-P energy: -88.538 bonds (distance) P-C4' energy: -99.357 flat angles C4'-P-C4' energy: -100.293 flat angles P-C4'-P energy: -63.993 tors. eta vs tors. theta energy: -109.316 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: 8, replica: 10 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1399.045449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.045449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.045449 (E_RNA) where: Base-Base interactions energy: -942.365 where: short stacking energy: -400.938 Base-Backbone interact. energy: 0.596 local terms energy: -457.276875 where: bonds (distance) C4'-P energy: -94.504 bonds (distance) P-C4' energy: -91.693 flat angles C4'-P-C4' energy: -104.842 flat angles P-C4'-P energy: -69.695 tors. eta vs tors. theta energy: -96.544 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: 345 Temperature: 1.300000 Total energy: -1113.481250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.481250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.481250 (E_RNA) where: Base-Base interactions energy: -717.645 where: short stacking energy: -322.884 Base-Backbone interact. energy: -0.907 local terms energy: -394.929679 where: bonds (distance) C4'-P energy: -83.518 bonds (distance) P-C4' energy: -109.279 flat angles C4'-P-C4' energy: -69.238 flat angles P-C4'-P energy: -64.572 tors. eta vs tors. theta energy: -68.322 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: 7 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -1137.731500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.731500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.731500 (E_RNA) where: Base-Base interactions energy: -721.559 where: short stacking energy: -321.619 Base-Backbone interact. energy: 4.728 local terms energy: -420.900801 where: bonds (distance) C4'-P energy: -87.428 bonds (distance) P-C4' energy: -107.872 flat angles C4'-P-C4' energy: -88.619 flat angles P-C4'-P energy: -71.542 tors. eta vs tors. theta energy: -65.439 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: 8 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1914.250330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.250330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.250330 (E_RNA) where: Base-Base interactions energy: -1338.824 where: short stacking energy: -539.910 Base-Backbone interact. energy: 0.987 local terms energy: -576.413721 where: bonds (distance) C4'-P energy: -101.747 bonds (distance) P-C4' energy: -118.813 flat angles C4'-P-C4' energy: -123.748 flat angles P-C4'-P energy: -78.671 tors. eta vs tors. theta energy: -153.434 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: 2, replica: 1 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1889.669058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.669058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.669058 (E_RNA) where: Base-Base interactions energy: -1319.824 where: short stacking energy: -549.456 Base-Backbone interact. energy: 1.090 local terms energy: -570.935245 where: bonds (distance) C4'-P energy: -101.138 bonds (distance) P-C4' energy: -114.653 flat angles C4'-P-C4' energy: -114.404 flat angles P-C4'-P energy: -87.477 tors. eta vs tors. theta energy: -153.265 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: 3 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1852.279426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.279426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.279426 (E_RNA) where: Base-Base interactions energy: -1304.558 where: short stacking energy: -540.142 Base-Backbone interact. energy: 1.077 local terms energy: -548.798659 where: bonds (distance) C4'-P energy: -94.160 bonds (distance) P-C4' energy: -95.384 flat angles C4'-P-C4' energy: -124.187 flat angles P-C4'-P energy: -81.807 tors. eta vs tors. theta energy: -153.261 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: 2 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1802.777116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.777116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.777116 (E_RNA) where: Base-Base interactions energy: -1268.446 where: short stacking energy: -538.936 Base-Backbone interact. energy: 1.663 local terms energy: -535.993706 where: bonds (distance) C4'-P energy: -96.402 bonds (distance) P-C4' energy: -102.475 flat angles C4'-P-C4' energy: -105.529 flat angles P-C4'-P energy: -79.623 tors. eta vs tors. theta energy: -151.964 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: 5, replica: 4 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1758.937580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.937580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.937580 (E_RNA) where: Base-Base interactions energy: -1250.230 where: short stacking energy: -507.516 Base-Backbone interact. energy: -1.853 local terms energy: -506.854243 where: bonds (distance) C4'-P energy: -96.131 bonds (distance) P-C4' energy: -102.770 flat angles C4'-P-C4' energy: -102.487 flat angles P-C4'-P energy: -70.065 tors. eta vs tors. theta energy: -135.401 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: 6, replica: 9 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1622.798408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.798408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.798408 (E_RNA) where: Base-Base interactions energy: -1143.719 where: short stacking energy: -476.611 Base-Backbone interact. energy: 1.095 local terms energy: -480.173783 where: bonds (distance) C4'-P energy: -60.132 bonds (distance) P-C4' energy: -111.626 flat angles C4'-P-C4' energy: -112.535 flat angles P-C4'-P energy: -65.888 tors. eta vs tors. theta energy: -129.993 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: 7, replica: 10 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1407.051432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.051432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.051432 (E_RNA) where: Base-Base interactions energy: -963.054 where: short stacking energy: -407.749 Base-Backbone interact. energy: 5.473 local terms energy: -449.470157 where: bonds (distance) C4'-P energy: -90.200 bonds (distance) P-C4' energy: -99.372 flat angles C4'-P-C4' energy: -98.894 flat angles P-C4'-P energy: -66.805 tors. eta vs tors. theta energy: -94.199 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: 8, replica: 5 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1416.902877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.902877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.902877 (E_RNA) where: Base-Base interactions energy: -979.687 where: short stacking energy: -403.723 Base-Backbone interact. energy: 3.026 local terms energy: -440.241333 where: bonds (distance) C4'-P energy: -81.602 bonds (distance) P-C4' energy: -102.866 flat angles C4'-P-C4' energy: -86.594 flat angles P-C4'-P energy: -67.714 tors. eta vs tors. theta energy: -101.465 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: 346 Temperature: 1.300000 Total energy: -1128.616919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.616919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.616919 (E_RNA) where: Base-Base interactions energy: -712.266 where: short stacking energy: -330.157 Base-Backbone interact. energy: 5.363 local terms energy: -421.713492 where: bonds (distance) C4'-P energy: -91.302 bonds (distance) P-C4' energy: -101.386 flat angles C4'-P-C4' energy: -93.554 flat angles P-C4'-P energy: -67.011 tors. eta vs tors. theta energy: -68.461 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: 10, replica: 7 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -1142.061595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.061595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.061595 (E_RNA) where: Base-Base interactions energy: -752.920 where: short stacking energy: -321.792 Base-Backbone interact. energy: 2.487 local terms energy: -391.628443 where: bonds (distance) C4'-P energy: -78.816 bonds (distance) P-C4' energy: -105.265 flat angles C4'-P-C4' energy: -84.655 flat angles P-C4'-P energy: -57.440 tors. eta vs tors. theta energy: -65.453 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: 8 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1913.814455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.814455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.814455 (E_RNA) where: Base-Base interactions energy: -1349.397 where: short stacking energy: -571.928 Base-Backbone interact. energy: -1.754 local terms energy: -562.663552 where: bonds (distance) C4'-P energy: -101.230 bonds (distance) P-C4' energy: -105.773 flat angles C4'-P-C4' energy: -116.981 flat angles P-C4'-P energy: -77.427 tors. eta vs tors. theta energy: -161.253 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: 2, replica: 1 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1873.533297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.533297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.533297 (E_RNA) where: Base-Base interactions energy: -1316.104 where: short stacking energy: -548.129 Base-Backbone interact. energy: -0.797 local terms energy: -556.632479 where: bonds (distance) C4'-P energy: -105.771 bonds (distance) P-C4' energy: -108.508 flat angles C4'-P-C4' energy: -110.436 flat angles P-C4'-P energy: -80.182 tors. eta vs tors. theta energy: -151.735 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: 3, replica: 3 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1863.028570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.028570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.028570 (E_RNA) where: Base-Base interactions energy: -1296.588 where: short stacking energy: -533.950 Base-Backbone interact. energy: -1.084 local terms energy: -565.356743 where: bonds (distance) C4'-P energy: -103.867 bonds (distance) P-C4' energy: -112.948 flat angles C4'-P-C4' energy: -118.409 flat angles P-C4'-P energy: -73.998 tors. eta vs tors. theta energy: -156.134 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: 2 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1779.516347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.516347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.516347 (E_RNA) where: Base-Base interactions energy: -1252.088 where: short stacking energy: -507.203 Base-Backbone interact. energy: -0.753 local terms energy: -526.675808 where: bonds (distance) C4'-P energy: -88.304 bonds (distance) P-C4' energy: -103.274 flat angles C4'-P-C4' energy: -111.901 flat angles P-C4'-P energy: -72.390 tors. eta vs tors. theta energy: -150.807 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: 347 Temperature: 1.100000 Total energy: -1731.006074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.006074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.006074 (E_RNA) where: Base-Base interactions energy: -1218.931 where: short stacking energy: -497.764 Base-Backbone interact. energy: -0.248 local terms energy: -511.827834 where: bonds (distance) C4'-P energy: -98.160 bonds (distance) P-C4' energy: -103.944 flat angles C4'-P-C4' energy: -101.753 flat angles P-C4'-P energy: -72.159 tors. eta vs tors. theta energy: -135.812 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: 9 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1672.804216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.804216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.804216 (E_RNA) where: Base-Base interactions energy: -1145.755 where: short stacking energy: -480.194 Base-Backbone interact. energy: 2.332 local terms energy: -529.381274 where: bonds (distance) C4'-P energy: -106.877 bonds (distance) P-C4' energy: -88.602 flat angles C4'-P-C4' energy: -110.543 flat angles P-C4'-P energy: -75.882 tors. eta vs tors. theta energy: -147.477 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: 7, replica: 10 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1395.021142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.021142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.021142 (E_RNA) where: Base-Base interactions energy: -931.124 where: short stacking energy: -411.620 Base-Backbone interact. energy: 0.779 local terms energy: -464.676728 where: bonds (distance) C4'-P energy: -99.065 bonds (distance) P-C4' energy: -92.843 flat angles C4'-P-C4' energy: -108.232 flat angles P-C4'-P energy: -65.812 tors. eta vs tors. theta energy: -98.725 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: 5 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1422.481111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.481111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.481111 (E_RNA) where: Base-Base interactions energy: -947.078 where: short stacking energy: -405.177 Base-Backbone interact. energy: 1.441 local terms energy: -476.844238 where: bonds (distance) C4'-P energy: -88.250 bonds (distance) P-C4' energy: -102.609 flat angles C4'-P-C4' energy: -112.413 flat angles P-C4'-P energy: -74.517 tors. eta vs tors. theta energy: -99.054 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: 9, replica: 6 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1156.523213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.523213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.523213 (E_RNA) where: Base-Base interactions energy: -750.873 where: short stacking energy: -320.260 Base-Backbone interact. energy: 0.813 local terms energy: -406.463305 where: bonds (distance) C4'-P energy: -102.025 bonds (distance) P-C4' energy: -108.675 flat angles C4'-P-C4' energy: -82.765 flat angles P-C4'-P energy: -54.890 tors. eta vs tors. theta energy: -58.108 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: 7 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -1096.098197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.098197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.098197 (E_RNA) where: Base-Base interactions energy: -689.624 where: short stacking energy: -320.961 Base-Backbone interact. energy: 2.464 local terms energy: -408.938586 where: bonds (distance) C4'-P energy: -95.079 bonds (distance) P-C4' energy: -101.594 flat angles C4'-P-C4' energy: -96.404 flat angles P-C4'-P energy: -57.695 tors. eta vs tors. theta energy: -58.167 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: 1 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1900.595476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.595476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.595476 (E_RNA) where: Base-Base interactions energy: -1324.866 where: short stacking energy: -545.740 Base-Backbone interact. energy: 1.154 local terms energy: -576.883330 where: bonds (distance) C4'-P energy: -104.888 bonds (distance) P-C4' energy: -114.818 flat angles C4'-P-C4' energy: -119.749 flat angles P-C4'-P energy: -79.778 tors. eta vs tors. theta energy: -157.651 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: 8 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1908.260979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.260979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.260979 (E_RNA) where: Base-Base interactions energy: -1340.481 where: short stacking energy: -550.886 Base-Backbone interact. energy: 4.645 local terms energy: -572.424832 where: bonds (distance) C4'-P energy: -103.255 bonds (distance) P-C4' energy: -120.458 flat angles C4'-P-C4' energy: -117.649 flat angles P-C4'-P energy: -72.779 tors. eta vs tors. theta energy: -158.283 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: 3 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1879.435015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.435015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.435015 (E_RNA) where: Base-Base interactions energy: -1327.025 where: short stacking energy: -561.384 Base-Backbone interact. energy: -0.135 local terms energy: -552.275261 where: bonds (distance) C4'-P energy: -94.368 bonds (distance) P-C4' energy: -109.332 flat angles C4'-P-C4' energy: -116.682 flat angles P-C4'-P energy: -75.751 tors. eta vs tors. theta energy: -156.142 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: 2 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1805.331511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.331511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.331511 (E_RNA) where: Base-Base interactions energy: -1252.204 where: short stacking energy: -511.594 Base-Backbone interact. energy: -2.005 local terms energy: -551.122170 where: bonds (distance) C4'-P energy: -95.566 bonds (distance) P-C4' energy: -107.668 flat angles C4'-P-C4' energy: -114.750 flat angles P-C4'-P energy: -79.414 tors. eta vs tors. theta energy: -153.724 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: 5, replica: 4 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1718.374026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.374026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.374026 (E_RNA) where: Base-Base interactions energy: -1201.877 where: short stacking energy: -498.510 Base-Backbone interact. energy: -1.186 local terms energy: -515.311232 where: bonds (distance) C4'-P energy: -88.072 bonds (distance) P-C4' energy: -110.744 flat angles C4'-P-C4' energy: -112.080 flat angles P-C4'-P energy: -69.386 tors. eta vs tors. theta energy: -135.028 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: 6, replica: 9 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1648.160540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.160540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.160540 (E_RNA) where: Base-Base interactions energy: -1152.576 where: short stacking energy: -478.508 Base-Backbone interact. energy: 0.632 local terms energy: -496.217255 where: bonds (distance) C4'-P energy: -97.044 bonds (distance) P-C4' energy: -90.239 flat angles C4'-P-C4' energy: -112.472 flat angles P-C4'-P energy: -68.276 tors. eta vs tors. theta energy: -128.186 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: 5 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1413.038639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.038639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.038639 (E_RNA) where: Base-Base interactions energy: -972.449 where: short stacking energy: -418.224 Base-Backbone interact. energy: 4.728 local terms energy: -445.318059 where: bonds (distance) C4'-P energy: -77.567 bonds (distance) P-C4' energy: -102.150 flat angles C4'-P-C4' energy: -107.494 flat angles P-C4'-P energy: -52.609 tors. eta vs tors. theta energy: -105.499 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: 8, replica: 10 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1326.592144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.592144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.592144 (E_RNA) where: Base-Base interactions energy: -891.400 where: short stacking energy: -374.795 Base-Backbone interact. energy: 1.079 local terms energy: -436.271245 where: bonds (distance) C4'-P energy: -87.071 bonds (distance) P-C4' energy: -102.230 flat angles C4'-P-C4' energy: -89.386 flat angles P-C4'-P energy: -65.868 tors. eta vs tors. theta energy: -91.717 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: 9, replica: 6 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -1163.614311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.614311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.614311 (E_RNA) where: Base-Base interactions energy: -762.216 where: short stacking energy: -322.393 Base-Backbone interact. energy: -2.562 local terms energy: -398.836218 where: bonds (distance) C4'-P energy: -84.732 bonds (distance) P-C4' energy: -96.530 flat angles C4'-P-C4' energy: -84.943 flat angles P-C4'-P energy: -60.770 tors. eta vs tors. theta energy: -71.860 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: 10, replica: 7 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -1112.196129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.196129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.196129 (E_RNA) where: Base-Base interactions energy: -713.239 where: short stacking energy: -301.763 Base-Backbone interact. energy: -0.638 local terms energy: -398.319233 where: bonds (distance) C4'-P energy: -73.966 bonds (distance) P-C4' energy: -103.320 flat angles C4'-P-C4' energy: -93.389 flat angles P-C4'-P energy: -64.803 tors. eta vs tors. theta energy: -62.841 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: 1, replica: 1 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1889.457936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.457936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.457936 (E_RNA) where: Base-Base interactions energy: -1336.264 where: short stacking energy: -557.020 Base-Backbone interact. energy: -0.079 local terms energy: -553.114980 where: bonds (distance) C4'-P energy: -99.516 bonds (distance) P-C4' energy: -105.794 flat angles C4'-P-C4' energy: -118.490 flat angles P-C4'-P energy: -71.515 tors. eta vs tors. theta energy: -157.801 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: 2, replica: 8 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1880.005027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.005027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.005027 (E_RNA) where: Base-Base interactions energy: -1331.041 where: short stacking energy: -552.649 Base-Backbone interact. energy: -1.560 local terms energy: -547.403915 where: bonds (distance) C4'-P energy: -96.637 bonds (distance) P-C4' energy: -107.739 flat angles C4'-P-C4' energy: -110.822 flat angles P-C4'-P energy: -83.414 tors. eta vs tors. theta energy: -148.792 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: 3 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1866.478640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.478640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.478640 (E_RNA) where: Base-Base interactions energy: -1298.968 where: short stacking energy: -536.364 Base-Backbone interact. energy: 1.030 local terms energy: -568.540622 where: bonds (distance) C4'-P energy: -102.233 bonds (distance) P-C4' energy: -111.293 flat angles C4'-P-C4' energy: -114.168 flat angles P-C4'-P energy: -83.149 tors. eta vs tors. theta energy: -157.698 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: 2 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1827.098446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.098446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.098446 (E_RNA) where: Base-Base interactions energy: -1270.700 where: short stacking energy: -520.913 Base-Backbone interact. energy: -1.443 local terms energy: -554.956327 where: bonds (distance) C4'-P energy: -90.124 bonds (distance) P-C4' energy: -110.849 flat angles C4'-P-C4' energy: -115.168 flat angles P-C4'-P energy: -83.990 tors. eta vs tors. theta energy: -154.825 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: 4 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1745.400766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.400766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.400766 (E_RNA) where: Base-Base interactions energy: -1223.386 where: short stacking energy: -509.704 Base-Backbone interact. energy: -1.429 local terms energy: -520.585866 where: bonds (distance) C4'-P energy: -87.024 bonds (distance) P-C4' energy: -100.293 flat angles C4'-P-C4' energy: -111.212 flat angles P-C4'-P energy: -78.358 tors. eta vs tors. theta energy: -143.699 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: 9 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1638.795106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.795106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.795106 (E_RNA) where: Base-Base interactions energy: -1134.469 where: short stacking energy: -455.869 Base-Backbone interact. energy: 6.868 local terms energy: -511.194404 where: bonds (distance) C4'-P energy: -92.421 bonds (distance) P-C4' energy: -100.111 flat angles C4'-P-C4' energy: -105.442 flat angles P-C4'-P energy: -76.738 tors. eta vs tors. theta energy: -136.482 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: 7, replica: 5 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1437.203010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.203010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.203010 (E_RNA) where: Base-Base interactions energy: -987.416 where: short stacking energy: -407.589 Base-Backbone interact. energy: -0.151 local terms energy: -449.636315 where: bonds (distance) C4'-P energy: -88.784 bonds (distance) P-C4' energy: -102.482 flat angles C4'-P-C4' energy: -99.334 flat angles P-C4'-P energy: -61.599 tors. eta vs tors. theta energy: -97.437 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: 10 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1412.895621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.895621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.895621 (E_RNA) where: Base-Base interactions energy: -957.973 where: short stacking energy: -412.164 Base-Backbone interact. energy: -2.740 local terms energy: -452.182948 where: bonds (distance) C4'-P energy: -99.371 bonds (distance) P-C4' energy: -95.485 flat angles C4'-P-C4' energy: -91.866 flat angles P-C4'-P energy: -64.711 tors. eta vs tors. theta energy: -100.750 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: 9, replica: 6 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1133.144675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.144675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.144675 (E_RNA) where: Base-Base interactions energy: -733.987 where: short stacking energy: -335.220 Base-Backbone interact. energy: -1.491 local terms energy: -397.666933 where: bonds (distance) C4'-P energy: -83.860 bonds (distance) P-C4' energy: -103.935 flat angles C4'-P-C4' energy: -91.999 flat angles P-C4'-P energy: -46.344 tors. eta vs tors. theta energy: -71.530 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: 10, replica: 7 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -1124.115695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.115695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.115695 (E_RNA) where: Base-Base interactions energy: -711.268 where: short stacking energy: -312.251 Base-Backbone interact. energy: 0.066 local terms energy: -412.913682 where: bonds (distance) C4'-P energy: -81.808 bonds (distance) P-C4' energy: -109.102 flat angles C4'-P-C4' energy: -99.148 flat angles P-C4'-P energy: -66.141 tors. eta vs tors. theta energy: -56.715 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: 1, replica: 1 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1893.469826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.469826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.469826 (E_RNA) where: Base-Base interactions energy: -1323.767 where: short stacking energy: -526.130 Base-Backbone interact. energy: -1.636 local terms energy: -568.066950 where: bonds (distance) C4'-P energy: -102.724 bonds (distance) P-C4' energy: -115.746 flat angles C4'-P-C4' energy: -117.530 flat angles P-C4'-P energy: -84.590 tors. eta vs tors. theta energy: -147.477 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: 2, replica: 8 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1876.787054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.787054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.787054 (E_RNA) where: Base-Base interactions energy: -1319.594 where: short stacking energy: -548.021 Base-Backbone interact. energy: 1.524 local terms energy: -558.716580 where: bonds (distance) C4'-P energy: -97.033 bonds (distance) P-C4' energy: -111.690 flat angles C4'-P-C4' energy: -117.624 flat angles P-C4'-P energy: -79.624 tors. eta vs tors. theta energy: -152.746 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: 3 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1874.277218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.277218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.277218 (E_RNA) where: Base-Base interactions energy: -1326.594 where: short stacking energy: -549.090 Base-Backbone interact. energy: -2.997 local terms energy: -544.686159 where: bonds (distance) C4'-P energy: -92.528 bonds (distance) P-C4' energy: -109.583 flat angles C4'-P-C4' energy: -116.404 flat angles P-C4'-P energy: -72.584 tors. eta vs tors. theta energy: -153.586 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: 4, replica: 2 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1808.185307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.185307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.185307 (E_RNA) where: Base-Base interactions energy: -1264.763 where: short stacking energy: -517.628 Base-Backbone interact. energy: 1.621 local terms energy: -545.042912 where: bonds (distance) C4'-P energy: -92.189 bonds (distance) P-C4' energy: -102.944 flat angles C4'-P-C4' energy: -120.444 flat angles P-C4'-P energy: -76.615 tors. eta vs tors. theta energy: -152.851 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: 9 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1679.910441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.910441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.910441 (E_RNA) where: Base-Base interactions energy: -1168.014 where: short stacking energy: -482.437 Base-Backbone interact. energy: 0.787 local terms energy: -512.683619 where: bonds (distance) C4'-P energy: -96.422 bonds (distance) P-C4' energy: -107.072 flat angles C4'-P-C4' energy: -108.164 flat angles P-C4'-P energy: -68.488 tors. eta vs tors. theta energy: -132.538 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: 6, replica: 4 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1677.580410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.580410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.580410 (E_RNA) where: Base-Base interactions energy: -1162.149 where: short stacking energy: -467.818 Base-Backbone interact. energy: -1.653 local terms energy: -513.777538 where: bonds (distance) C4'-P energy: -88.525 bonds (distance) P-C4' energy: -111.071 flat angles C4'-P-C4' energy: -114.054 flat angles P-C4'-P energy: -75.929 tors. eta vs tors. theta energy: -124.199 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: 7, replica: 10 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1407.911164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.911164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.911164 (E_RNA) where: Base-Base interactions energy: -941.135 where: short stacking energy: -404.114 Base-Backbone interact. energy: -0.306 local terms energy: -466.470381 where: bonds (distance) C4'-P energy: -78.893 bonds (distance) P-C4' energy: -109.760 flat angles C4'-P-C4' energy: -108.180 flat angles P-C4'-P energy: -67.001 tors. eta vs tors. theta energy: -102.635 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: 8, replica: 5 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1418.881234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.881234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.881234 (E_RNA) where: Base-Base interactions energy: -957.490 where: short stacking energy: -407.789 Base-Backbone interact. energy: 2.002 local terms energy: -463.393284 where: bonds (distance) C4'-P energy: -94.996 bonds (distance) P-C4' energy: -109.558 flat angles C4'-P-C4' energy: -95.663 flat angles P-C4'-P energy: -64.103 tors. eta vs tors. theta energy: -99.073 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: 9, replica: 7 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1162.240695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.240695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.240695 (E_RNA) where: Base-Base interactions energy: -749.175 where: short stacking energy: -345.146 Base-Backbone interact. energy: -0.952 local terms energy: -412.114564 where: bonds (distance) C4'-P energy: -80.979 bonds (distance) P-C4' energy: -102.156 flat angles C4'-P-C4' energy: -94.854 flat angles P-C4'-P energy: -54.523 tors. eta vs tors. theta energy: -79.602 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: 10, replica: 6 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -1089.851350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.851350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.851350 (E_RNA) where: Base-Base interactions energy: -707.354 where: short stacking energy: -300.146 Base-Backbone interact. energy: 2.609 local terms energy: -385.106412 where: bonds (distance) C4'-P energy: -73.453 bonds (distance) P-C4' energy: -108.527 flat angles C4'-P-C4' energy: -96.250 flat angles P-C4'-P energy: -55.443 tors. eta vs tors. theta energy: -51.433 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: 1, replica: 1 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1903.867277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.867277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.867277 (E_RNA) where: Base-Base interactions energy: -1316.428 where: short stacking energy: -548.739 Base-Backbone interact. energy: -2.779 local terms energy: -584.660093 where: bonds (distance) C4'-P energy: -104.000 bonds (distance) P-C4' energy: -116.009 flat angles C4'-P-C4' energy: -128.265 flat angles P-C4'-P energy: -72.504 tors. eta vs tors. theta energy: -163.883 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: 8 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1897.905844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.905844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.905844 (E_RNA) where: Base-Base interactions energy: -1329.053 where: short stacking energy: -551.399 Base-Backbone interact. energy: 0.423 local terms energy: -569.275580 where: bonds (distance) C4'-P energy: -102.600 bonds (distance) P-C4' energy: -107.022 flat angles C4'-P-C4' energy: -117.171 flat angles P-C4'-P energy: -85.775 tors. eta vs tors. theta energy: -156.708 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: 3, replica: 3 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1874.391273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.391273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.391273 (E_RNA) where: Base-Base interactions energy: -1313.275 where: short stacking energy: -553.694 Base-Backbone interact. energy: -0.817 local terms energy: -560.299566 where: bonds (distance) C4'-P energy: -94.091 bonds (distance) P-C4' energy: -115.157 flat angles C4'-P-C4' energy: -117.761 flat angles P-C4'-P energy: -82.171 tors. eta vs tors. theta energy: -151.119 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: 4, replica: 2 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1817.241397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.241397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.241397 (E_RNA) where: Base-Base interactions energy: -1271.846 where: short stacking energy: -543.745 Base-Backbone interact. energy: 0.079 local terms energy: -545.474337 where: bonds (distance) C4'-P energy: -98.005 bonds (distance) P-C4' energy: -104.098 flat angles C4'-P-C4' energy: -111.032 flat angles P-C4'-P energy: -85.185 tors. eta vs tors. theta energy: -147.155 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: 9 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1703.311053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.311053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.311053 (E_RNA) where: Base-Base interactions energy: -1204.877 where: short stacking energy: -498.808 Base-Backbone interact. energy: 2.443 local terms energy: -500.877113 where: bonds (distance) C4'-P energy: -90.690 bonds (distance) P-C4' energy: -94.716 flat angles C4'-P-C4' energy: -105.182 flat angles P-C4'-P energy: -74.761 tors. eta vs tors. theta energy: -135.529 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: 351 Temperature: 1.150000 Total energy: -1657.008181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.008181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.008181 (E_RNA) where: Base-Base interactions energy: -1151.887 where: short stacking energy: -468.362 Base-Backbone interact. energy: 0.883 local terms energy: -506.003529 where: bonds (distance) C4'-P energy: -96.049 bonds (distance) P-C4' energy: -104.150 flat angles C4'-P-C4' energy: -107.483 flat angles P-C4'-P energy: -66.273 tors. eta vs tors. theta energy: -132.049 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: 10 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1384.916784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.916784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.916784 (E_RNA) where: Base-Base interactions energy: -927.176 where: short stacking energy: -402.340 Base-Backbone interact. energy: 1.818 local terms energy: -459.559647 where: bonds (distance) C4'-P energy: -89.967 bonds (distance) P-C4' energy: -85.842 flat angles C4'-P-C4' energy: -103.826 flat angles P-C4'-P energy: -76.289 tors. eta vs tors. theta energy: -103.636 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: 8, replica: 5 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1391.405194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.405194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.405194 (E_RNA) where: Base-Base interactions energy: -934.951 where: short stacking energy: -396.912 Base-Backbone interact. energy: -2.214 local terms energy: -454.239970 where: bonds (distance) C4'-P energy: -81.007 bonds (distance) P-C4' energy: -107.979 flat angles C4'-P-C4' energy: -96.868 flat angles P-C4'-P energy: -59.082 tors. eta vs tors. theta energy: -109.303 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: 9, replica: 7 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1132.376579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.376579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.376579 (E_RNA) where: Base-Base interactions energy: -710.657 where: short stacking energy: -330.195 Base-Backbone interact. energy: 1.287 local terms energy: -423.006247 where: bonds (distance) C4'-P energy: -83.887 bonds (distance) P-C4' energy: -99.481 flat angles C4'-P-C4' energy: -94.315 flat angles P-C4'-P energy: -70.167 tors. eta vs tors. theta energy: -75.156 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: 6 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -1136.898835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.898835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.898835 (E_RNA) where: Base-Base interactions energy: -754.435 where: short stacking energy: -332.832 Base-Backbone interact. energy: 1.709 local terms energy: -384.173018 where: bonds (distance) C4'-P energy: -76.327 bonds (distance) P-C4' energy: -100.143 flat angles C4'-P-C4' energy: -77.851 flat angles P-C4'-P energy: -65.039 tors. eta vs tors. theta energy: -64.813 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: 8 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1928.393611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.393611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.393611 (E_RNA) where: Base-Base interactions energy: -1361.745 where: short stacking energy: -556.480 Base-Backbone interact. energy: -1.165 local terms energy: -565.483555 where: bonds (distance) C4'-P energy: -100.583 bonds (distance) P-C4' energy: -112.929 flat angles C4'-P-C4' energy: -120.693 flat angles P-C4'-P energy: -77.102 tors. eta vs tors. theta energy: -154.178 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: 2, replica: 1 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1872.516806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.516806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.516806 (E_RNA) where: Base-Base interactions energy: -1311.199 where: short stacking energy: -534.225 Base-Backbone interact. energy: -2.660 local terms energy: -558.657959 where: bonds (distance) C4'-P energy: -101.979 bonds (distance) P-C4' energy: -102.714 flat angles C4'-P-C4' energy: -114.596 flat angles P-C4'-P energy: -83.392 tors. eta vs tors. theta energy: -155.977 Dist. restrs. and SS energy: 0.000 (S_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: 352 Temperature: 1.000000 Total energy: -1869.714251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.714251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.714251 (E_RNA) where: Base-Base interactions energy: -1331.180 where: short stacking energy: -532.861 Base-Backbone interact. energy: 0.721 local terms energy: -539.254813 where: bonds (distance) C4'-P energy: -87.189 bonds (distance) P-C4' energy: -98.737 flat angles C4'-P-C4' energy: -116.617 flat angles P-C4'-P energy: -81.540 tors. eta vs tors. theta energy: -155.172 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: 2 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1792.727119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.727119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.727119 (E_RNA) where: Base-Base interactions energy: -1264.562 where: short stacking energy: -512.437 Base-Backbone interact. energy: 1.004 local terms energy: -529.169009 where: bonds (distance) C4'-P energy: -84.049 bonds (distance) P-C4' energy: -99.086 flat angles C4'-P-C4' energy: -127.792 flat angles P-C4'-P energy: -75.450 tors. eta vs tors. theta energy: -142.793 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: 5, replica: 9 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1685.578323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.578323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.578323 (E_RNA) where: Base-Base interactions energy: -1187.192 where: short stacking energy: -486.766 Base-Backbone interact. energy: 1.726 local terms energy: -500.113199 where: bonds (distance) C4'-P energy: -84.795 bonds (distance) P-C4' energy: -95.614 flat angles C4'-P-C4' energy: -118.062 flat angles P-C4'-P energy: -75.192 tors. eta vs tors. theta energy: -126.450 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: 4 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1698.162392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.162392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.162392 (E_RNA) where: Base-Base interactions energy: -1170.476 where: short stacking energy: -486.437 Base-Backbone interact. energy: 1.482 local terms energy: -529.168294 where: bonds (distance) C4'-P energy: -86.827 bonds (distance) P-C4' energy: -105.322 flat angles C4'-P-C4' energy: -116.456 flat angles P-C4'-P energy: -72.880 tors. eta vs tors. theta energy: -147.683 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: 5 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1400.923699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.923699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.923699 (E_RNA) where: Base-Base interactions energy: -935.754 where: short stacking energy: -399.511 Base-Backbone interact. energy: 4.687 local terms energy: -469.856765 where: bonds (distance) C4'-P energy: -94.589 bonds (distance) P-C4' energy: -96.843 flat angles C4'-P-C4' energy: -107.829 flat angles P-C4'-P energy: -70.119 tors. eta vs tors. theta energy: -100.477 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: 10 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1363.604592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.604592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.604592 (E_RNA) where: Base-Base interactions energy: -911.607 where: short stacking energy: -396.712 Base-Backbone interact. energy: -1.603 local terms energy: -450.394990 where: bonds (distance) C4'-P energy: -80.203 bonds (distance) P-C4' energy: -98.895 flat angles C4'-P-C4' energy: -99.353 flat angles P-C4'-P energy: -74.052 tors. eta vs tors. theta energy: -97.892 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: 9, replica: 6 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1163.065308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.065308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.065308 (E_RNA) where: Base-Base interactions energy: -763.342 where: short stacking energy: -350.818 Base-Backbone interact. energy: -1.614 local terms energy: -398.109837 where: bonds (distance) C4'-P energy: -81.844 bonds (distance) P-C4' energy: -94.034 flat angles C4'-P-C4' energy: -86.958 flat angles P-C4'-P energy: -60.754 tors. eta vs tors. theta energy: -74.520 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: 10, replica: 7 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -1112.009478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.009478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.009478 (E_RNA) where: Base-Base interactions energy: -719.710 where: short stacking energy: -323.945 Base-Backbone interact. energy: 0.175 local terms energy: -392.475190 where: bonds (distance) C4'-P energy: -83.550 bonds (distance) P-C4' energy: -91.420 flat angles C4'-P-C4' energy: -96.749 flat angles P-C4'-P energy: -59.693 tors. eta vs tors. theta energy: -61.064 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: 1, replica: 8 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1907.700771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.700771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.700771 (E_RNA) where: Base-Base interactions energy: -1341.333 where: short stacking energy: -549.602 Base-Backbone interact. energy: -1.628 local terms energy: -564.739520 where: bonds (distance) C4'-P energy: -95.294 bonds (distance) P-C4' energy: -117.793 flat angles C4'-P-C4' energy: -114.012 flat angles P-C4'-P energy: -79.749 tors. eta vs tors. theta energy: -157.891 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: 2, replica: 3 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1902.893410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.893410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.893410 (E_RNA) where: Base-Base interactions energy: -1333.358 where: short stacking energy: -541.535 Base-Backbone interact. energy: -1.435 local terms energy: -568.100167 where: bonds (distance) C4'-P energy: -101.793 bonds (distance) P-C4' energy: -114.215 flat angles C4'-P-C4' energy: -117.583 flat angles P-C4'-P energy: -81.028 tors. eta vs tors. theta energy: -153.481 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: 1 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1844.494401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.494401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.494401 (E_RNA) where: Base-Base interactions energy: -1308.707 where: short stacking energy: -554.292 Base-Backbone interact. energy: -1.303 local terms energy: -534.484433 where: bonds (distance) C4'-P energy: -90.411 bonds (distance) P-C4' energy: -106.536 flat angles C4'-P-C4' energy: -112.811 flat angles P-C4'-P energy: -68.719 tors. eta vs tors. theta energy: -156.007 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: 4, replica: 2 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1786.471264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.471264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.471264 (E_RNA) where: Base-Base interactions energy: -1244.562 where: short stacking energy: -518.495 Base-Backbone interact. energy: 2.286 local terms energy: -544.195404 where: bonds (distance) C4'-P energy: -89.134 bonds (distance) P-C4' energy: -110.812 flat angles C4'-P-C4' energy: -112.343 flat angles P-C4'-P energy: -83.083 tors. eta vs tors. theta energy: -148.822 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: 9 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1666.673654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.673654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.673654 (E_RNA) where: Base-Base interactions energy: -1155.628 where: short stacking energy: -471.284 Base-Backbone interact. energy: -1.479 local terms energy: -509.566552 where: bonds (distance) C4'-P energy: -93.928 bonds (distance) P-C4' energy: -114.694 flat angles C4'-P-C4' energy: -104.523 flat angles P-C4'-P energy: -64.932 tors. eta vs tors. theta energy: -131.490 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: 353 Temperature: 1.150000 Total energy: -1695.871062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.871062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.871062 (E_RNA) where: Base-Base interactions energy: -1183.658 where: short stacking energy: -493.513 Base-Backbone interact. energy: 1.694 local terms energy: -513.907503 where: bonds (distance) C4'-P energy: -93.358 bonds (distance) P-C4' energy: -97.095 flat angles C4'-P-C4' energy: -114.843 flat angles P-C4'-P energy: -75.672 tors. eta vs tors. theta energy: -132.939 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: 5 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1452.150772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.150772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.150772 (E_RNA) where: Base-Base interactions energy: -979.571 where: short stacking energy: -421.083 Base-Backbone interact. energy: -0.457 local terms energy: -472.122813 where: bonds (distance) C4'-P energy: -83.324 bonds (distance) P-C4' energy: -111.081 flat angles C4'-P-C4' energy: -104.793 flat angles P-C4'-P energy: -66.903 tors. eta vs tors. theta energy: -106.022 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: 10 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1320.568863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.568863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.568863 (E_RNA) where: Base-Base interactions energy: -890.624 where: short stacking energy: -374.617 Base-Backbone interact. energy: 3.006 local terms energy: -432.951206 where: bonds (distance) C4'-P energy: -79.371 bonds (distance) P-C4' energy: -107.351 flat angles C4'-P-C4' energy: -96.478 flat angles P-C4'-P energy: -62.583 tors. eta vs tors. theta energy: -87.168 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: 9, replica: 6 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1150.123059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.123059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.123059 (E_RNA) where: Base-Base interactions energy: -753.674 where: short stacking energy: -326.322 Base-Backbone interact. energy: -0.001 local terms energy: -396.447786 where: bonds (distance) C4'-P energy: -82.442 bonds (distance) P-C4' energy: -95.967 flat angles C4'-P-C4' energy: -101.833 flat angles P-C4'-P energy: -56.540 tors. eta vs tors. theta energy: -59.667 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: 10, replica: 7 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -1114.731665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.731665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.731665 (E_RNA) where: Base-Base interactions energy: -702.793 where: short stacking energy: -322.114 Base-Backbone interact. energy: 0.310 local terms energy: -412.248417 where: bonds (distance) C4'-P energy: -80.710 bonds (distance) P-C4' energy: -109.662 flat angles C4'-P-C4' energy: -104.332 flat angles P-C4'-P energy: -54.978 tors. eta vs tors. theta energy: -62.565 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: 3 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1922.437429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.437429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.437429 (E_RNA) where: Base-Base interactions energy: -1354.464 where: short stacking energy: -557.852 Base-Backbone interact. energy: -1.314 local terms energy: -566.659371 where: bonds (distance) C4'-P energy: -94.954 bonds (distance) P-C4' energy: -106.180 flat angles C4'-P-C4' energy: -128.129 flat angles P-C4'-P energy: -74.642 tors. eta vs tors. theta energy: -162.755 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: 8 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1887.523769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.523769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.523769 (E_RNA) where: Base-Base interactions energy: -1333.109 where: short stacking energy: -558.266 Base-Backbone interact. energy: 0.675 local terms energy: -555.089545 where: bonds (distance) C4'-P energy: -86.223 bonds (distance) P-C4' energy: -112.529 flat angles C4'-P-C4' energy: -113.597 flat angles P-C4'-P energy: -80.892 tors. eta vs tors. theta energy: -161.848 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: 3, replica: 1 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1842.048784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.048784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.048784 (E_RNA) where: Base-Base interactions energy: -1284.811 where: short stacking energy: -535.521 Base-Backbone interact. energy: -0.404 local terms energy: -556.833094 where: bonds (distance) C4'-P energy: -94.125 bonds (distance) P-C4' energy: -106.948 flat angles C4'-P-C4' energy: -116.256 flat angles P-C4'-P energy: -84.602 tors. eta vs tors. theta energy: -154.902 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: 2 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1785.364713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.364713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.364713 (E_RNA) where: Base-Base interactions energy: -1255.955 where: short stacking energy: -531.356 Base-Backbone interact. energy: 2.170 local terms energy: -531.579732 where: bonds (distance) C4'-P energy: -91.251 bonds (distance) P-C4' energy: -102.361 flat angles C4'-P-C4' energy: -109.964 flat angles P-C4'-P energy: -78.834 tors. eta vs tors. theta energy: -149.170 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: 4 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1679.130296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.130296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.130296 (E_RNA) where: Base-Base interactions energy: -1172.855 where: short stacking energy: -465.314 Base-Backbone interact. energy: -0.424 local terms energy: -505.850835 where: bonds (distance) C4'-P energy: -88.712 bonds (distance) P-C4' energy: -104.117 flat angles C4'-P-C4' energy: -114.682 flat angles P-C4'-P energy: -76.624 tors. eta vs tors. theta energy: -121.716 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: 6, replica: 9 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1654.386977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.386977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.386977 (E_RNA) where: Base-Base interactions energy: -1177.237 where: short stacking energy: -472.867 Base-Backbone interact. energy: 3.995 local terms energy: -481.145589 where: bonds (distance) C4'-P energy: -87.859 bonds (distance) P-C4' energy: -92.477 flat angles C4'-P-C4' energy: -111.506 flat angles P-C4'-P energy: -64.631 tors. eta vs tors. theta energy: -124.672 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: 7, replica: 5 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1421.655406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.655406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.655406 (E_RNA) where: Base-Base interactions energy: -945.887 where: short stacking energy: -403.096 Base-Backbone interact. energy: 8.900 local terms energy: -484.668020 where: bonds (distance) C4'-P energy: -94.804 bonds (distance) P-C4' energy: -103.832 flat angles C4'-P-C4' energy: -106.565 flat angles P-C4'-P energy: -76.569 tors. eta vs tors. theta energy: -102.899 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: 8, replica: 10 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1357.387969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.387969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.387969 (E_RNA) where: Base-Base interactions energy: -920.929 where: short stacking energy: -406.371 Base-Backbone interact. energy: 0.842 local terms energy: -437.300954 where: bonds (distance) C4'-P energy: -82.620 bonds (distance) P-C4' energy: -105.173 flat angles C4'-P-C4' energy: -90.116 flat angles P-C4'-P energy: -63.271 tors. eta vs tors. theta energy: -96.120 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: 9, replica: 7 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1096.241590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.241590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.241590 (E_RNA) where: Base-Base interactions energy: -719.718 where: short stacking energy: -320.852 Base-Backbone interact. energy: 3.680 local terms energy: -380.203562 where: bonds (distance) C4'-P energy: -67.784 bonds (distance) P-C4' energy: -96.395 flat angles C4'-P-C4' energy: -108.290 flat angles P-C4'-P energy: -55.377 tors. eta vs tors. theta energy: -52.358 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: 6 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -1119.932934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.932934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.932934 (E_RNA) where: Base-Base interactions energy: -714.681 where: short stacking energy: -323.850 Base-Backbone interact. energy: -0.324 local terms energy: -404.928554 where: bonds (distance) C4'-P energy: -90.298 bonds (distance) P-C4' energy: -112.762 flat angles C4'-P-C4' energy: -92.657 flat angles P-C4'-P energy: -51.841 tors. eta vs tors. theta energy: -57.371 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: 1, replica: 3 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1921.613409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.613409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.613409 (E_RNA) where: Base-Base interactions energy: -1349.239 where: short stacking energy: -550.703 Base-Backbone interact. energy: -3.742 local terms energy: -568.632169 where: bonds (distance) C4'-P energy: -95.508 bonds (distance) P-C4' energy: -114.191 flat angles C4'-P-C4' energy: -120.653 flat angles P-C4'-P energy: -81.985 tors. eta vs tors. theta energy: -156.294 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: 8 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1910.278509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.278509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.278509 (E_RNA) where: Base-Base interactions energy: -1333.034 where: short stacking energy: -559.096 Base-Backbone interact. energy: -1.031 local terms energy: -576.214296 where: bonds (distance) C4'-P energy: -100.171 bonds (distance) P-C4' energy: -115.862 flat angles C4'-P-C4' energy: -111.670 flat angles P-C4'-P energy: -87.745 tors. eta vs tors. theta energy: -160.767 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: 3, replica: 1 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1818.549654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.549654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.549654 (E_RNA) where: Base-Base interactions energy: -1290.077 where: short stacking energy: -511.988 Base-Backbone interact. energy: 1.472 local terms energy: -529.944891 where: bonds (distance) C4'-P energy: -85.806 bonds (distance) P-C4' energy: -109.728 flat angles C4'-P-C4' energy: -112.257 flat angles P-C4'-P energy: -76.684 tors. eta vs tors. theta energy: -145.469 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: 2 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1776.840300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.840300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.840300 (E_RNA) where: Base-Base interactions energy: -1239.158 where: short stacking energy: -520.919 Base-Backbone interact. energy: 0.885 local terms energy: -538.567260 where: bonds (distance) C4'-P energy: -93.655 bonds (distance) P-C4' energy: -107.352 flat angles C4'-P-C4' energy: -111.642 flat angles P-C4'-P energy: -80.336 tors. eta vs tors. theta energy: -145.583 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: 4 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1711.000310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.000310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.000310 (E_RNA) where: Base-Base interactions energy: -1197.697 where: short stacking energy: -511.379 Base-Backbone interact. energy: -0.575 local terms energy: -512.727926 where: bonds (distance) C4'-P energy: -87.493 bonds (distance) P-C4' energy: -101.093 flat angles C4'-P-C4' energy: -109.488 flat angles P-C4'-P energy: -76.570 tors. eta vs tors. theta energy: -138.085 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: 9 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1613.872136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.872136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.872136 (E_RNA) where: Base-Base interactions energy: -1120.406 where: short stacking energy: -462.297 Base-Backbone interact. energy: -1.418 local terms energy: -492.048625 where: bonds (distance) C4'-P energy: -83.787 bonds (distance) P-C4' energy: -101.295 flat angles C4'-P-C4' energy: -105.526 flat angles P-C4'-P energy: -78.538 tors. eta vs tors. theta energy: -122.903 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: 7, replica: 5 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1422.151104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.151104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.151104 (E_RNA) where: Base-Base interactions energy: -969.432 where: short stacking energy: -412.810 Base-Backbone interact. energy: -1.059 local terms energy: -451.660323 where: bonds (distance) C4'-P energy: -86.931 bonds (distance) P-C4' energy: -107.000 flat angles C4'-P-C4' energy: -97.214 flat angles P-C4'-P energy: -60.979 tors. eta vs tors. theta energy: -99.537 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: 8, replica: 10 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1370.408922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.408922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.408922 (E_RNA) where: Base-Base interactions energy: -926.439 where: short stacking energy: -402.748 Base-Backbone interact. energy: 1.745 local terms energy: -445.715208 where: bonds (distance) C4'-P energy: -71.827 bonds (distance) P-C4' energy: -108.326 flat angles C4'-P-C4' energy: -99.765 flat angles P-C4'-P energy: -62.741 tors. eta vs tors. theta energy: -103.057 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: 9, replica: 7 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1149.441958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.441958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.441958 (E_RNA) where: Base-Base interactions energy: -731.643 where: short stacking energy: -325.488 Base-Backbone interact. energy: -1.558 local terms energy: -416.241183 where: bonds (distance) C4'-P energy: -87.593 bonds (distance) P-C4' energy: -100.281 flat angles C4'-P-C4' energy: -97.079 flat angles P-C4'-P energy: -57.219 tors. eta vs tors. theta energy: -74.068 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: 6 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -1090.162707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.162707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.162707 (E_RNA) where: Base-Base interactions energy: -692.313 where: short stacking energy: -295.983 Base-Backbone interact. energy: -1.747 local terms energy: -396.103399 where: bonds (distance) C4'-P energy: -78.053 bonds (distance) P-C4' energy: -107.695 flat angles C4'-P-C4' energy: -92.726 flat angles P-C4'-P energy: -64.041 tors. eta vs tors. theta energy: -53.589 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: 8 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1926.090327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.090327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.090327 (E_RNA) where: Base-Base interactions energy: -1349.099 where: short stacking energy: -559.311 Base-Backbone interact. energy: 1.485 local terms energy: -578.476263 where: bonds (distance) C4'-P energy: -99.187 bonds (distance) P-C4' energy: -115.691 flat angles C4'-P-C4' energy: -121.630 flat angles P-C4'-P energy: -83.806 tors. eta vs tors. theta energy: -158.162 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: 2, replica: 3 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1888.475097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.475097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.475097 (E_RNA) where: Base-Base interactions energy: -1343.338 where: short stacking energy: -551.581 Base-Backbone interact. energy: -1.267 local terms energy: -543.870914 where: bonds (distance) C4'-P energy: -95.684 bonds (distance) P-C4' energy: -103.941 flat angles C4'-P-C4' energy: -116.749 flat angles P-C4'-P energy: -74.029 tors. eta vs tors. theta energy: -153.468 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: 3, replica: 1 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1857.839680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.839680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.839680 (E_RNA) where: Base-Base interactions energy: -1284.546 where: short stacking energy: -535.054 Base-Backbone interact. energy: -1.077 local terms energy: -572.217533 where: bonds (distance) C4'-P energy: -99.624 bonds (distance) P-C4' energy: -113.938 flat angles C4'-P-C4' energy: -121.957 flat angles P-C4'-P energy: -85.362 tors. eta vs tors. theta energy: -151.336 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: 4, replica: 2 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1785.510511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.510511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.510511 (E_RNA) where: Base-Base interactions energy: -1252.100 where: short stacking energy: -513.242 Base-Backbone interact. energy: -3.085 local terms energy: -530.326027 where: bonds (distance) C4'-P energy: -87.087 bonds (distance) P-C4' energy: -112.796 flat angles C4'-P-C4' energy: -112.906 flat angles P-C4'-P energy: -76.097 tors. eta vs tors. theta energy: -141.440 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: 5, replica: 4 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1698.143627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.143627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.143627 (E_RNA) where: Base-Base interactions energy: -1186.693 where: short stacking energy: -507.323 Base-Backbone interact. energy: -1.029 local terms energy: -510.421671 where: bonds (distance) C4'-P energy: -94.703 bonds (distance) P-C4' energy: -99.497 flat angles C4'-P-C4' energy: -110.353 flat angles P-C4'-P energy: -74.172 tors. eta vs tors. theta energy: -131.697 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: 6, replica: 9 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1613.291222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.291222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.291222 (E_RNA) where: Base-Base interactions energy: -1108.754 where: short stacking energy: -460.206 Base-Backbone interact. energy: -3.038 local terms energy: -501.499796 where: bonds (distance) C4'-P energy: -99.695 bonds (distance) P-C4' energy: -105.551 flat angles C4'-P-C4' energy: -111.907 flat angles P-C4'-P energy: -59.006 tors. eta vs tors. theta energy: -125.340 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: 5 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1393.722516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.722516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.722516 (E_RNA) where: Base-Base interactions energy: -945.160 where: short stacking energy: -405.986 Base-Backbone interact. energy: -2.735 local terms energy: -445.827062 where: bonds (distance) C4'-P energy: -85.861 bonds (distance) P-C4' energy: -94.909 flat angles C4'-P-C4' energy: -109.492 flat angles P-C4'-P energy: -65.512 tors. eta vs tors. theta energy: -90.053 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: 8, replica: 10 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1341.761032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.761032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.761032 (E_RNA) where: Base-Base interactions energy: -902.386 where: short stacking energy: -379.041 Base-Backbone interact. energy: 1.233 local terms energy: -440.607963 where: bonds (distance) C4'-P energy: -76.819 bonds (distance) P-C4' energy: -100.666 flat angles C4'-P-C4' energy: -109.510 flat angles P-C4'-P energy: -67.458 tors. eta vs tors. theta energy: -86.155 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: 356 Temperature: 1.300000 Total energy: -1166.634452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.634452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.634452 (E_RNA) where: Base-Base interactions energy: -770.157 where: short stacking energy: -333.102 Base-Backbone interact. energy: -0.508 local terms energy: -395.969917 where: bonds (distance) C4'-P energy: -86.408 bonds (distance) P-C4' energy: -104.948 flat angles C4'-P-C4' energy: -82.301 flat angles P-C4'-P energy: -61.462 tors. eta vs tors. theta energy: -60.850 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: 7 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -1123.495073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.495073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.495073 (E_RNA) where: Base-Base interactions energy: -719.340 where: short stacking energy: -326.903 Base-Backbone interact. energy: -1.503 local terms energy: -402.652358 where: bonds (distance) C4'-P energy: -83.792 bonds (distance) P-C4' energy: -101.008 flat angles C4'-P-C4' energy: -87.873 flat angles P-C4'-P energy: -60.286 tors. eta vs tors. theta energy: -69.694 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: 1, replica: 8 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1930.022956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.022956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.022956 (E_RNA) where: Base-Base interactions energy: -1358.554 where: short stacking energy: -562.954 Base-Backbone interact. energy: -0.422 local terms energy: -571.046577 where: bonds (distance) C4'-P energy: -92.030 bonds (distance) P-C4' energy: -112.650 flat angles C4'-P-C4' energy: -126.236 flat angles P-C4'-P energy: -82.585 tors. eta vs tors. theta energy: -157.545 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: 3 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1878.101286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.101286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.101286 (E_RNA) where: Base-Base interactions energy: -1333.101 where: short stacking energy: -546.379 Base-Backbone interact. energy: 4.928 local terms energy: -549.928491 where: bonds (distance) C4'-P energy: -104.517 bonds (distance) P-C4' energy: -105.373 flat angles C4'-P-C4' energy: -113.730 flat angles P-C4'-P energy: -73.597 tors. eta vs tors. theta energy: -152.712 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: 3, replica: 1 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1836.619025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.619025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.619025 (E_RNA) where: Base-Base interactions energy: -1303.278 where: short stacking energy: -529.832 Base-Backbone interact. energy: -1.799 local terms energy: -531.541267 where: bonds (distance) C4'-P energy: -87.853 bonds (distance) P-C4' energy: -104.460 flat angles C4'-P-C4' energy: -113.792 flat angles P-C4'-P energy: -73.996 tors. eta vs tors. theta energy: -151.440 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: 2 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1782.041421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.041421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.041421 (E_RNA) where: Base-Base interactions energy: -1251.061 where: short stacking energy: -514.024 Base-Backbone interact. energy: 1.303 local terms energy: -532.283253 where: bonds (distance) C4'-P energy: -87.791 bonds (distance) P-C4' energy: -105.200 flat angles C4'-P-C4' energy: -101.583 flat angles P-C4'-P energy: -80.229 tors. eta vs tors. theta energy: -157.480 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: 4 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1718.488501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.488501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.488501 (E_RNA) where: Base-Base interactions energy: -1216.797 where: short stacking energy: -501.408 Base-Backbone interact. energy: 3.293 local terms energy: -504.984664 where: bonds (distance) C4'-P energy: -90.530 bonds (distance) P-C4' energy: -93.029 flat angles C4'-P-C4' energy: -107.189 flat angles P-C4'-P energy: -73.219 tors. eta vs tors. theta energy: -141.018 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: 9 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1650.804259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.804259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.804259 (E_RNA) where: Base-Base interactions energy: -1142.707 where: short stacking energy: -469.671 Base-Backbone interact. energy: 2.958 local terms energy: -511.054701 where: bonds (distance) C4'-P energy: -84.306 bonds (distance) P-C4' energy: -113.648 flat angles C4'-P-C4' energy: -107.560 flat angles P-C4'-P energy: -83.832 tors. eta vs tors. theta energy: -121.708 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: 7, replica: 5 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1389.929430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.929430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.929430 (E_RNA) where: Base-Base interactions energy: -947.948 where: short stacking energy: -417.308 Base-Backbone interact. energy: -2.018 local terms energy: -439.963945 where: bonds (distance) C4'-P energy: -88.173 bonds (distance) P-C4' energy: -99.647 flat angles C4'-P-C4' energy: -98.252 flat angles P-C4'-P energy: -65.933 tors. eta vs tors. theta energy: -87.958 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: 8, replica: 10 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1343.512591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.512591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.512591 (E_RNA) where: Base-Base interactions energy: -905.757 where: short stacking energy: -386.162 Base-Backbone interact. energy: 3.858 local terms energy: -441.613706 where: bonds (distance) C4'-P energy: -76.706 bonds (distance) P-C4' energy: -105.719 flat angles C4'-P-C4' energy: -97.384 flat angles P-C4'-P energy: -73.988 tors. eta vs tors. theta energy: -87.817 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: 9, replica: 6 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1166.647376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.647376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.647376 (E_RNA) where: Base-Base interactions energy: -751.338 where: short stacking energy: -325.930 Base-Backbone interact. energy: -2.697 local terms energy: -412.612786 where: bonds (distance) C4'-P energy: -84.773 bonds (distance) P-C4' energy: -110.861 flat angles C4'-P-C4' energy: -89.427 flat angles P-C4'-P energy: -63.923 tors. eta vs tors. theta energy: -63.630 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: 10, replica: 7 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -1144.622901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.622901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.622901 (E_RNA) where: Base-Base interactions energy: -767.533 where: short stacking energy: -328.133 Base-Backbone interact. energy: -2.822 local terms energy: -374.267334 where: bonds (distance) C4'-P energy: -67.517 bonds (distance) P-C4' energy: -97.748 flat angles C4'-P-C4' energy: -83.507 flat angles P-C4'-P energy: -62.054 tors. eta vs tors. theta energy: -63.442 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: 1, replica: 8 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1930.865408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.865408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.865408 (E_RNA) where: Base-Base interactions energy: -1369.893 where: short stacking energy: -555.153 Base-Backbone interact. energy: -2.527 local terms energy: -558.445487 where: bonds (distance) C4'-P energy: -89.412 bonds (distance) P-C4' energy: -114.294 flat angles C4'-P-C4' energy: -121.730 flat angles P-C4'-P energy: -78.519 tors. eta vs tors. theta energy: -154.490 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: 2, replica: 3 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1885.298505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.298505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.298505 (E_RNA) where: Base-Base interactions energy: -1334.602 where: short stacking energy: -555.746 Base-Backbone interact. energy: -1.998 local terms energy: -548.697988 where: bonds (distance) C4'-P energy: -97.622 bonds (distance) P-C4' energy: -102.578 flat angles C4'-P-C4' energy: -113.162 flat angles P-C4'-P energy: -80.692 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: 3, replica: 2 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1834.178034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.178034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.178034 (E_RNA) where: Base-Base interactions energy: -1277.970 where: short stacking energy: -540.952 Base-Backbone interact. energy: -2.975 local terms energy: -553.232826 where: bonds (distance) C4'-P energy: -96.007 bonds (distance) P-C4' energy: -111.666 flat angles C4'-P-C4' energy: -114.419 flat angles P-C4'-P energy: -79.843 tors. eta vs tors. theta energy: -151.299 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: 4, replica: 1 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1764.500524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.500524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.500524 (E_RNA) where: Base-Base interactions energy: -1243.518 where: short stacking energy: -493.417 Base-Backbone interact. energy: -1.867 local terms energy: -519.115428 where: bonds (distance) C4'-P energy: -92.048 bonds (distance) P-C4' energy: -108.017 flat angles C4'-P-C4' energy: -106.466 flat angles P-C4'-P energy: -72.402 tors. eta vs tors. theta energy: -140.183 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: 4 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1713.724517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.724517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.724517 (E_RNA) where: Base-Base interactions energy: -1190.292 where: short stacking energy: -492.707 Base-Backbone interact. energy: 0.162 local terms energy: -523.594425 where: bonds (distance) C4'-P energy: -99.656 bonds (distance) P-C4' energy: -113.441 flat angles C4'-P-C4' energy: -103.875 flat angles P-C4'-P energy: -75.374 tors. eta vs tors. theta energy: -131.248 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: 6, replica: 9 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1601.647510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.647510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.647510 (E_RNA) where: Base-Base interactions energy: -1098.401 where: short stacking energy: -449.391 Base-Backbone interact. energy: -0.788 local terms energy: -502.457625 where: bonds (distance) C4'-P energy: -108.923 bonds (distance) P-C4' energy: -99.107 flat angles C4'-P-C4' energy: -111.700 flat angles P-C4'-P energy: -64.875 tors. eta vs tors. theta energy: -117.853 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: 7, replica: 10 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1370.125401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.125401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.125401 (E_RNA) where: Base-Base interactions energy: -908.591 where: short stacking energy: -398.830 Base-Backbone interact. energy: -2.073 local terms energy: -459.461204 where: bonds (distance) C4'-P energy: -93.473 bonds (distance) P-C4' energy: -97.938 flat angles C4'-P-C4' energy: -106.858 flat angles P-C4'-P energy: -61.160 tors. eta vs tors. theta energy: -100.031 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: 5 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1414.582769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.582769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.582769 (E_RNA) where: Base-Base interactions energy: -975.796 where: short stacking energy: -426.076 Base-Backbone interact. energy: 0.112 local terms energy: -438.899726 where: bonds (distance) C4'-P energy: -74.875 bonds (distance) P-C4' energy: -98.018 flat angles C4'-P-C4' energy: -104.717 flat angles P-C4'-P energy: -55.573 tors. eta vs tors. theta energy: -105.716 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: 9, replica: 7 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1167.221949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.221949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.221949 (E_RNA) where: Base-Base interactions energy: -771.191 where: short stacking energy: -341.541 Base-Backbone interact. energy: 0.809 local terms energy: -396.840256 where: bonds (distance) C4'-P energy: -67.875 bonds (distance) P-C4' energy: -105.026 flat angles C4'-P-C4' energy: -94.663 flat angles P-C4'-P energy: -60.222 tors. eta vs tors. theta energy: -69.055 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: 6 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -1115.011196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.011196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.011196 (E_RNA) where: Base-Base interactions energy: -716.261 where: short stacking energy: -324.621 Base-Backbone interact. energy: 1.244 local terms energy: -399.993929 where: bonds (distance) C4'-P energy: -76.764 bonds (distance) P-C4' energy: -97.798 flat angles C4'-P-C4' energy: -95.838 flat angles P-C4'-P energy: -73.277 tors. eta vs tors. theta energy: -56.318 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: 8 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1920.505121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.505121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.505121 (E_RNA) where: Base-Base interactions energy: -1334.898 where: short stacking energy: -553.484 Base-Backbone interact. energy: -0.025 local terms energy: -585.582328 where: bonds (distance) C4'-P energy: -111.114 bonds (distance) P-C4' energy: -121.240 flat angles C4'-P-C4' energy: -116.174 flat angles P-C4'-P energy: -83.044 tors. eta vs tors. theta energy: -154.010 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: 2, replica: 3 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1907.444224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.444224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.444224 (E_RNA) where: Base-Base interactions energy: -1346.667 where: short stacking energy: -560.484 Base-Backbone interact. energy: -1.294 local terms energy: -559.482826 where: bonds (distance) C4'-P energy: -101.829 bonds (distance) P-C4' energy: -118.871 flat angles C4'-P-C4' energy: -111.728 flat angles P-C4'-P energy: -67.879 tors. eta vs tors. theta energy: -159.177 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: 3, replica: 2 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1832.775606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.775606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.775606 (E_RNA) where: Base-Base interactions energy: -1277.597 where: short stacking energy: -547.145 Base-Backbone interact. energy: -0.182 local terms energy: -554.996374 where: bonds (distance) C4'-P energy: -93.090 bonds (distance) P-C4' energy: -110.586 flat angles C4'-P-C4' energy: -115.750 flat angles P-C4'-P energy: -84.825 tors. eta vs tors. theta energy: -150.746 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: 4, replica: 1 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1815.923991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.923991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.923991 (E_RNA) where: Base-Base interactions energy: -1269.276 where: short stacking energy: -536.755 Base-Backbone interact. energy: 0.476 local terms energy: -547.124361 where: bonds (distance) C4'-P energy: -92.456 bonds (distance) P-C4' energy: -109.680 flat angles C4'-P-C4' energy: -122.112 flat angles P-C4'-P energy: -74.367 tors. eta vs tors. theta energy: -148.510 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: 5, replica: 4 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1705.145956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.145956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.145956 (E_RNA) where: Base-Base interactions energy: -1191.410 where: short stacking energy: -490.476 Base-Backbone interact. energy: -0.294 local terms energy: -513.441857 where: bonds (distance) C4'-P energy: -87.722 bonds (distance) P-C4' energy: -101.272 flat angles C4'-P-C4' energy: -105.300 flat angles P-C4'-P energy: -81.292 tors. eta vs tors. theta energy: -137.856 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: 6, replica: 9 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1623.309425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.309425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.309425 (E_RNA) where: Base-Base interactions energy: -1122.091 where: short stacking energy: -468.905 Base-Backbone interact. energy: -0.946 local terms energy: -500.272252 where: bonds (distance) C4'-P energy: -96.741 bonds (distance) P-C4' energy: -109.226 flat angles C4'-P-C4' energy: -108.620 flat angles P-C4'-P energy: -66.763 tors. eta vs tors. theta energy: -118.922 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: 7, replica: 10 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1405.478434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.478434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.478434 (E_RNA) where: Base-Base interactions energy: -955.796 where: short stacking energy: -413.761 Base-Backbone interact. energy: -0.543 local terms energy: -449.138900 where: bonds (distance) C4'-P energy: -90.163 bonds (distance) P-C4' energy: -98.028 flat angles C4'-P-C4' energy: -107.368 flat angles P-C4'-P energy: -56.355 tors. eta vs tors. theta energy: -97.225 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: 8, replica: 5 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1393.443146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.443146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.443146 (E_RNA) where: Base-Base interactions energy: -942.643 where: short stacking energy: -414.012 Base-Backbone interact. energy: 2.043 local terms energy: -452.843341 where: bonds (distance) C4'-P energy: -83.011 bonds (distance) P-C4' energy: -111.099 flat angles C4'-P-C4' energy: -90.748 flat angles P-C4'-P energy: -57.661 tors. eta vs tors. theta energy: -110.325 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: 9, replica: 7 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1185.419911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.419911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.419911 (E_RNA) where: Base-Base interactions energy: -755.416 where: short stacking energy: -327.447 Base-Backbone interact. energy: 0.680 local terms energy: -430.684674 where: bonds (distance) C4'-P energy: -95.754 bonds (distance) P-C4' energy: -108.555 flat angles C4'-P-C4' energy: -102.148 flat angles P-C4'-P energy: -58.242 tors. eta vs tors. theta energy: -65.986 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: 10, replica: 6 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -1093.598098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.598098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.598098 (E_RNA) where: Base-Base interactions energy: -703.618 where: short stacking energy: -321.966 Base-Backbone interact. energy: -0.744 local terms energy: -389.236060 where: bonds (distance) C4'-P energy: -83.291 bonds (distance) P-C4' energy: -97.687 flat angles C4'-P-C4' energy: -86.327 flat angles P-C4'-P energy: -66.551 tors. eta vs tors. theta energy: -55.380 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: 1, replica: 8 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1938.590010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.590010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.590010 (E_RNA) where: Base-Base interactions energy: -1356.307 where: short stacking energy: -555.152 Base-Backbone interact. energy: -0.503 local terms energy: -581.779536 where: bonds (distance) C4'-P energy: -100.732 bonds (distance) P-C4' energy: -120.433 flat angles C4'-P-C4' energy: -120.579 flat angles P-C4'-P energy: -79.335 tors. eta vs tors. theta energy: -160.701 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: 2, replica: 3 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1911.005589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.005589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.005589 (E_RNA) where: Base-Base interactions energy: -1337.212 where: short stacking energy: -560.755 Base-Backbone interact. energy: -2.803 local terms energy: -570.990003 where: bonds (distance) C4'-P energy: -100.681 bonds (distance) P-C4' energy: -115.288 flat angles C4'-P-C4' energy: -111.139 flat angles P-C4'-P energy: -86.264 tors. eta vs tors. theta energy: -157.619 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: 3, replica: 2 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1844.451613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.451613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.451613 (E_RNA) where: Base-Base interactions energy: -1298.907 where: short stacking energy: -542.086 Base-Backbone interact. energy: -2.783 local terms energy: -542.760977 where: bonds (distance) C4'-P energy: -95.362 bonds (distance) P-C4' energy: -107.520 flat angles C4'-P-C4' energy: -111.977 flat angles P-C4'-P energy: -76.226 tors. eta vs tors. theta energy: -151.676 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: 4, replica: 1 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1812.881933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.881933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.881933 (E_RNA) where: Base-Base interactions energy: -1248.748 where: short stacking energy: -510.091 Base-Backbone interact. energy: 4.170 local terms energy: -568.304364 where: bonds (distance) C4'-P energy: -107.881 bonds (distance) P-C4' energy: -104.161 flat angles C4'-P-C4' energy: -127.474 flat angles P-C4'-P energy: -74.886 tors. eta vs tors. theta energy: -153.901 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: 5, replica: 4 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1732.764910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.764910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.764910 (E_RNA) where: Base-Base interactions energy: -1195.177 where: short stacking energy: -503.185 Base-Backbone interact. energy: 2.255 local terms energy: -539.842637 where: bonds (distance) C4'-P energy: -89.812 bonds (distance) P-C4' energy: -105.762 flat angles C4'-P-C4' energy: -113.918 flat angles P-C4'-P energy: -86.000 tors. eta vs tors. theta energy: -144.350 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: 6, replica: 9 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1628.326541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.326541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.326541 (E_RNA) where: Base-Base interactions energy: -1117.310 where: short stacking energy: -467.343 Base-Backbone interact. energy: 2.890 local terms energy: -513.906245 where: bonds (distance) C4'-P energy: -90.239 bonds (distance) P-C4' energy: -111.510 flat angles C4'-P-C4' energy: -99.433 flat angles P-C4'-P energy: -73.679 tors. eta vs tors. theta energy: -139.047 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: 7, replica: 10 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1390.024190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.024190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.024190 (E_RNA) where: Base-Base interactions energy: -953.103 where: short stacking energy: -429.710 Base-Backbone interact. energy: -1.813 local terms energy: -435.108037 where: bonds (distance) C4'-P energy: -72.179 bonds (distance) P-C4' energy: -96.248 flat angles C4'-P-C4' energy: -101.716 flat angles P-C4'-P energy: -58.264 tors. eta vs tors. theta energy: -106.702 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: 8, replica: 5 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1397.770904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.770904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.770904 (E_RNA) where: Base-Base interactions energy: -965.114 where: short stacking energy: -394.474 Base-Backbone interact. energy: 0.186 local terms energy: -432.842194 where: bonds (distance) C4'-P energy: -74.643 bonds (distance) P-C4' energy: -103.006 flat angles C4'-P-C4' energy: -99.314 flat angles P-C4'-P energy: -56.636 tors. eta vs tors. theta energy: -99.244 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: 9, replica: 7 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1193.479876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.479876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.479876 (E_RNA) where: Base-Base interactions energy: -779.171 where: short stacking energy: -318.145 Base-Backbone interact. energy: 0.630 local terms energy: -414.939325 where: bonds (distance) C4'-P energy: -84.731 bonds (distance) P-C4' energy: -109.933 flat angles C4'-P-C4' energy: -88.055 flat angles P-C4'-P energy: -56.954 tors. eta vs tors. theta energy: -75.267 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: 6 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -1151.339625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.339625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.339625 (E_RNA) where: Base-Base interactions energy: -757.156 where: short stacking energy: -344.489 Base-Backbone interact. energy: 2.844 local terms energy: -397.028164 where: bonds (distance) C4'-P energy: -80.314 bonds (distance) P-C4' energy: -105.407 flat angles C4'-P-C4' energy: -82.171 flat angles P-C4'-P energy: -61.113 tors. eta vs tors. theta energy: -68.024 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: 1, replica: 8 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1915.518814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.518814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.518814 (E_RNA) where: Base-Base interactions energy: -1344.082 where: short stacking energy: -563.718 Base-Backbone interact. energy: -4.288 local terms energy: -567.149020 where: bonds (distance) C4'-P energy: -102.891 bonds (distance) P-C4' energy: -105.503 flat angles C4'-P-C4' energy: -115.243 flat angles P-C4'-P energy: -83.495 tors. eta vs tors. theta energy: -160.018 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: 2, replica: 2 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1872.100263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.100263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.100263 (E_RNA) where: Base-Base interactions energy: -1310.234 where: short stacking energy: -540.856 Base-Backbone interact. energy: 7.250 local terms energy: -569.116124 where: bonds (distance) C4'-P energy: -100.793 bonds (distance) P-C4' energy: -118.068 flat angles C4'-P-C4' energy: -116.484 flat angles P-C4'-P energy: -82.921 tors. eta vs tors. theta energy: -150.851 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: 3 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1856.707112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.707112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.707112 (E_RNA) where: Base-Base interactions energy: -1322.282 where: short stacking energy: -541.087 Base-Backbone interact. energy: -0.260 local terms energy: -534.165479 where: bonds (distance) C4'-P energy: -91.996 bonds (distance) P-C4' energy: -109.433 flat angles C4'-P-C4' energy: -106.637 flat angles P-C4'-P energy: -77.222 tors. eta vs tors. theta energy: -148.877 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: 1 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1800.820092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.820092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.820092 (E_RNA) where: Base-Base interactions energy: -1274.329 where: short stacking energy: -528.095 Base-Backbone interact. energy: -0.265 local terms energy: -526.226031 where: bonds (distance) C4'-P energy: -81.310 bonds (distance) P-C4' energy: -103.696 flat angles C4'-P-C4' energy: -113.526 flat angles P-C4'-P energy: -77.698 tors. eta vs tors. theta energy: -149.996 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: 5, replica: 4 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1710.355901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.355901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.355901 (E_RNA) where: Base-Base interactions energy: -1199.889 where: short stacking energy: -479.703 Base-Backbone interact. energy: 2.833 local terms energy: -513.300443 where: bonds (distance) C4'-P energy: -88.083 bonds (distance) P-C4' energy: -114.506 flat angles C4'-P-C4' energy: -110.553 flat angles P-C4'-P energy: -72.185 tors. eta vs tors. theta energy: -127.974 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: 9 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1633.979278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.979278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.979278 (E_RNA) where: Base-Base interactions energy: -1130.603 where: short stacking energy: -470.823 Base-Backbone interact. energy: -0.041 local terms energy: -503.336066 where: bonds (distance) C4'-P energy: -91.190 bonds (distance) P-C4' energy: -95.861 flat angles C4'-P-C4' energy: -111.845 flat angles P-C4'-P energy: -80.704 tors. eta vs tors. theta energy: -123.737 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: 7, replica: 10 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1399.450259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.450259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.450259 (E_RNA) where: Base-Base interactions energy: -946.316 where: short stacking energy: -386.027 Base-Backbone interact. energy: -0.339 local terms energy: -452.795559 where: bonds (distance) C4'-P energy: -79.364 bonds (distance) P-C4' energy: -105.471 flat angles C4'-P-C4' energy: -105.855 flat angles P-C4'-P energy: -65.572 tors. eta vs tors. theta energy: -96.533 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: 8, replica: 5 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1397.109546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.109546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.109546 (E_RNA) where: Base-Base interactions energy: -935.859 where: short stacking energy: -382.227 Base-Backbone interact. energy: -0.864 local terms energy: -460.386940 where: bonds (distance) C4'-P energy: -84.505 bonds (distance) P-C4' energy: -111.846 flat angles C4'-P-C4' energy: -108.671 flat angles P-C4'-P energy: -65.736 tors. eta vs tors. theta energy: -89.628 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: 9, replica: 7 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1110.420704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.420704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.420704 (E_RNA) where: Base-Base interactions energy: -690.835 where: short stacking energy: -316.369 Base-Backbone interact. energy: 2.960 local terms energy: -422.545417 where: bonds (distance) C4'-P energy: -91.210 bonds (distance) P-C4' energy: -110.240 flat angles C4'-P-C4' energy: -93.626 flat angles P-C4'-P energy: -62.346 tors. eta vs tors. theta energy: -65.124 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: 10, replica: 6 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -1160.014282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.014282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.014282 (E_RNA) where: Base-Base interactions energy: -760.552 where: short stacking energy: -330.055 Base-Backbone interact. energy: 1.928 local terms energy: -401.390239 where: bonds (distance) C4'-P energy: -88.929 bonds (distance) P-C4' energy: -91.126 flat angles C4'-P-C4' energy: -93.985 flat angles P-C4'-P energy: -59.014 tors. eta vs tors. theta energy: -68.337 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: 1, replica: 8 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1930.119813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.119813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.119813 (E_RNA) where: Base-Base interactions energy: -1363.902 where: short stacking energy: -558.742 Base-Backbone interact. energy: -2.118 local terms energy: -564.100181 where: bonds (distance) C4'-P energy: -105.769 bonds (distance) P-C4' energy: -102.645 flat angles C4'-P-C4' energy: -124.113 flat angles P-C4'-P energy: -74.861 tors. eta vs tors. theta energy: -156.713 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: 362 Temperature: 0.950000 Total energy: -1878.228972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.228972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.228972 (E_RNA) where: Base-Base interactions energy: -1303.218 where: short stacking energy: -544.671 Base-Backbone interact. energy: -0.542 local terms energy: -574.469484 where: bonds (distance) C4'-P energy: -92.156 bonds (distance) P-C4' energy: -111.587 flat angles C4'-P-C4' energy: -123.683 flat angles P-C4'-P energy: -89.852 tors. eta vs tors. theta energy: -157.192 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: 3, replica: 1 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1836.205087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.205087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.205087 (E_RNA) where: Base-Base interactions energy: -1284.724 where: short stacking energy: -543.050 Base-Backbone interact. energy: 3.352 local terms energy: -554.833023 where: bonds (distance) C4'-P energy: -96.669 bonds (distance) P-C4' energy: -111.504 flat angles C4'-P-C4' energy: -117.508 flat angles P-C4'-P energy: -76.446 tors. eta vs tors. theta energy: -152.706 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: 3 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1817.025608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.025608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.025608 (E_RNA) where: Base-Base interactions energy: -1278.399 where: short stacking energy: -520.913 Base-Backbone interact. energy: -0.893 local terms energy: -537.733363 where: bonds (distance) C4'-P energy: -94.608 bonds (distance) P-C4' energy: -110.664 flat angles C4'-P-C4' energy: -114.362 flat angles P-C4'-P energy: -78.155 tors. eta vs tors. theta energy: -139.944 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: 5, replica: 4 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1695.278498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.278498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.278498 (E_RNA) where: Base-Base interactions energy: -1178.597 where: short stacking energy: -494.224 Base-Backbone interact. energy: -2.235 local terms energy: -514.446815 where: bonds (distance) C4'-P energy: -89.647 bonds (distance) P-C4' energy: -102.279 flat angles C4'-P-C4' energy: -113.562 flat angles P-C4'-P energy: -70.517 tors. eta vs tors. theta energy: -138.443 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: 6, replica: 9 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1610.238192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.238192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.238192 (E_RNA) where: Base-Base interactions energy: -1107.499 where: short stacking energy: -453.317 Base-Backbone interact. energy: 0.150 local terms energy: -502.890054 where: bonds (distance) C4'-P energy: -87.866 bonds (distance) P-C4' energy: -108.757 flat angles C4'-P-C4' energy: -111.817 flat angles P-C4'-P energy: -66.625 tors. eta vs tors. theta energy: -127.826 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: 7, replica: 10 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1382.748826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.748826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.748826 (E_RNA) where: Base-Base interactions energy: -928.475 where: short stacking energy: -411.106 Base-Backbone interact. energy: 2.909 local terms energy: -457.183698 where: bonds (distance) C4'-P energy: -88.613 bonds (distance) P-C4' energy: -112.889 flat angles C4'-P-C4' energy: -89.675 flat angles P-C4'-P energy: -67.222 tors. eta vs tors. theta energy: -98.784 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: 8, replica: 5 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1344.031302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.031302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.031302 (E_RNA) where: Base-Base interactions energy: -904.541 where: short stacking energy: -382.075 Base-Backbone interact. energy: 3.656 local terms energy: -443.145895 where: bonds (distance) C4'-P energy: -80.678 bonds (distance) P-C4' energy: -105.691 flat angles C4'-P-C4' energy: -93.812 flat angles P-C4'-P energy: -73.676 tors. eta vs tors. theta energy: -89.289 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: 9, replica: 6 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1126.188814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.188814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.188814 (E_RNA) where: Base-Base interactions energy: -745.439 where: short stacking energy: -318.201 Base-Backbone interact. energy: 3.211 local terms energy: -383.960405 where: bonds (distance) C4'-P energy: -91.344 bonds (distance) P-C4' energy: -108.144 flat angles C4'-P-C4' energy: -74.088 flat angles P-C4'-P energy: -53.675 tors. eta vs tors. theta energy: -56.710 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: 10, replica: 7 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -1089.619036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.619036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.619036 (E_RNA) where: Base-Base interactions energy: -675.215 where: short stacking energy: -293.772 Base-Backbone interact. energy: 1.285 local terms energy: -415.689346 where: bonds (distance) C4'-P energy: -94.967 bonds (distance) P-C4' energy: -100.800 flat angles C4'-P-C4' energy: -92.570 flat angles P-C4'-P energy: -59.818 tors. eta vs tors. theta energy: -67.534 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: 1, replica: 8 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1918.528443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.528443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.528443 (E_RNA) where: Base-Base interactions energy: -1336.932 where: short stacking energy: -568.388 Base-Backbone interact. energy: -0.183 local terms energy: -581.413654 where: bonds (distance) C4'-P energy: -105.284 bonds (distance) P-C4' energy: -117.963 flat angles C4'-P-C4' energy: -122.305 flat angles P-C4'-P energy: -79.282 tors. eta vs tors. theta energy: -156.580 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: 2 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1879.291241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.291241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.291241 (E_RNA) where: Base-Base interactions energy: -1321.447 where: short stacking energy: -546.369 Base-Backbone interact. energy: -0.573 local terms energy: -557.271543 where: bonds (distance) C4'-P energy: -105.383 bonds (distance) P-C4' energy: -111.058 flat angles C4'-P-C4' energy: -122.322 flat angles P-C4'-P energy: -64.631 tors. eta vs tors. theta energy: -153.878 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: 3, replica: 1 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1845.524975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.524975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.524975 (E_RNA) where: Base-Base interactions energy: -1279.771 where: short stacking energy: -530.783 Base-Backbone interact. energy: -1.533 local terms energy: -564.221849 where: bonds (distance) C4'-P energy: -101.869 bonds (distance) P-C4' energy: -108.179 flat angles C4'-P-C4' energy: -122.899 flat angles P-C4'-P energy: -77.135 tors. eta vs tors. theta energy: -154.140 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: 4, replica: 3 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1829.136533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.136533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.136533 (E_RNA) where: Base-Base interactions energy: -1297.263 where: short stacking energy: -532.655 Base-Backbone interact. energy: -2.716 local terms energy: -529.157290 where: bonds (distance) C4'-P energy: -101.893 bonds (distance) P-C4' energy: -84.049 flat angles C4'-P-C4' energy: -121.486 flat angles P-C4'-P energy: -77.566 tors. eta vs tors. theta energy: -144.162 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: 4 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1686.347570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.347570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.347570 (E_RNA) where: Base-Base interactions energy: -1186.109 where: short stacking energy: -493.828 Base-Backbone interact. energy: 4.162 local terms energy: -504.400234 where: bonds (distance) C4'-P energy: -88.709 bonds (distance) P-C4' energy: -98.138 flat angles C4'-P-C4' energy: -104.646 flat angles P-C4'-P energy: -71.474 tors. eta vs tors. theta energy: -141.433 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: 9 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1642.518067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.518067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.518067 (E_RNA) where: Base-Base interactions energy: -1131.382 where: short stacking energy: -472.371 Base-Backbone interact. energy: -0.873 local terms energy: -510.263494 where: bonds (distance) C4'-P energy: -97.013 bonds (distance) P-C4' energy: -106.696 flat angles C4'-P-C4' energy: -104.870 flat angles P-C4'-P energy: -68.672 tors. eta vs tors. theta energy: -133.012 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: 7, replica: 10 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1393.595848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.595848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.595848 (E_RNA) where: Base-Base interactions energy: -930.007 where: short stacking energy: -402.603 Base-Backbone interact. energy: 0.643 local terms energy: -464.231348 where: bonds (distance) C4'-P energy: -76.643 bonds (distance) P-C4' energy: -110.107 flat angles C4'-P-C4' energy: -101.010 flat angles P-C4'-P energy: -73.967 tors. eta vs tors. theta energy: -102.503 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: 8, replica: 5 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1336.431397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.431397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.431397 (E_RNA) where: Base-Base interactions energy: -898.280 where: short stacking energy: -385.822 Base-Backbone interact. energy: -1.647 local terms energy: -436.505090 where: bonds (distance) C4'-P energy: -81.113 bonds (distance) P-C4' energy: -107.030 flat angles C4'-P-C4' energy: -94.099 flat angles P-C4'-P energy: -71.808 tors. eta vs tors. theta energy: -82.455 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: 9, replica: 6 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1122.278561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.278561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.278561 (E_RNA) where: Base-Base interactions energy: -728.991 where: short stacking energy: -331.676 Base-Backbone interact. energy: 1.578 local terms energy: -394.865380 where: bonds (distance) C4'-P energy: -78.067 bonds (distance) P-C4' energy: -93.884 flat angles C4'-P-C4' energy: -85.737 flat angles P-C4'-P energy: -67.834 tors. eta vs tors. theta energy: -69.344 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: 10, replica: 7 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -1079.375279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.375279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.375279 (E_RNA) where: Base-Base interactions energy: -706.223 where: short stacking energy: -313.805 Base-Backbone interact. energy: 1.593 local terms energy: -374.744415 where: bonds (distance) C4'-P energy: -79.916 bonds (distance) P-C4' energy: -101.100 flat angles C4'-P-C4' energy: -84.248 flat angles P-C4'-P energy: -53.552 tors. eta vs tors. theta energy: -55.928 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: 2 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1918.214875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.214875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.214875 (E_RNA) where: Base-Base interactions energy: -1332.565 where: short stacking energy: -556.380 Base-Backbone interact. energy: -2.261 local terms energy: -583.388231 where: bonds (distance) C4'-P energy: -99.087 bonds (distance) P-C4' energy: -121.144 flat angles C4'-P-C4' energy: -118.445 flat angles P-C4'-P energy: -82.901 tors. eta vs tors. theta energy: -161.811 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: 2, replica: 8 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1891.271151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.271151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.271151 (E_RNA) where: Base-Base interactions energy: -1328.273 where: short stacking energy: -535.598 Base-Backbone interact. energy: -2.608 local terms energy: -560.390487 where: bonds (distance) C4'-P energy: -93.836 bonds (distance) P-C4' energy: -113.091 flat angles C4'-P-C4' energy: -118.317 flat angles P-C4'-P energy: -79.763 tors. eta vs tors. theta energy: -155.382 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: 3 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1870.870137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.870137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.870137 (E_RNA) where: Base-Base interactions energy: -1315.011 where: short stacking energy: -546.834 Base-Backbone interact. energy: -2.241 local terms energy: -553.617391 where: bonds (distance) C4'-P energy: -87.772 bonds (distance) P-C4' energy: -112.051 flat angles C4'-P-C4' energy: -114.862 flat angles P-C4'-P energy: -82.903 tors. eta vs tors. theta energy: -156.029 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: 4, replica: 1 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1795.812281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.812281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.812281 (E_RNA) where: Base-Base interactions energy: -1243.602 where: short stacking energy: -506.367 Base-Backbone interact. energy: 0.530 local terms energy: -552.740907 where: bonds (distance) C4'-P energy: -89.058 bonds (distance) P-C4' energy: -114.896 flat angles C4'-P-C4' energy: -112.823 flat angles P-C4'-P energy: -82.674 tors. eta vs tors. theta energy: -153.290 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: 5, replica: 9 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1681.765018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.765018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.765018 (E_RNA) where: Base-Base interactions energy: -1168.035 where: short stacking energy: -496.872 Base-Backbone interact. energy: 0.018 local terms energy: -513.747685 where: bonds (distance) C4'-P energy: -85.582 bonds (distance) P-C4' energy: -103.834 flat angles C4'-P-C4' energy: -122.130 flat angles P-C4'-P energy: -69.732 tors. eta vs tors. theta energy: -132.470 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: 6, replica: 4 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1662.724403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.724403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.724403 (E_RNA) where: Base-Base interactions energy: -1157.801 where: short stacking energy: -485.574 Base-Backbone interact. energy: -2.829 local terms energy: -502.093896 where: bonds (distance) C4'-P energy: -86.869 bonds (distance) P-C4' energy: -105.480 flat angles C4'-P-C4' energy: -105.672 flat angles P-C4'-P energy: -75.598 tors. eta vs tors. theta energy: -128.475 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: 7, replica: 10 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1411.556347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.556347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.556347 (E_RNA) where: Base-Base interactions energy: -975.581 where: short stacking energy: -427.751 Base-Backbone interact. energy: 6.410 local terms energy: -442.386147 where: bonds (distance) C4'-P energy: -87.128 bonds (distance) P-C4' energy: -98.086 flat angles C4'-P-C4' energy: -99.478 flat angles P-C4'-P energy: -62.071 tors. eta vs tors. theta energy: -95.622 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: 8, replica: 5 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1370.481662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.481662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.481662 (E_RNA) where: Base-Base interactions energy: -913.051 where: short stacking energy: -384.690 Base-Backbone interact. energy: -2.340 local terms energy: -455.091294 where: bonds (distance) C4'-P energy: -92.185 bonds (distance) P-C4' energy: -107.674 flat angles C4'-P-C4' energy: -94.846 flat angles P-C4'-P energy: -64.558 tors. eta vs tors. theta energy: -95.828 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: 364 Temperature: 1.300000 Total energy: -1137.501324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.501324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.501324 (E_RNA) where: Base-Base interactions energy: -725.653 where: short stacking energy: -329.179 Base-Backbone interact. energy: 2.230 local terms energy: -414.078189 where: bonds (distance) C4'-P energy: -94.172 bonds (distance) P-C4' energy: -102.271 flat angles C4'-P-C4' energy: -86.526 flat angles P-C4'-P energy: -65.674 tors. eta vs tors. theta energy: -65.435 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: 7 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -1089.468681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.468681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.468681 (E_RNA) where: Base-Base interactions energy: -719.269 where: short stacking energy: -323.820 Base-Backbone interact. energy: 0.568 local terms energy: -370.767446 where: bonds (distance) C4'-P energy: -82.611 bonds (distance) P-C4' energy: -99.928 flat angles C4'-P-C4' energy: -81.487 flat angles P-C4'-P energy: -53.496 tors. eta vs tors. theta energy: -53.245 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: 1, replica: 2 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1909.450029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.450029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.450029 (E_RNA) where: Base-Base interactions energy: -1344.133 where: short stacking energy: -561.234 Base-Backbone interact. energy: 0.096 local terms energy: -565.412463 where: bonds (distance) C4'-P energy: -95.982 bonds (distance) P-C4' energy: -113.057 flat angles C4'-P-C4' energy: -110.328 flat angles P-C4'-P energy: -86.081 tors. eta vs tors. theta energy: -159.965 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: 2, replica: 8 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1891.514709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.514709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.514709 (E_RNA) where: Base-Base interactions energy: -1335.213 where: short stacking energy: -540.573 Base-Backbone interact. energy: -0.818 local terms energy: -555.484051 where: bonds (distance) C4'-P energy: -102.109 bonds (distance) P-C4' energy: -114.764 flat angles C4'-P-C4' energy: -104.441 flat angles P-C4'-P energy: -79.895 tors. eta vs tors. theta energy: -154.276 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: 3, replica: 3 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1851.210785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.210785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.210785 (E_RNA) where: Base-Base interactions energy: -1308.215 where: short stacking energy: -540.973 Base-Backbone interact. energy: 0.163 local terms energy: -543.158654 where: bonds (distance) C4'-P energy: -98.391 bonds (distance) P-C4' energy: -107.673 flat angles C4'-P-C4' energy: -115.322 flat angles P-C4'-P energy: -74.675 tors. eta vs tors. theta energy: -147.098 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: 4, replica: 1 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1809.743739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.743739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.743739 (E_RNA) where: Base-Base interactions energy: -1277.212 where: short stacking energy: -509.780 Base-Backbone interact. energy: 3.376 local terms energy: -535.907894 where: bonds (distance) C4'-P energy: -85.798 bonds (distance) P-C4' energy: -123.606 flat angles C4'-P-C4' energy: -104.052 flat angles P-C4'-P energy: -77.923 tors. eta vs tors. theta energy: -144.530 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: 9 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1662.241205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.241205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.241205 (E_RNA) where: Base-Base interactions energy: -1145.391 where: short stacking energy: -461.934 Base-Backbone interact. energy: 1.592 local terms energy: -518.441882 where: bonds (distance) C4'-P energy: -103.575 bonds (distance) P-C4' energy: -104.562 flat angles C4'-P-C4' energy: -111.298 flat angles P-C4'-P energy: -75.384 tors. eta vs tors. theta energy: -123.621 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: 6, replica: 4 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1679.660374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.660374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.660374 (E_RNA) where: Base-Base interactions energy: -1158.177 where: short stacking energy: -483.724 Base-Backbone interact. energy: 4.646 local terms energy: -526.129148 where: bonds (distance) C4'-P energy: -99.370 bonds (distance) P-C4' energy: -92.817 flat angles C4'-P-C4' energy: -111.447 flat angles P-C4'-P energy: -82.132 tors. eta vs tors. theta energy: -140.364 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: 7, replica: 10 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1419.360781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.360781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.360781 (E_RNA) where: Base-Base interactions energy: -965.634 where: short stacking energy: -442.976 Base-Backbone interact. energy: -1.342 local terms energy: -452.384354 where: bonds (distance) C4'-P energy: -79.486 bonds (distance) P-C4' energy: -90.896 flat angles C4'-P-C4' energy: -104.771 flat angles P-C4'-P energy: -75.538 tors. eta vs tors. theta energy: -101.693 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: 5 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1367.381822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.381822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.381822 (E_RNA) where: Base-Base interactions energy: -932.684 where: short stacking energy: -385.345 Base-Backbone interact. energy: 0.633 local terms energy: -435.331285 where: bonds (distance) C4'-P energy: -88.767 bonds (distance) P-C4' energy: -92.928 flat angles C4'-P-C4' energy: -97.030 flat angles P-C4'-P energy: -63.958 tors. eta vs tors. theta energy: -92.649 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: 9, replica: 6 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1128.727368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.727368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.727368 (E_RNA) where: Base-Base interactions energy: -701.721 where: short stacking energy: -308.908 Base-Backbone interact. energy: 2.092 local terms energy: -429.098206 where: bonds (distance) C4'-P energy: -83.447 bonds (distance) P-C4' energy: -110.855 flat angles C4'-P-C4' energy: -93.214 flat angles P-C4'-P energy: -76.011 tors. eta vs tors. theta energy: -65.571 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: 10, replica: 7 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -1119.048523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.048523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.048523 (E_RNA) where: Base-Base interactions energy: -723.681 where: short stacking energy: -319.947 Base-Backbone interact. energy: 2.141 local terms energy: -397.508522 where: bonds (distance) C4'-P energy: -85.763 bonds (distance) P-C4' energy: -106.455 flat angles C4'-P-C4' energy: -82.390 flat angles P-C4'-P energy: -51.731 tors. eta vs tors. theta energy: -71.169 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: 1, replica: 2 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1914.119073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.119073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.119073 (E_RNA) where: Base-Base interactions energy: -1331.476 where: short stacking energy: -550.723 Base-Backbone interact. energy: -3.523 local terms energy: -579.120144 where: bonds (distance) C4'-P energy: -106.748 bonds (distance) P-C4' energy: -104.279 flat angles C4'-P-C4' energy: -122.848 flat angles P-C4'-P energy: -82.831 tors. eta vs tors. theta energy: -162.415 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: 2, replica: 8 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1872.956941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.956941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.956941 (E_RNA) where: Base-Base interactions energy: -1306.522 where: short stacking energy: -535.541 Base-Backbone interact. energy: 0.033 local terms energy: -566.468457 where: bonds (distance) C4'-P energy: -102.606 bonds (distance) P-C4' energy: -116.152 flat angles C4'-P-C4' energy: -112.615 flat angles P-C4'-P energy: -84.235 tors. eta vs tors. theta energy: -150.859 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: 3 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1863.701293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.701293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.701293 (E_RNA) where: Base-Base interactions energy: -1307.470 where: short stacking energy: -553.425 Base-Backbone interact. energy: 0.455 local terms energy: -556.686197 where: bonds (distance) C4'-P energy: -100.007 bonds (distance) P-C4' energy: -112.830 flat angles C4'-P-C4' energy: -118.395 flat angles P-C4'-P energy: -75.036 tors. eta vs tors. theta energy: -150.418 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: 4, replica: 1 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1811.008941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.008941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.008941 (E_RNA) where: Base-Base interactions energy: -1262.020 where: short stacking energy: -530.227 Base-Backbone interact. energy: 1.941 local terms energy: -550.930322 where: bonds (distance) C4'-P energy: -95.414 bonds (distance) P-C4' energy: -111.409 flat angles C4'-P-C4' energy: -112.534 flat angles P-C4'-P energy: -78.463 tors. eta vs tors. theta energy: -153.109 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: 5, replica: 4 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1748.859031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.859031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.859031 (E_RNA) where: Base-Base interactions energy: -1221.718 where: short stacking energy: -499.821 Base-Backbone interact. energy: 0.131 local terms energy: -527.271562 where: bonds (distance) C4'-P energy: -93.648 bonds (distance) P-C4' energy: -103.231 flat angles C4'-P-C4' energy: -100.311 flat angles P-C4'-P energy: -85.271 tors. eta vs tors. theta energy: -144.810 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: 6, replica: 9 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1667.883180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.883180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.883180 (E_RNA) where: Base-Base interactions energy: -1168.118 where: short stacking energy: -475.447 Base-Backbone interact. energy: 0.073 local terms energy: -499.837974 where: bonds (distance) C4'-P energy: -91.509 bonds (distance) P-C4' energy: -109.894 flat angles C4'-P-C4' energy: -111.103 flat angles P-C4'-P energy: -61.020 tors. eta vs tors. theta energy: -126.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1428.850304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.850304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.850304 (E_RNA) where: Base-Base interactions energy: -959.228 where: short stacking energy: -412.797 Base-Backbone interact. energy: 3.442 local terms energy: -473.064607 where: bonds (distance) C4'-P energy: -95.242 bonds (distance) P-C4' energy: -100.187 flat angles C4'-P-C4' energy: -106.866 flat angles P-C4'-P energy: -67.766 tors. eta vs tors. theta energy: -103.003 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: 8, replica: 10 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1344.051753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.051753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.051753 (E_RNA) where: Base-Base interactions energy: -919.798 where: short stacking energy: -415.795 Base-Backbone interact. energy: 9.351 local terms energy: -433.605157 where: bonds (distance) C4'-P energy: -83.925 bonds (distance) P-C4' energy: -105.426 flat angles C4'-P-C4' energy: -92.321 flat angles P-C4'-P energy: -56.473 tors. eta vs tors. theta energy: -95.460 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: 366 Temperature: 1.300000 Total energy: -1114.444165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.444165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.444165 (E_RNA) where: Base-Base interactions energy: -715.114 where: short stacking energy: -331.078 Base-Backbone interact. energy: -0.917 local terms energy: -398.413351 where: bonds (distance) C4'-P energy: -80.486 bonds (distance) P-C4' energy: -91.367 flat angles C4'-P-C4' energy: -91.880 flat angles P-C4'-P energy: -70.462 tors. eta vs tors. theta energy: -64.219 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: 10, replica: 7 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -1121.834803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.834803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.834803 (E_RNA) where: Base-Base interactions energy: -705.604 where: short stacking energy: -318.032 Base-Backbone interact. energy: 1.860 local terms energy: -418.090171 where: bonds (distance) C4'-P energy: -92.908 bonds (distance) P-C4' energy: -98.214 flat angles C4'-P-C4' energy: -104.124 flat angles P-C4'-P energy: -61.097 tors. eta vs tors. theta energy: -61.748 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: 1, replica: 2 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1912.453468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.453468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.453468 (E_RNA) where: Base-Base interactions energy: -1330.143 where: short stacking energy: -540.478 Base-Backbone interact. energy: -0.907 local terms energy: -581.403444 where: bonds (distance) C4'-P energy: -104.522 bonds (distance) P-C4' energy: -122.054 flat angles C4'-P-C4' energy: -124.714 flat angles P-C4'-P energy: -68.348 tors. eta vs tors. theta energy: -161.767 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: 2, replica: 8 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1900.466494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.466494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.466494 (E_RNA) where: Base-Base interactions energy: -1319.600 where: short stacking energy: -545.081 Base-Backbone interact. energy: -3.229 local terms energy: -577.637046 where: bonds (distance) C4'-P energy: -110.853 bonds (distance) P-C4' energy: -109.155 flat angles C4'-P-C4' energy: -117.233 flat angles P-C4'-P energy: -80.382 tors. eta vs tors. theta energy: -160.014 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: 3, replica: 3 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1873.760044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.760044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.760044 (E_RNA) where: Base-Base interactions energy: -1311.237 where: short stacking energy: -531.962 Base-Backbone interact. energy: -1.739 local terms energy: -560.784101 where: bonds (distance) C4'-P energy: -101.280 bonds (distance) P-C4' energy: -111.305 flat angles C4'-P-C4' energy: -110.690 flat angles P-C4'-P energy: -83.437 tors. eta vs tors. theta energy: -154.071 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: 4 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1749.459303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.459303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.459303 (E_RNA) where: Base-Base interactions energy: -1217.935 where: short stacking energy: -505.618 Base-Backbone interact. energy: 6.717 local terms energy: -538.241359 where: bonds (distance) C4'-P energy: -94.741 bonds (distance) P-C4' energy: -112.490 flat angles C4'-P-C4' energy: -115.224 flat angles P-C4'-P energy: -77.876 tors. eta vs tors. theta energy: -137.910 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: 5, replica: 1 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1779.455625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.455625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.455625 (E_RNA) where: Base-Base interactions energy: -1245.303 where: short stacking energy: -512.870 Base-Backbone interact. energy: -0.033 local terms energy: -534.119596 where: bonds (distance) C4'-P energy: -98.185 bonds (distance) P-C4' energy: -100.901 flat angles C4'-P-C4' energy: -110.100 flat angles P-C4'-P energy: -75.380 tors. eta vs tors. theta energy: -149.554 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: 6, replica: 9 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1612.972989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.972989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.972989 (E_RNA) where: Base-Base interactions energy: -1120.954 where: short stacking energy: -458.627 Base-Backbone interact. energy: 1.382 local terms energy: -493.401744 where: bonds (distance) C4'-P energy: -99.968 bonds (distance) P-C4' energy: -104.364 flat angles C4'-P-C4' energy: -98.875 flat angles P-C4'-P energy: -68.988 tors. eta vs tors. theta energy: -121.207 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: 7, replica: 5 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1505.344417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.344417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.344417 (E_RNA) where: Base-Base interactions energy: -1026.246 where: short stacking energy: -418.158 Base-Backbone interact. energy: -1.070 local terms energy: -478.028689 where: bonds (distance) C4'-P energy: -84.912 bonds (distance) P-C4' energy: -110.740 flat angles C4'-P-C4' energy: -108.591 flat angles P-C4'-P energy: -70.748 tors. eta vs tors. theta energy: -103.037 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: 10 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1339.833767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.833767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.833767 (E_RNA) where: Base-Base interactions energy: -905.501 where: short stacking energy: -388.520 Base-Backbone interact. energy: -0.833 local terms energy: -433.499560 where: bonds (distance) C4'-P energy: -94.228 bonds (distance) P-C4' energy: -90.239 flat angles C4'-P-C4' energy: -100.986 flat angles P-C4'-P energy: -58.593 tors. eta vs tors. theta energy: -89.454 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: 367 Temperature: 1.300000 Total energy: -1129.063746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.063746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.063746 (E_RNA) where: Base-Base interactions energy: -729.447 where: short stacking energy: -329.498 Base-Backbone interact. energy: 6.922 local terms energy: -406.538591 where: bonds (distance) C4'-P energy: -75.343 bonds (distance) P-C4' energy: -99.371 flat angles C4'-P-C4' energy: -93.676 flat angles P-C4'-P energy: -69.928 tors. eta vs tors. theta energy: -68.222 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: 7 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -1133.075512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.075512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.075512 (E_RNA) where: Base-Base interactions energy: -726.148 where: short stacking energy: -318.722 Base-Backbone interact. energy: -2.559 local terms energy: -404.368151 where: bonds (distance) C4'-P energy: -86.299 bonds (distance) P-C4' energy: -93.465 flat angles C4'-P-C4' energy: -95.127 flat angles P-C4'-P energy: -62.545 tors. eta vs tors. theta energy: -66.932 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: 1, replica: 8 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1920.200977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.200977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.200977 (E_RNA) where: Base-Base interactions energy: -1344.839 where: short stacking energy: -558.587 Base-Backbone interact. energy: 2.896 local terms energy: -578.257921 where: bonds (distance) C4'-P energy: -89.599 bonds (distance) P-C4' energy: -117.179 flat angles C4'-P-C4' energy: -125.411 flat angles P-C4'-P energy: -87.782 tors. eta vs tors. theta energy: -158.286 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: 2, replica: 2 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1881.138499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.138499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.138499 (E_RNA) where: Base-Base interactions energy: -1323.073 where: short stacking energy: -536.201 Base-Backbone interact. energy: -0.146 local terms energy: -557.919550 where: bonds (distance) C4'-P energy: -102.843 bonds (distance) P-C4' energy: -114.297 flat angles C4'-P-C4' energy: -109.289 flat angles P-C4'-P energy: -76.544 tors. eta vs tors. theta energy: -154.946 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: 3, replica: 3 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1855.537973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.537973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.537973 (E_RNA) where: Base-Base interactions energy: -1308.292 where: short stacking energy: -528.946 Base-Backbone interact. energy: 2.083 local terms energy: -549.328765 where: bonds (distance) C4'-P energy: -95.968 bonds (distance) P-C4' energy: -114.280 flat angles C4'-P-C4' energy: -113.680 flat angles P-C4'-P energy: -78.052 tors. eta vs tors. theta energy: -147.349 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: 4, replica: 4 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1769.175025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.175025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.175025 (E_RNA) where: Base-Base interactions energy: -1225.886 where: short stacking energy: -508.112 Base-Backbone interact. energy: 2.636 local terms energy: -545.925000 where: bonds (distance) C4'-P energy: -102.289 bonds (distance) P-C4' energy: -118.102 flat angles C4'-P-C4' energy: -120.702 flat angles P-C4'-P energy: -65.268 tors. eta vs tors. theta energy: -139.565 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: 1 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1740.394275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.394275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.394275 (E_RNA) where: Base-Base interactions energy: -1216.915 where: short stacking energy: -514.460 Base-Backbone interact. energy: -0.477 local terms energy: -523.002939 where: bonds (distance) C4'-P energy: -82.863 bonds (distance) P-C4' energy: -104.579 flat angles C4'-P-C4' energy: -115.643 flat angles P-C4'-P energy: -74.069 tors. eta vs tors. theta energy: -145.848 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: 6, replica: 9 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1664.960276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.960276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.960276 (E_RNA) where: Base-Base interactions energy: -1187.670 where: short stacking energy: -485.500 Base-Backbone interact. energy: 0.481 local terms energy: -477.771441 where: bonds (distance) C4'-P energy: -76.378 bonds (distance) P-C4' energy: -103.326 flat angles C4'-P-C4' energy: -109.832 flat angles P-C4'-P energy: -59.103 tors. eta vs tors. theta energy: -129.132 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: 7, replica: 5 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1528.456830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.456830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.456830 (E_RNA) where: Base-Base interactions energy: -1057.209 where: short stacking energy: -460.717 Base-Backbone interact. energy: 2.731 local terms energy: -473.978652 where: bonds (distance) C4'-P energy: -96.309 bonds (distance) P-C4' energy: -89.748 flat angles C4'-P-C4' energy: -105.156 flat angles P-C4'-P energy: -67.792 tors. eta vs tors. theta energy: -114.973 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: 8, replica: 10 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1395.435447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.435447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.435447 (E_RNA) where: Base-Base interactions energy: -921.748 where: short stacking energy: -397.880 Base-Backbone interact. energy: -2.422 local terms energy: -471.265249 where: bonds (distance) C4'-P energy: -89.862 bonds (distance) P-C4' energy: -107.706 flat angles C4'-P-C4' energy: -106.346 flat angles P-C4'-P energy: -66.859 tors. eta vs tors. theta energy: -100.492 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: 9, replica: 6 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1140.099737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.099737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.099737 (E_RNA) where: Base-Base interactions energy: -718.748 where: short stacking energy: -317.279 Base-Backbone interact. energy: 1.143 local terms energy: -422.494432 where: bonds (distance) C4'-P energy: -91.352 bonds (distance) P-C4' energy: -100.540 flat angles C4'-P-C4' energy: -104.110 flat angles P-C4'-P energy: -53.457 tors. eta vs tors. theta energy: -73.035 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: 7 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -1131.004295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.004295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.004295 (E_RNA) where: Base-Base interactions energy: -760.784 where: short stacking energy: -356.424 Base-Backbone interact. energy: 3.882 local terms energy: -374.102344 where: bonds (distance) C4'-P energy: -76.406 bonds (distance) P-C4' energy: -88.713 flat angles C4'-P-C4' energy: -85.608 flat angles P-C4'-P energy: -55.468 tors. eta vs tors. theta energy: -67.907 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: 1, replica: 8 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1917.176932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.176932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.176932 (E_RNA) where: Base-Base interactions energy: -1344.225 where: short stacking energy: -560.761 Base-Backbone interact. energy: 1.669 local terms energy: -574.620178 where: bonds (distance) C4'-P energy: -93.926 bonds (distance) P-C4' energy: -124.099 flat angles C4'-P-C4' energy: -118.634 flat angles P-C4'-P energy: -75.117 tors. eta vs tors. theta energy: -162.843 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: 2, replica: 3 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1885.277393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.277393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.277393 (E_RNA) where: Base-Base interactions energy: -1333.725 where: short stacking energy: -550.168 Base-Backbone interact. energy: -1.463 local terms energy: -550.089644 where: bonds (distance) C4'-P energy: -98.366 bonds (distance) P-C4' energy: -105.326 flat angles C4'-P-C4' energy: -115.594 flat angles P-C4'-P energy: -71.451 tors. eta vs tors. theta energy: -159.353 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: 3, replica: 2 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1865.224452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.224452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.224452 (E_RNA) where: Base-Base interactions energy: -1304.976 where: short stacking energy: -540.687 Base-Backbone interact. energy: -0.789 local terms energy: -559.459432 where: bonds (distance) C4'-P energy: -99.419 bonds (distance) P-C4' energy: -113.929 flat angles C4'-P-C4' energy: -113.535 flat angles P-C4'-P energy: -79.472 tors. eta vs tors. theta energy: -153.104 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: 4, replica: 4 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1788.827580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.827580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.827580 (E_RNA) where: Base-Base interactions energy: -1247.011 where: short stacking energy: -507.798 Base-Backbone interact. energy: -0.912 local terms energy: -540.904136 where: bonds (distance) C4'-P energy: -83.982 bonds (distance) P-C4' energy: -110.002 flat angles C4'-P-C4' energy: -117.532 flat angles P-C4'-P energy: -84.286 tors. eta vs tors. theta energy: -145.102 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: 1 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1766.001303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.001303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.001303 (E_RNA) where: Base-Base interactions energy: -1226.435 where: short stacking energy: -497.546 Base-Backbone interact. energy: 0.180 local terms energy: -539.746533 where: bonds (distance) C4'-P energy: -96.757 bonds (distance) P-C4' energy: -109.099 flat angles C4'-P-C4' energy: -111.441 flat angles P-C4'-P energy: -76.095 tors. eta vs tors. theta energy: -146.355 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: 6, replica: 9 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1642.970628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.970628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.970628 (E_RNA) where: Base-Base interactions energy: -1140.340 where: short stacking energy: -475.673 Base-Backbone interact. energy: 6.135 local terms energy: -508.765334 where: bonds (distance) C4'-P energy: -88.461 bonds (distance) P-C4' energy: -100.457 flat angles C4'-P-C4' energy: -113.388 flat angles P-C4'-P energy: -77.606 tors. eta vs tors. theta energy: -128.853 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: 7, replica: 5 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1481.565840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.565840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.565840 (E_RNA) where: Base-Base interactions energy: -1010.958 where: short stacking energy: -414.842 Base-Backbone interact. energy: -2.407 local terms energy: -468.200049 where: bonds (distance) C4'-P energy: -81.395 bonds (distance) P-C4' energy: -97.396 flat angles C4'-P-C4' energy: -101.578 flat angles P-C4'-P energy: -69.517 tors. eta vs tors. theta energy: -118.313 Dist. restrs. and SS energy: 0.000 (S_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: 369 Temperature: 1.250000 Total energy: -1366.542037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.542037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.542037 (E_RNA) where: Base-Base interactions energy: -937.278 where: short stacking energy: -400.293 Base-Backbone interact. energy: 1.748 local terms energy: -431.012040 where: bonds (distance) C4'-P energy: -89.769 bonds (distance) P-C4' energy: -112.967 flat angles C4'-P-C4' energy: -87.843 flat angles P-C4'-P energy: -48.123 tors. eta vs tors. theta energy: -92.309 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: 6 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1152.855808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.855808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.855808 (E_RNA) where: Base-Base interactions energy: -739.403 where: short stacking energy: -326.480 Base-Backbone interact. energy: -0.043 local terms energy: -413.409088 where: bonds (distance) C4'-P energy: -82.107 bonds (distance) P-C4' energy: -103.567 flat angles C4'-P-C4' energy: -102.488 flat angles P-C4'-P energy: -66.420 tors. eta vs tors. theta energy: -58.828 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: 10, replica: 7 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -1102.630304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.630304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.630304 (E_RNA) where: Base-Base interactions energy: -706.632 where: short stacking energy: -304.974 Base-Backbone interact. energy: 5.228 local terms energy: -401.226130 where: bonds (distance) C4'-P energy: -77.331 bonds (distance) P-C4' energy: -93.749 flat angles C4'-P-C4' energy: -82.274 flat angles P-C4'-P energy: -76.667 tors. eta vs tors. theta energy: -71.205 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: 1, replica: 8 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1922.042593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.042593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.042593 (E_RNA) where: Base-Base interactions energy: -1338.461 where: short stacking energy: -548.056 Base-Backbone interact. energy: -1.983 local terms energy: -581.598595 where: bonds (distance) C4'-P energy: -100.750 bonds (distance) P-C4' energy: -120.530 flat angles C4'-P-C4' energy: -118.277 flat angles P-C4'-P energy: -87.048 tors. eta vs tors. theta energy: -154.995 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: 2, replica: 3 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1881.451526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.451526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.451526 (E_RNA) where: Base-Base interactions energy: -1345.016 where: short stacking energy: -542.808 Base-Backbone interact. energy: 1.471 local terms energy: -537.906341 where: bonds (distance) C4'-P energy: -82.496 bonds (distance) P-C4' energy: -106.208 flat angles C4'-P-C4' energy: -110.804 flat angles P-C4'-P energy: -78.656 tors. eta vs tors. theta energy: -159.741 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: 3, replica: 2 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1858.972435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.972435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.972435 (E_RNA) where: Base-Base interactions energy: -1299.710 where: short stacking energy: -549.836 Base-Backbone interact. energy: 3.111 local terms energy: -562.373294 where: bonds (distance) C4'-P energy: -100.422 bonds (distance) P-C4' energy: -108.582 flat angles C4'-P-C4' energy: -116.266 flat angles P-C4'-P energy: -83.650 tors. eta vs tors. theta energy: -153.453 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: 4 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1756.156254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.156254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.156254 (E_RNA) where: Base-Base interactions energy: -1235.638 where: short stacking energy: -492.200 Base-Backbone interact. energy: 2.368 local terms energy: -522.886299 where: bonds (distance) C4'-P energy: -89.258 bonds (distance) P-C4' energy: -107.323 flat angles C4'-P-C4' energy: -113.319 flat angles P-C4'-P energy: -76.618 tors. eta vs tors. theta energy: -136.368 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: 1 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1759.547373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.547373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.547373 (E_RNA) where: Base-Base interactions energy: -1245.740 where: short stacking energy: -514.241 Base-Backbone interact. energy: 2.543 local terms energy: -516.350399 where: bonds (distance) C4'-P energy: -85.145 bonds (distance) P-C4' energy: -101.582 flat angles C4'-P-C4' energy: -111.716 flat angles P-C4'-P energy: -70.721 tors. eta vs tors. theta energy: -147.187 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: 6, replica: 9 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1592.248022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.248022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.248022 (E_RNA) where: Base-Base interactions energy: -1101.202 where: short stacking energy: -457.937 Base-Backbone interact. energy: -1.401 local terms energy: -489.645073 where: bonds (distance) C4'-P energy: -95.857 bonds (distance) P-C4' energy: -95.719 flat angles C4'-P-C4' energy: -113.040 flat angles P-C4'-P energy: -69.212 tors. eta vs tors. theta energy: -115.817 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: 7, replica: 5 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1480.251408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.251408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.251408 (E_RNA) where: Base-Base interactions energy: -997.844 where: short stacking energy: -416.786 Base-Backbone interact. energy: 5.977 local terms energy: -488.384693 where: bonds (distance) C4'-P energy: -86.461 bonds (distance) P-C4' energy: -107.122 flat angles C4'-P-C4' energy: -113.124 flat angles P-C4'-P energy: -71.810 tors. eta vs tors. theta energy: -109.868 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: 8, replica: 10 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1320.699847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.699847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.699847 (E_RNA) where: Base-Base interactions energy: -883.262 where: short stacking energy: -386.322 Base-Backbone interact. energy: 9.035 local terms energy: -446.472560 where: bonds (distance) C4'-P energy: -93.427 bonds (distance) P-C4' energy: -102.383 flat angles C4'-P-C4' energy: -100.018 flat angles P-C4'-P energy: -67.656 tors. eta vs tors. theta energy: -82.989 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: 370 Temperature: 1.300000 Total energy: -1117.175516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.175516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.175516 (E_RNA) where: Base-Base interactions energy: -722.335 where: short stacking energy: -328.579 Base-Backbone interact. energy: 3.477 local terms energy: -398.316882 where: bonds (distance) C4'-P energy: -88.010 bonds (distance) P-C4' energy: -100.391 flat angles C4'-P-C4' energy: -92.804 flat angles P-C4'-P energy: -57.239 tors. eta vs tors. theta energy: -59.873 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: 7 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -1092.887901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.887901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.887901 (E_RNA) where: Base-Base interactions energy: -716.926 where: short stacking energy: -307.148 Base-Backbone interact. energy: -2.000 local terms energy: -373.961995 where: bonds (distance) C4'-P energy: -86.846 bonds (distance) P-C4' energy: -88.870 flat angles C4'-P-C4' energy: -85.042 flat angles P-C4'-P energy: -53.507 tors. eta vs tors. theta energy: -59.698 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: 8 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1912.302253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.302253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.302253 (E_RNA) where: Base-Base interactions energy: -1330.411 where: short stacking energy: -553.420 Base-Backbone interact. energy: -0.609 local terms energy: -581.282495 where: bonds (distance) C4'-P energy: -107.705 bonds (distance) P-C4' energy: -109.734 flat angles C4'-P-C4' energy: -122.648 flat angles P-C4'-P energy: -79.081 tors. eta vs tors. theta energy: -162.115 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: 2 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1861.121811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.121811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.121811 (E_RNA) where: Base-Base interactions energy: -1300.935 where: short stacking energy: -528.483 Base-Backbone interact. energy: -1.544 local terms energy: -558.643049 where: bonds (distance) C4'-P energy: -104.748 bonds (distance) P-C4' energy: -104.911 flat angles C4'-P-C4' energy: -117.818 flat angles P-C4'-P energy: -79.443 tors. eta vs tors. theta energy: -151.723 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: 3, replica: 3 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1831.641470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.641470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.641470 (E_RNA) where: Base-Base interactions energy: -1290.234 where: short stacking energy: -527.397 Base-Backbone interact. energy: -2.163 local terms energy: -539.244428 where: bonds (distance) C4'-P energy: -95.626 bonds (distance) P-C4' energy: -104.126 flat angles C4'-P-C4' energy: -112.110 flat angles P-C4'-P energy: -73.911 tors. eta vs tors. theta energy: -153.472 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: 4, replica: 4 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1743.656113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.656113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.656113 (E_RNA) where: Base-Base interactions energy: -1199.942 where: short stacking energy: -496.404 Base-Backbone interact. energy: 0.521 local terms energy: -544.234770 where: bonds (distance) C4'-P energy: -99.551 bonds (distance) P-C4' energy: -103.716 flat angles C4'-P-C4' energy: -118.092 flat angles P-C4'-P energy: -79.113 tors. eta vs tors. theta energy: -143.763 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: 1 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1713.876382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.876382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.876382 (E_RNA) where: Base-Base interactions energy: -1195.287 where: short stacking energy: -486.831 Base-Backbone interact. energy: -1.976 local terms energy: -516.613262 where: bonds (distance) C4'-P energy: -91.740 bonds (distance) P-C4' energy: -109.253 flat angles C4'-P-C4' energy: -114.301 flat angles P-C4'-P energy: -64.436 tors. eta vs tors. theta energy: -136.885 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: 9 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1543.336444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.336444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.336444 (E_RNA) where: Base-Base interactions energy: -1056.674 where: short stacking energy: -428.613 Base-Backbone interact. energy: 1.752 local terms energy: -488.414717 where: bonds (distance) C4'-P energy: -85.408 bonds (distance) P-C4' energy: -109.954 flat angles C4'-P-C4' energy: -108.676 flat angles P-C4'-P energy: -75.383 tors. eta vs tors. theta energy: -108.994 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: 7, replica: 5 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1496.195395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.195395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.195395 (E_RNA) where: Base-Base interactions energy: -1032.947 where: short stacking energy: -437.898 Base-Backbone interact. energy: 4.670 local terms energy: -467.918827 where: bonds (distance) C4'-P energy: -84.459 bonds (distance) P-C4' energy: -106.614 flat angles C4'-P-C4' energy: -108.098 flat angles P-C4'-P energy: -59.947 tors. eta vs tors. theta energy: -108.801 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: 8, replica: 10 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1323.922806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.922806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.922806 (E_RNA) where: Base-Base interactions energy: -887.065 where: short stacking energy: -374.581 Base-Backbone interact. energy: 2.652 local terms energy: -439.510306 where: bonds (distance) C4'-P energy: -103.376 bonds (distance) P-C4' energy: -81.044 flat angles C4'-P-C4' energy: -94.684 flat angles P-C4'-P energy: -70.857 tors. eta vs tors. theta energy: -89.550 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: 371 Temperature: 1.300000 Total energy: -1153.252715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.252715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.252715 (E_RNA) where: Base-Base interactions energy: -760.441 where: short stacking energy: -332.110 Base-Backbone interact. energy: -1.218 local terms energy: -391.593895 where: bonds (distance) C4'-P energy: -76.460 bonds (distance) P-C4' energy: -97.350 flat angles C4'-P-C4' energy: -92.479 flat angles P-C4'-P energy: -71.731 tors. eta vs tors. theta energy: -53.574 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: 10, replica: 7 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -1103.940078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.940078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.940078 (E_RNA) where: Base-Base interactions energy: -711.253 where: short stacking energy: -322.038 Base-Backbone interact. energy: 2.813 local terms energy: -395.500134 where: bonds (distance) C4'-P energy: -87.064 bonds (distance) P-C4' energy: -87.853 flat angles C4'-P-C4' energy: -95.509 flat angles P-C4'-P energy: -58.318 tors. eta vs tors. theta energy: -66.756 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: 1, replica: 8 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1916.468588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.468588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.468588 (E_RNA) where: Base-Base interactions energy: -1348.412 where: short stacking energy: -555.784 Base-Backbone interact. energy: -0.555 local terms energy: -567.501771 where: bonds (distance) C4'-P energy: -98.993 bonds (distance) P-C4' energy: -113.882 flat angles C4'-P-C4' energy: -121.561 flat angles P-C4'-P energy: -79.926 tors. eta vs tors. theta energy: -153.140 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: 2 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1891.205792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.205792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.205792 (E_RNA) where: Base-Base interactions energy: -1308.488 where: short stacking energy: -540.813 Base-Backbone interact. energy: -1.570 local terms energy: -581.147371 where: bonds (distance) C4'-P energy: -102.616 bonds (distance) P-C4' energy: -115.735 flat angles C4'-P-C4' energy: -116.945 flat angles P-C4'-P energy: -86.628 tors. eta vs tors. theta energy: -159.224 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: 3, replica: 3 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1881.967389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.967389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.967389 (E_RNA) where: Base-Base interactions energy: -1321.298 where: short stacking energy: -534.410 Base-Backbone interact. energy: -2.211 local terms energy: -558.458546 where: bonds (distance) C4'-P energy: -102.093 bonds (distance) P-C4' energy: -114.409 flat angles C4'-P-C4' energy: -114.276 flat angles P-C4'-P energy: -73.346 tors. eta vs tors. theta energy: -154.334 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: 4 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1768.230271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.230271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.230271 (E_RNA) where: Base-Base interactions energy: -1227.795 where: short stacking energy: -506.135 Base-Backbone interact. energy: -0.608 local terms energy: -539.826984 where: bonds (distance) C4'-P energy: -98.734 bonds (distance) P-C4' energy: -115.640 flat angles C4'-P-C4' energy: -116.533 flat angles P-C4'-P energy: -67.232 tors. eta vs tors. theta energy: -141.688 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: 5, replica: 1 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1750.444684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.444684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.444684 (E_RNA) where: Base-Base interactions energy: -1248.011 where: short stacking energy: -499.353 Base-Backbone interact. energy: -2.299 local terms energy: -500.134151 where: bonds (distance) C4'-P energy: -86.758 bonds (distance) P-C4' energy: -94.458 flat angles C4'-P-C4' energy: -114.000 flat angles P-C4'-P energy: -73.054 tors. eta vs tors. theta energy: -131.864 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: 6, replica: 9 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1614.301310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.301310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.301310 (E_RNA) where: Base-Base interactions energy: -1104.951 where: short stacking energy: -462.647 Base-Backbone interact. energy: -1.463 local terms energy: -507.886708 where: bonds (distance) C4'-P energy: -97.764 bonds (distance) P-C4' energy: -105.600 flat angles C4'-P-C4' energy: -103.000 flat angles P-C4'-P energy: -71.894 tors. eta vs tors. theta energy: -129.630 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: 5 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1506.364105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.364105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.364105 (E_RNA) where: Base-Base interactions energy: -1039.854 where: short stacking energy: -430.937 Base-Backbone interact. energy: -0.571 local terms energy: -465.938425 where: bonds (distance) C4'-P energy: -83.849 bonds (distance) P-C4' energy: -110.344 flat angles C4'-P-C4' energy: -95.888 flat angles P-C4'-P energy: -59.319 tors. eta vs tors. theta energy: -116.538 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: 10 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1282.952890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.952890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.952890 (E_RNA) where: Base-Base interactions energy: -839.409 where: short stacking energy: -386.437 Base-Backbone interact. energy: -1.415 local terms energy: -442.129147 where: bonds (distance) C4'-P energy: -87.344 bonds (distance) P-C4' energy: -92.253 flat angles C4'-P-C4' energy: -102.998 flat angles P-C4'-P energy: -56.123 tors. eta vs tors. theta energy: -103.412 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: 9, replica: 6 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1188.351489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.351489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.351489 (E_RNA) where: Base-Base interactions energy: -784.400 where: short stacking energy: -353.704 Base-Backbone interact. energy: 5.077 local terms energy: -409.028502 where: bonds (distance) C4'-P energy: -87.545 bonds (distance) P-C4' energy: -103.144 flat angles C4'-P-C4' energy: -84.598 flat angles P-C4'-P energy: -62.242 tors. eta vs tors. theta energy: -71.500 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: 10, replica: 7 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -1111.680795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.680795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.680795 (E_RNA) where: Base-Base interactions energy: -735.129 where: short stacking energy: -309.719 Base-Backbone interact. energy: -1.152 local terms energy: -375.398971 where: bonds (distance) C4'-P energy: -70.786 bonds (distance) P-C4' energy: -100.457 flat angles C4'-P-C4' energy: -85.663 flat angles P-C4'-P energy: -62.590 tors. eta vs tors. theta energy: -55.903 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: 1, replica: 8 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1904.514004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.514004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.514004 (E_RNA) where: Base-Base interactions energy: -1331.712 where: short stacking energy: -547.088 Base-Backbone interact. energy: -0.352 local terms energy: -572.450106 where: bonds (distance) C4'-P energy: -104.892 bonds (distance) P-C4' energy: -116.119 flat angles C4'-P-C4' energy: -118.384 flat angles P-C4'-P energy: -76.585 tors. eta vs tors. theta energy: -156.471 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: 2 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1866.172838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.172838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.172838 (E_RNA) where: Base-Base interactions energy: -1318.126 where: short stacking energy: -537.312 Base-Backbone interact. energy: -2.267 local terms energy: -545.779797 where: bonds (distance) C4'-P energy: -99.599 bonds (distance) P-C4' energy: -100.913 flat angles C4'-P-C4' energy: -111.691 flat angles P-C4'-P energy: -77.865 tors. eta vs tors. theta energy: -155.712 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: 3, replica: 3 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1874.542064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.542064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.542064 (E_RNA) where: Base-Base interactions energy: -1349.628 where: short stacking energy: -542.365 Base-Backbone interact. energy: -1.909 local terms energy: -523.005277 where: bonds (distance) C4'-P energy: -93.703 bonds (distance) P-C4' energy: -98.186 flat angles C4'-P-C4' energy: -106.692 flat angles P-C4'-P energy: -72.232 tors. eta vs tors. theta energy: -152.192 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: 4, replica: 4 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1766.867882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.867882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.867882 (E_RNA) where: Base-Base interactions energy: -1241.336 where: short stacking energy: -487.022 Base-Backbone interact. energy: -1.649 local terms energy: -523.883325 where: bonds (distance) C4'-P energy: -92.252 bonds (distance) P-C4' energy: -113.987 flat angles C4'-P-C4' energy: -119.529 flat angles P-C4'-P energy: -69.030 tors. eta vs tors. theta energy: -129.085 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: 1 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1760.713276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.713276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.713276 (E_RNA) where: Base-Base interactions energy: -1235.103 where: short stacking energy: -510.312 Base-Backbone interact. energy: -1.671 local terms energy: -523.939069 where: bonds (distance) C4'-P energy: -81.437 bonds (distance) P-C4' energy: -99.547 flat angles C4'-P-C4' energy: -115.713 flat angles P-C4'-P energy: -84.941 tors. eta vs tors. theta energy: -142.302 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: 6, replica: 9 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1630.106919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.106919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.106919 (E_RNA) where: Base-Base interactions energy: -1128.969 where: short stacking energy: -475.698 Base-Backbone interact. energy: 0.380 local terms energy: -501.517791 where: bonds (distance) C4'-P energy: -101.472 bonds (distance) P-C4' energy: -99.688 flat angles C4'-P-C4' energy: -99.929 flat angles P-C4'-P energy: -74.179 tors. eta vs tors. theta energy: -126.250 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: 7, replica: 5 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1488.855624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.855624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.855624 (E_RNA) where: Base-Base interactions energy: -1020.782 where: short stacking energy: -427.568 Base-Backbone interact. energy: 1.461 local terms energy: -469.534844 where: bonds (distance) C4'-P energy: -87.934 bonds (distance) P-C4' energy: -106.909 flat angles C4'-P-C4' energy: -99.337 flat angles P-C4'-P energy: -76.058 tors. eta vs tors. theta energy: -99.298 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: 10 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1273.468778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.468778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.468778 (E_RNA) where: Base-Base interactions energy: -852.628 where: short stacking energy: -375.046 Base-Backbone interact. energy: -1.321 local terms energy: -419.520463 where: bonds (distance) C4'-P energy: -76.503 bonds (distance) P-C4' energy: -93.646 flat angles C4'-P-C4' energy: -94.937 flat angles P-C4'-P energy: -64.099 tors. eta vs tors. theta energy: -90.335 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: 6 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1176.945483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.945483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.945483 (E_RNA) where: Base-Base interactions energy: -781.488 where: short stacking energy: -351.105 Base-Backbone interact. energy: -0.341 local terms energy: -395.117045 where: bonds (distance) C4'-P energy: -75.034 bonds (distance) P-C4' energy: -93.377 flat angles C4'-P-C4' energy: -93.640 flat angles P-C4'-P energy: -59.713 tors. eta vs tors. theta energy: -73.353 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: 7 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -1103.485916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.485916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.485916 (E_RNA) where: Base-Base interactions energy: -700.501 where: short stacking energy: -306.827 Base-Backbone interact. energy: 1.355 local terms energy: -404.339634 where: bonds (distance) C4'-P energy: -78.362 bonds (distance) P-C4' energy: -113.155 flat angles C4'-P-C4' energy: -80.302 flat angles P-C4'-P energy: -61.556 tors. eta vs tors. theta energy: -70.964 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: 8 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1923.347933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.347933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.347933 (E_RNA) where: Base-Base interactions energy: -1350.342 where: short stacking energy: -573.810 Base-Backbone interact. energy: 1.875 local terms energy: -574.880353 where: bonds (distance) C4'-P energy: -98.996 bonds (distance) P-C4' energy: -108.625 flat angles C4'-P-C4' energy: -120.115 flat angles P-C4'-P energy: -87.671 tors. eta vs tors. theta energy: -159.473 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: 2 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1868.178230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.178230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.178230 (E_RNA) where: Base-Base interactions energy: -1319.860 where: short stacking energy: -559.660 Base-Backbone interact. energy: -0.368 local terms energy: -547.949532 where: bonds (distance) C4'-P energy: -93.806 bonds (distance) P-C4' energy: -109.554 flat angles C4'-P-C4' energy: -110.181 flat angles P-C4'-P energy: -79.009 tors. eta vs tors. theta energy: -155.400 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: 3, replica: 3 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1855.610094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.610094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.610094 (E_RNA) where: Base-Base interactions energy: -1293.687 where: short stacking energy: -538.345 Base-Backbone interact. energy: -1.729 local terms energy: -560.194693 where: bonds (distance) C4'-P energy: -93.549 bonds (distance) P-C4' energy: -109.791 flat angles C4'-P-C4' energy: -115.853 flat angles P-C4'-P energy: -80.341 tors. eta vs tors. theta energy: -160.661 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: 4 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1756.985128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.985128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.985128 (E_RNA) where: Base-Base interactions energy: -1243.375 where: short stacking energy: -492.642 Base-Backbone interact. energy: 1.257 local terms energy: -514.866620 where: bonds (distance) C4'-P energy: -88.245 bonds (distance) P-C4' energy: -102.790 flat angles C4'-P-C4' energy: -111.787 flat angles P-C4'-P energy: -78.279 tors. eta vs tors. theta energy: -133.764 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: 5, replica: 1 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1742.539932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.539932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.539932 (E_RNA) where: Base-Base interactions energy: -1215.880 where: short stacking energy: -499.284 Base-Backbone interact. energy: 2.018 local terms energy: -528.678185 where: bonds (distance) C4'-P energy: -91.605 bonds (distance) P-C4' energy: -105.890 flat angles C4'-P-C4' energy: -111.966 flat angles P-C4'-P energy: -77.291 tors. eta vs tors. theta energy: -141.926 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: 6, replica: 9 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1607.630918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.630918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.630918 (E_RNA) where: Base-Base interactions energy: -1114.568 where: short stacking energy: -466.979 Base-Backbone interact. energy: 3.363 local terms energy: -496.425569 where: bonds (distance) C4'-P energy: -86.265 bonds (distance) P-C4' energy: -98.417 flat angles C4'-P-C4' energy: -117.061 flat angles P-C4'-P energy: -69.875 tors. eta vs tors. theta energy: -124.808 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: 7, replica: 5 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1533.229599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.229599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.229599 (E_RNA) where: Base-Base interactions energy: -1051.868 where: short stacking energy: -451.787 Base-Backbone interact. energy: 1.349 local terms energy: -482.710437 where: bonds (distance) C4'-P energy: -89.720 bonds (distance) P-C4' energy: -107.893 flat angles C4'-P-C4' energy: -107.973 flat angles P-C4'-P energy: -65.019 tors. eta vs tors. theta energy: -112.106 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: 10 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1257.193416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.193416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.193416 (E_RNA) where: Base-Base interactions energy: -839.599 where: short stacking energy: -370.890 Base-Backbone interact. energy: 2.556 local terms energy: -420.151015 where: bonds (distance) C4'-P energy: -95.068 bonds (distance) P-C4' energy: -87.065 flat angles C4'-P-C4' energy: -93.502 flat angles P-C4'-P energy: -63.280 tors. eta vs tors. theta energy: -81.237 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: 374 Temperature: 1.300000 Total energy: -1175.784854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.784854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.784854 (E_RNA) where: Base-Base interactions energy: -766.666 where: short stacking energy: -355.421 Base-Backbone interact. energy: -2.439 local terms energy: -406.679486 where: bonds (distance) C4'-P energy: -64.756 bonds (distance) P-C4' energy: -112.098 flat angles C4'-P-C4' energy: -97.717 flat angles P-C4'-P energy: -65.420 tors. eta vs tors. theta energy: -66.689 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: 10, replica: 7 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -1119.463681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.463681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.463681 (E_RNA) where: Base-Base interactions energy: -707.484 where: short stacking energy: -310.717 Base-Backbone interact. energy: -1.004 local terms energy: -410.975513 where: bonds (distance) C4'-P energy: -81.576 bonds (distance) P-C4' energy: -112.359 flat angles C4'-P-C4' energy: -96.893 flat angles P-C4'-P energy: -59.508 tors. eta vs tors. theta energy: -60.639 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: 8 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1915.265899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.265899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.265899 (E_RNA) where: Base-Base interactions energy: -1343.403 where: short stacking energy: -559.599 Base-Backbone interact. energy: 1.325 local terms energy: -573.188041 where: bonds (distance) C4'-P energy: -104.812 bonds (distance) P-C4' energy: -117.616 flat angles C4'-P-C4' energy: -119.023 flat angles P-C4'-P energy: -74.695 tors. eta vs tors. theta energy: -157.041 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: 2, replica: 3 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1891.237691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.237691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.237691 (E_RNA) where: Base-Base interactions energy: -1328.485 where: short stacking energy: -552.043 Base-Backbone interact. energy: -0.282 local terms energy: -562.470317 where: bonds (distance) C4'-P energy: -95.093 bonds (distance) P-C4' energy: -109.178 flat angles C4'-P-C4' energy: -120.251 flat angles P-C4'-P energy: -83.930 tors. eta vs tors. theta energy: -154.019 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: 2 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1846.645514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.645514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.645514 (E_RNA) where: Base-Base interactions energy: -1291.642 where: short stacking energy: -520.920 Base-Backbone interact. energy: -0.419 local terms energy: -554.584972 where: bonds (distance) C4'-P energy: -97.871 bonds (distance) P-C4' energy: -108.205 flat angles C4'-P-C4' energy: -111.883 flat angles P-C4'-P energy: -75.653 tors. eta vs tors. theta energy: -160.973 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: 4, replica: 1 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1794.441978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.441978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.441978 (E_RNA) where: Base-Base interactions energy: -1254.209 where: short stacking energy: -509.651 Base-Backbone interact. energy: -0.738 local terms energy: -539.494672 where: bonds (distance) C4'-P energy: -93.392 bonds (distance) P-C4' energy: -109.070 flat angles C4'-P-C4' energy: -115.708 flat angles P-C4'-P energy: -73.482 tors. eta vs tors. theta energy: -147.844 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: 375 Temperature: 1.100000 Total energy: -1734.534364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.534364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.534364 (E_RNA) where: Base-Base interactions energy: -1232.444 where: short stacking energy: -503.278 Base-Backbone interact. energy: -0.456 local terms energy: -501.633793 where: bonds (distance) C4'-P energy: -86.017 bonds (distance) P-C4' energy: -99.942 flat angles C4'-P-C4' energy: -104.780 flat angles P-C4'-P energy: -69.222 tors. eta vs tors. theta energy: -141.673 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: 6, replica: 9 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1626.886205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.886205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.886205 (E_RNA) where: Base-Base interactions energy: -1118.633 where: short stacking energy: -469.887 Base-Backbone interact. energy: 0.078 local terms energy: -508.331503 where: bonds (distance) C4'-P energy: -95.131 bonds (distance) P-C4' energy: -106.842 flat angles C4'-P-C4' energy: -106.740 flat angles P-C4'-P energy: -70.685 tors. eta vs tors. theta energy: -128.934 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: 7, replica: 5 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1535.518665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.518665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.518665 (E_RNA) where: Base-Base interactions energy: -1060.965 where: short stacking energy: -445.076 Base-Backbone interact. energy: 2.969 local terms energy: -477.523033 where: bonds (distance) C4'-P energy: -84.100 bonds (distance) P-C4' energy: -104.306 flat angles C4'-P-C4' energy: -104.001 flat angles P-C4'-P energy: -80.498 tors. eta vs tors. theta energy: -104.618 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: 8, replica: 10 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1307.881226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.881226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.881226 (E_RNA) where: Base-Base interactions energy: -866.934 where: short stacking energy: -366.694 Base-Backbone interact. energy: -1.051 local terms energy: -439.896360 where: bonds (distance) C4'-P energy: -95.800 bonds (distance) P-C4' energy: -109.785 flat angles C4'-P-C4' energy: -100.854 flat angles P-C4'-P energy: -54.550 tors. eta vs tors. theta energy: -78.907 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: 9, replica: 6 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1151.806700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.806700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.806700 (E_RNA) where: Base-Base interactions energy: -733.335 where: short stacking energy: -323.689 Base-Backbone interact. energy: -0.125 local terms energy: -418.347107 where: bonds (distance) C4'-P energy: -90.718 bonds (distance) P-C4' energy: -98.558 flat angles C4'-P-C4' energy: -81.966 flat angles P-C4'-P energy: -65.711 tors. eta vs tors. theta energy: -81.394 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: 7 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -1091.735208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.735208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.735208 (E_RNA) where: Base-Base interactions energy: -700.204 where: short stacking energy: -314.543 Base-Backbone interact. energy: 2.682 local terms energy: -394.212707 where: bonds (distance) C4'-P energy: -79.417 bonds (distance) P-C4' energy: -103.896 flat angles C4'-P-C4' energy: -90.679 flat angles P-C4'-P energy: -62.452 tors. eta vs tors. theta energy: -57.768 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: 8 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1929.269113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.269113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.269113 (E_RNA) where: Base-Base interactions energy: -1361.783 where: short stacking energy: -559.097 Base-Backbone interact. energy: -1.834 local terms energy: -565.651601 where: bonds (distance) C4'-P energy: -99.091 bonds (distance) P-C4' energy: -106.325 flat angles C4'-P-C4' energy: -120.724 flat angles P-C4'-P energy: -76.607 tors. eta vs tors. theta energy: -162.904 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: 3 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1900.840090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.840090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.840090 (E_RNA) where: Base-Base interactions energy: -1336.363 where: short stacking energy: -547.630 Base-Backbone interact. energy: 3.611 local terms energy: -568.088248 where: bonds (distance) C4'-P energy: -93.217 bonds (distance) P-C4' energy: -117.480 flat angles C4'-P-C4' energy: -123.702 flat angles P-C4'-P energy: -80.105 tors. eta vs tors. theta energy: -153.585 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: 3, replica: 2 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1861.941314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.941314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.941314 (E_RNA) where: Base-Base interactions energy: -1305.406 where: short stacking energy: -532.785 Base-Backbone interact. energy: -1.598 local terms energy: -554.937837 where: bonds (distance) C4'-P energy: -87.928 bonds (distance) P-C4' energy: -114.515 flat angles C4'-P-C4' energy: -121.664 flat angles P-C4'-P energy: -82.266 tors. eta vs tors. theta energy: -148.564 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: 4, replica: 1 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1824.123173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.123173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.123173 (E_RNA) where: Base-Base interactions energy: -1287.051 where: short stacking energy: -531.845 Base-Backbone interact. energy: 4.134 local terms energy: -541.206732 where: bonds (distance) C4'-P energy: -86.221 bonds (distance) P-C4' energy: -110.297 flat angles C4'-P-C4' energy: -115.310 flat angles P-C4'-P energy: -77.697 tors. eta vs tors. theta energy: -151.682 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: 5, replica: 4 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1729.177131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.177131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.177131 (E_RNA) where: Base-Base interactions energy: -1231.405 where: short stacking energy: -515.822 Base-Backbone interact. energy: 1.100 local terms energy: -498.871644 where: bonds (distance) C4'-P energy: -95.801 bonds (distance) P-C4' energy: -94.927 flat angles C4'-P-C4' energy: -98.153 flat angles P-C4'-P energy: -72.083 tors. eta vs tors. theta energy: -137.907 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: 6, replica: 9 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1582.924319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.924319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.924319 (E_RNA) where: Base-Base interactions energy: -1102.005 where: short stacking energy: -460.317 Base-Backbone interact. energy: 0.200 local terms energy: -481.119476 where: bonds (distance) C4'-P energy: -80.574 bonds (distance) P-C4' energy: -91.194 flat angles C4'-P-C4' energy: -109.646 flat angles P-C4'-P energy: -76.137 tors. eta vs tors. theta energy: -123.569 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: 7, replica: 5 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1487.703897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.703897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.703897 (E_RNA) where: Base-Base interactions energy: -1019.986 where: short stacking energy: -418.720 Base-Backbone interact. energy: 3.734 local terms energy: -471.452119 where: bonds (distance) C4'-P energy: -76.159 bonds (distance) P-C4' energy: -105.428 flat angles C4'-P-C4' energy: -106.134 flat angles P-C4'-P energy: -74.056 tors. eta vs tors. theta energy: -109.675 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: 10 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1271.774768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.774768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.774768 (E_RNA) where: Base-Base interactions energy: -858.848 where: short stacking energy: -377.645 Base-Backbone interact. energy: 2.662 local terms energy: -415.588645 where: bonds (distance) C4'-P energy: -85.122 bonds (distance) P-C4' energy: -84.967 flat angles C4'-P-C4' energy: -106.639 flat angles P-C4'-P energy: -64.788 tors. eta vs tors. theta energy: -74.073 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: 9, replica: 7 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1113.723809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.723809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.723809 (E_RNA) where: Base-Base interactions energy: -703.717 where: short stacking energy: -314.580 Base-Backbone interact. energy: 2.766 local terms energy: -412.772014 where: bonds (distance) C4'-P energy: -87.416 bonds (distance) P-C4' energy: -94.123 flat angles C4'-P-C4' energy: -101.654 flat angles P-C4'-P energy: -67.836 tors. eta vs tors. theta energy: -61.743 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: 10, replica: 6 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -1120.916869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.916869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.916869 (E_RNA) where: Base-Base interactions energy: -704.951 where: short stacking energy: -302.870 Base-Backbone interact. energy: 0.096 local terms energy: -416.061672 where: bonds (distance) C4'-P energy: -96.412 bonds (distance) P-C4' energy: -98.317 flat angles C4'-P-C4' energy: -93.007 flat angles P-C4'-P energy: -63.644 tors. eta vs tors. theta energy: -64.681 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: 8 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1916.011665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.011665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.011665 (E_RNA) where: Base-Base interactions energy: -1339.250 where: short stacking energy: -540.887 Base-Backbone interact. energy: -2.164 local terms energy: -574.598065 where: bonds (distance) C4'-P energy: -109.666 bonds (distance) P-C4' energy: -116.640 flat angles C4'-P-C4' energy: -114.074 flat angles P-C4'-P energy: -71.245 tors. eta vs tors. theta energy: -162.973 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: 2, replica: 3 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1890.821153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.821153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.821153 (E_RNA) where: Base-Base interactions energy: -1328.002 where: short stacking energy: -540.574 Base-Backbone interact. energy: -0.646 local terms energy: -562.172816 where: bonds (distance) C4'-P energy: -91.633 bonds (distance) P-C4' energy: -114.143 flat angles C4'-P-C4' energy: -121.132 flat angles P-C4'-P energy: -86.406 tors. eta vs tors. theta energy: -148.859 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: 2 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1860.979197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.979197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.979197 (E_RNA) where: Base-Base interactions energy: -1301.972 where: short stacking energy: -524.451 Base-Backbone interact. energy: 0.045 local terms energy: -559.052451 where: bonds (distance) C4'-P energy: -101.646 bonds (distance) P-C4' energy: -110.817 flat angles C4'-P-C4' energy: -114.818 flat angles P-C4'-P energy: -76.157 tors. eta vs tors. theta energy: -155.614 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: 1 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1770.166731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.166731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.166731 (E_RNA) where: Base-Base interactions energy: -1234.163 where: short stacking energy: -509.115 Base-Backbone interact. energy: 0.568 local terms energy: -536.571465 where: bonds (distance) C4'-P energy: -81.705 bonds (distance) P-C4' energy: -107.290 flat angles C4'-P-C4' energy: -114.922 flat angles P-C4'-P energy: -82.207 tors. eta vs tors. theta energy: -150.448 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: 4 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1722.692866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.692866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.692866 (E_RNA) where: Base-Base interactions energy: -1192.424 where: short stacking energy: -488.933 Base-Backbone interact. energy: 0.225 local terms energy: -530.493152 where: bonds (distance) C4'-P energy: -89.124 bonds (distance) P-C4' energy: -112.021 flat angles C4'-P-C4' energy: -109.977 flat angles P-C4'-P energy: -77.697 tors. eta vs tors. theta energy: -141.675 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: 9 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1593.674164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.674164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.674164 (E_RNA) where: Base-Base interactions energy: -1116.452 where: short stacking energy: -473.826 Base-Backbone interact. energy: -1.109 local terms energy: -476.113004 where: bonds (distance) C4'-P energy: -79.049 bonds (distance) P-C4' energy: -104.399 flat angles C4'-P-C4' energy: -106.899 flat angles P-C4'-P energy: -68.709 tors. eta vs tors. theta energy: -117.057 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: 5 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1527.334002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.334002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.334002 (E_RNA) where: Base-Base interactions energy: -1040.339 where: short stacking energy: -429.987 Base-Backbone interact. energy: 0.986 local terms energy: -487.980551 where: bonds (distance) C4'-P energy: -98.731 bonds (distance) P-C4' energy: -94.527 flat angles C4'-P-C4' energy: -111.200 flat angles P-C4'-P energy: -68.199 tors. eta vs tors. theta energy: -115.325 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: 10 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1291.167538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.167538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.167538 (E_RNA) where: Base-Base interactions energy: -852.881 where: short stacking energy: -371.568 Base-Backbone interact. energy: 0.820 local terms energy: -439.106527 where: bonds (distance) C4'-P energy: -84.665 bonds (distance) P-C4' energy: -113.557 flat angles C4'-P-C4' energy: -96.040 flat angles P-C4'-P energy: -65.820 tors. eta vs tors. theta energy: -79.025 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: 9, replica: 7 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1122.439685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.439685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.439685 (E_RNA) where: Base-Base interactions energy: -743.589 where: short stacking energy: -320.046 Base-Backbone interact. energy: 4.761 local terms energy: -383.612384 where: bonds (distance) C4'-P energy: -91.694 bonds (distance) P-C4' energy: -98.776 flat angles C4'-P-C4' energy: -80.473 flat angles P-C4'-P energy: -60.603 tors. eta vs tors. theta energy: -52.067 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: 10, replica: 6 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -1122.812672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.812672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.812672 (E_RNA) where: Base-Base interactions energy: -711.748 where: short stacking energy: -319.864 Base-Backbone interact. energy: 2.190 local terms energy: -413.254742 where: bonds (distance) C4'-P energy: -99.785 bonds (distance) P-C4' energy: -107.828 flat angles C4'-P-C4' energy: -82.187 flat angles P-C4'-P energy: -61.891 tors. eta vs tors. theta energy: -61.564 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: 8 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1918.080384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.080384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.080384 (E_RNA) where: Base-Base interactions energy: -1340.139 where: short stacking energy: -543.296 Base-Backbone interact. energy: 0.541 local terms energy: -578.482834 where: bonds (distance) C4'-P energy: -111.195 bonds (distance) P-C4' energy: -111.278 flat angles C4'-P-C4' energy: -117.663 flat angles P-C4'-P energy: -80.482 tors. eta vs tors. theta energy: -157.865 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: 2, replica: 3 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1868.083677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.083677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.083677 (E_RNA) where: Base-Base interactions energy: -1303.274 where: short stacking energy: -532.870 Base-Backbone interact. energy: -1.576 local terms energy: -563.233803 where: bonds (distance) C4'-P energy: -98.629 bonds (distance) P-C4' energy: -110.070 flat angles C4'-P-C4' energy: -119.455 flat angles P-C4'-P energy: -80.515 tors. eta vs tors. theta energy: -154.564 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: 2 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1849.108595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.108595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.108595 (E_RNA) where: Base-Base interactions energy: -1299.032 where: short stacking energy: -544.411 Base-Backbone interact. energy: -0.490 local terms energy: -549.587318 where: bonds (distance) C4'-P energy: -101.626 bonds (distance) P-C4' energy: -103.256 flat angles C4'-P-C4' energy: -118.641 flat angles P-C4'-P energy: -78.740 tors. eta vs tors. theta energy: -147.324 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: 4, replica: 1 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1775.675187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.675187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.675187 (E_RNA) where: Base-Base interactions energy: -1229.143 where: short stacking energy: -503.068 Base-Backbone interact. energy: -0.586 local terms energy: -545.945971 where: bonds (distance) C4'-P energy: -99.614 bonds (distance) P-C4' energy: -110.622 flat angles C4'-P-C4' energy: -108.229 flat angles P-C4'-P energy: -82.804 tors. eta vs tors. theta energy: -144.677 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: 5, replica: 4 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1710.389256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.389256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.389256 (E_RNA) where: Base-Base interactions energy: -1196.006 where: short stacking energy: -497.469 Base-Backbone interact. energy: 0.966 local terms energy: -515.350004 where: bonds (distance) C4'-P energy: -99.351 bonds (distance) P-C4' energy: -107.453 flat angles C4'-P-C4' energy: -98.730 flat angles P-C4'-P energy: -78.485 tors. eta vs tors. theta energy: -131.330 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: 6, replica: 9 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1625.508919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.508919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.508919 (E_RNA) where: Base-Base interactions energy: -1112.923 where: short stacking energy: -470.653 Base-Backbone interact. energy: -0.668 local terms energy: -511.917323 where: bonds (distance) C4'-P energy: -98.309 bonds (distance) P-C4' energy: -113.611 flat angles C4'-P-C4' energy: -101.999 flat angles P-C4'-P energy: -76.057 tors. eta vs tors. theta energy: -121.940 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: 5 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1509.449801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.449801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.449801 (E_RNA) where: Base-Base interactions energy: -1024.365 where: short stacking energy: -409.925 Base-Backbone interact. energy: 2.843 local terms energy: -487.928034 where: bonds (distance) C4'-P energy: -95.280 bonds (distance) P-C4' energy: -108.663 flat angles C4'-P-C4' energy: -105.067 flat angles P-C4'-P energy: -69.103 tors. eta vs tors. theta energy: -109.815 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: 8, replica: 10 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1275.951810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.951810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.951810 (E_RNA) where: Base-Base interactions energy: -831.717 where: short stacking energy: -348.311 Base-Backbone interact. energy: -1.574 local terms energy: -442.660924 where: bonds (distance) C4'-P energy: -102.174 bonds (distance) P-C4' energy: -99.828 flat angles C4'-P-C4' energy: -89.044 flat angles P-C4'-P energy: -68.070 tors. eta vs tors. theta energy: -83.545 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: 378 Temperature: 1.300000 Total energy: -1116.513437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.513437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.513437 (E_RNA) where: Base-Base interactions energy: -734.029 where: short stacking energy: -332.025 Base-Backbone interact. energy: 3.655 local terms energy: -386.139230 where: bonds (distance) C4'-P energy: -77.962 bonds (distance) P-C4' energy: -95.023 flat angles C4'-P-C4' energy: -86.950 flat angles P-C4'-P energy: -62.382 tors. eta vs tors. theta energy: -63.822 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: 10, replica: 7 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -1109.441473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.441473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.441473 (E_RNA) where: Base-Base interactions energy: -707.180 where: short stacking energy: -313.367 Base-Backbone interact. energy: -0.084 local terms energy: -402.177004 where: bonds (distance) C4'-P energy: -80.816 bonds (distance) P-C4' energy: -107.603 flat angles C4'-P-C4' energy: -90.395 flat angles P-C4'-P energy: -55.198 tors. eta vs tors. theta energy: -68.165 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: 8 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1921.363064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.363064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.363064 (E_RNA) where: Base-Base interactions energy: -1349.386 where: short stacking energy: -552.550 Base-Backbone interact. energy: -1.415 local terms energy: -570.562367 where: bonds (distance) C4'-P energy: -108.541 bonds (distance) P-C4' energy: -115.978 flat angles C4'-P-C4' energy: -115.514 flat angles P-C4'-P energy: -69.152 tors. eta vs tors. theta energy: -161.378 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: 2, replica: 3 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1872.625841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.625841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.625841 (E_RNA) where: Base-Base interactions energy: -1310.000 where: short stacking energy: -550.177 Base-Backbone interact. energy: -1.772 local terms energy: -560.853532 where: bonds (distance) C4'-P energy: -101.282 bonds (distance) P-C4' energy: -108.921 flat angles C4'-P-C4' energy: -120.706 flat angles P-C4'-P energy: -74.269 tors. eta vs tors. theta energy: -155.675 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: 3, replica: 2 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1839.728319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.728319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.728319 (E_RNA) where: Base-Base interactions energy: -1290.694 where: short stacking energy: -539.571 Base-Backbone interact. energy: -0.055 local terms energy: -548.979228 where: bonds (distance) C4'-P energy: -99.908 bonds (distance) P-C4' energy: -106.086 flat angles C4'-P-C4' energy: -110.688 flat angles P-C4'-P energy: -79.743 tors. eta vs tors. theta energy: -152.553 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: 4, replica: 1 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1806.747937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.747937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.747937 (E_RNA) where: Base-Base interactions energy: -1278.617 where: short stacking energy: -520.509 Base-Backbone interact. energy: 1.822 local terms energy: -529.952276 where: bonds (distance) C4'-P energy: -91.802 bonds (distance) P-C4' energy: -102.096 flat angles C4'-P-C4' energy: -108.625 flat angles P-C4'-P energy: -75.867 tors. eta vs tors. theta energy: -151.562 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: 4 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1745.457121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.457121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.457121 (E_RNA) where: Base-Base interactions energy: -1248.389 where: short stacking energy: -508.419 Base-Backbone interact. energy: 3.909 local terms energy: -500.976974 where: bonds (distance) C4'-P energy: -82.065 bonds (distance) P-C4' energy: -100.579 flat angles C4'-P-C4' energy: -107.534 flat angles P-C4'-P energy: -68.342 tors. eta vs tors. theta energy: -142.456 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: 9 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1633.383478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.383478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.383478 (E_RNA) where: Base-Base interactions energy: -1113.067 where: short stacking energy: -489.208 Base-Backbone interact. energy: -2.539 local terms energy: -517.777300 where: bonds (distance) C4'-P energy: -95.950 bonds (distance) P-C4' energy: -104.475 flat angles C4'-P-C4' energy: -107.005 flat angles P-C4'-P energy: -77.098 tors. eta vs tors. theta energy: -133.250 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: 7, replica: 5 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1493.076517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.076517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.076517 (E_RNA) where: Base-Base interactions energy: -1016.273 where: short stacking energy: -431.292 Base-Backbone interact. energy: 3.599 local terms energy: -480.402099 where: bonds (distance) C4'-P energy: -91.725 bonds (distance) P-C4' energy: -100.452 flat angles C4'-P-C4' energy: -95.503 flat angles P-C4'-P energy: -75.674 tors. eta vs tors. theta energy: -117.047 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: 8, replica: 10 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1257.214466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.214466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.214466 (E_RNA) where: Base-Base interactions energy: -855.671 where: short stacking energy: -370.739 Base-Backbone interact. energy: -1.605 local terms energy: -399.938225 where: bonds (distance) C4'-P energy: -93.688 bonds (distance) P-C4' energy: -86.098 flat angles C4'-P-C4' energy: -86.618 flat angles P-C4'-P energy: -58.383 tors. eta vs tors. theta energy: -75.151 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: 9, replica: 6 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1147.571825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.571825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.571825 (E_RNA) where: Base-Base interactions energy: -752.852 where: short stacking energy: -345.241 Base-Backbone interact. energy: 3.331 local terms energy: -398.051237 where: bonds (distance) C4'-P energy: -83.249 bonds (distance) P-C4' energy: -107.081 flat angles C4'-P-C4' energy: -81.594 flat angles P-C4'-P energy: -62.473 tors. eta vs tors. theta energy: -63.654 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: 10, replica: 7 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -1103.811175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.811175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.811175 (E_RNA) where: Base-Base interactions energy: -706.776 where: short stacking energy: -317.324 Base-Backbone interact. energy: -1.487 local terms energy: -395.548194 where: bonds (distance) C4'-P energy: -80.682 bonds (distance) P-C4' energy: -99.177 flat angles C4'-P-C4' energy: -81.087 flat angles P-C4'-P energy: -70.193 tors. eta vs tors. theta energy: -64.409 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: 1, replica: 8 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1922.484454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.484454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.484454 (E_RNA) where: Base-Base interactions energy: -1347.711 where: short stacking energy: -556.891 Base-Backbone interact. energy: 4.782 local terms energy: -579.554633 where: bonds (distance) C4'-P energy: -103.559 bonds (distance) P-C4' energy: -114.926 flat angles C4'-P-C4' energy: -121.929 flat angles P-C4'-P energy: -81.881 tors. eta vs tors. theta energy: -157.259 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: 3 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1879.857955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.857955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.857955 (E_RNA) where: Base-Base interactions energy: -1321.534 where: short stacking energy: -547.830 Base-Backbone interact. energy: -2.907 local terms energy: -555.417314 where: bonds (distance) C4'-P energy: -98.288 bonds (distance) P-C4' energy: -100.783 flat angles C4'-P-C4' energy: -122.346 flat angles P-C4'-P energy: -74.089 tors. eta vs tors. theta energy: -159.910 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: 2 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1854.613046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.613046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.613046 (E_RNA) where: Base-Base interactions energy: -1305.098 where: short stacking energy: -535.117 Base-Backbone interact. energy: -0.471 local terms energy: -549.044738 where: bonds (distance) C4'-P energy: -88.011 bonds (distance) P-C4' energy: -106.525 flat angles C4'-P-C4' energy: -114.430 flat angles P-C4'-P energy: -83.283 tors. eta vs tors. theta energy: -156.796 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: 1 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1821.509951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.509951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.509951 (E_RNA) where: Base-Base interactions energy: -1302.800 where: short stacking energy: -528.126 Base-Backbone interact. energy: 2.142 local terms energy: -520.851486 where: bonds (distance) C4'-P energy: -98.363 bonds (distance) P-C4' energy: -101.182 flat angles C4'-P-C4' energy: -109.319 flat angles P-C4'-P energy: -72.421 tors. eta vs tors. theta energy: -139.566 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: 4 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1691.249153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.249153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.249153 (E_RNA) where: Base-Base interactions energy: -1178.736 where: short stacking energy: -481.857 Base-Backbone interact. energy: 0.797 local terms energy: -513.310034 where: bonds (distance) C4'-P energy: -81.932 bonds (distance) P-C4' energy: -118.049 flat angles C4'-P-C4' energy: -100.435 flat angles P-C4'-P energy: -77.307 tors. eta vs tors. theta energy: -135.587 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: 6, replica: 9 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1603.710617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.710617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.710617 (E_RNA) where: Base-Base interactions energy: -1109.133 where: short stacking energy: -458.794 Base-Backbone interact. energy: 5.848 local terms energy: -500.426043 where: bonds (distance) C4'-P energy: -90.162 bonds (distance) P-C4' energy: -108.589 flat angles C4'-P-C4' energy: -107.454 flat angles P-C4'-P energy: -71.871 tors. eta vs tors. theta energy: -122.350 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: 7, replica: 5 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1531.241668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.241668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.241668 (E_RNA) where: Base-Base interactions energy: -1046.909 where: short stacking energy: -433.860 Base-Backbone interact. energy: -1.871 local terms energy: -482.462134 where: bonds (distance) C4'-P energy: -85.222 bonds (distance) P-C4' energy: -114.112 flat angles C4'-P-C4' energy: -95.380 flat angles P-C4'-P energy: -69.399 tors. eta vs tors. theta energy: -118.349 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: 8, replica: 10 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1264.987161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.987161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.987161 (E_RNA) where: Base-Base interactions energy: -830.027 where: short stacking energy: -367.869 Base-Backbone interact. energy: 1.409 local terms energy: -436.368730 where: bonds (distance) C4'-P energy: -86.797 bonds (distance) P-C4' energy: -105.956 flat angles C4'-P-C4' energy: -98.467 flat angles P-C4'-P energy: -69.834 tors. eta vs tors. theta energy: -75.314 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: 9, replica: 7 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1121.572771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.572771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.572771 (E_RNA) where: Base-Base interactions energy: -700.271 where: short stacking energy: -309.951 Base-Backbone interact. energy: -3.225 local terms energy: -418.075963 where: bonds (distance) C4'-P energy: -94.225 bonds (distance) P-C4' energy: -104.887 flat angles C4'-P-C4' energy: -98.754 flat angles P-C4'-P energy: -70.590 tors. eta vs tors. theta energy: -49.620 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: 10, replica: 6 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -1111.262336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.262336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.262336 (E_RNA) where: Base-Base interactions energy: -715.225 where: short stacking energy: -318.000 Base-Backbone interact. energy: -0.347 local terms energy: -395.689549 where: bonds (distance) C4'-P energy: -76.539 bonds (distance) P-C4' energy: -108.775 flat angles C4'-P-C4' energy: -82.280 flat angles P-C4'-P energy: -70.882 tors. eta vs tors. theta energy: -57.214 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: 8 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1907.516012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.516012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.516012 (E_RNA) where: Base-Base interactions energy: -1336.708 where: short stacking energy: -544.418 Base-Backbone interact. energy: 4.057 local terms energy: -574.865243 where: bonds (distance) C4'-P energy: -101.916 bonds (distance) P-C4' energy: -115.548 flat angles C4'-P-C4' energy: -122.475 flat angles P-C4'-P energy: -79.976 tors. eta vs tors. theta energy: -154.950 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: 2, replica: 3 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1903.967443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.967443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.967443 (E_RNA) where: Base-Base interactions energy: -1320.347 where: short stacking energy: -529.340 Base-Backbone interact. energy: 0.783 local terms energy: -584.403035 where: bonds (distance) C4'-P energy: -97.969 bonds (distance) P-C4' energy: -129.332 flat angles C4'-P-C4' energy: -112.952 flat angles P-C4'-P energy: -85.652 tors. eta vs tors. theta energy: -158.499 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: 2 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1853.629515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.629515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.629515 (E_RNA) where: Base-Base interactions energy: -1292.154 where: short stacking energy: -542.112 Base-Backbone interact. energy: 2.366 local terms energy: -563.841715 where: bonds (distance) C4'-P energy: -94.225 bonds (distance) P-C4' energy: -109.061 flat angles C4'-P-C4' energy: -118.286 flat angles P-C4'-P energy: -82.495 tors. eta vs tors. theta energy: -159.774 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: 4, replica: 1 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1826.044957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.044957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.044957 (E_RNA) where: Base-Base interactions energy: -1285.142 where: short stacking energy: -529.853 Base-Backbone interact. energy: 1.880 local terms energy: -542.782824 where: bonds (distance) C4'-P energy: -85.071 bonds (distance) P-C4' energy: -105.858 flat angles C4'-P-C4' energy: -111.564 flat angles P-C4'-P energy: -89.970 tors. eta vs tors. theta energy: -150.320 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: 381 Temperature: 1.100000 Total energy: -1710.491035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.491035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.491035 (E_RNA) where: Base-Base interactions energy: -1199.585 where: short stacking energy: -501.376 Base-Backbone interact. energy: 1.944 local terms energy: -512.849950 where: bonds (distance) C4'-P energy: -92.456 bonds (distance) P-C4' energy: -97.794 flat angles C4'-P-C4' energy: -101.010 flat angles P-C4'-P energy: -77.299 tors. eta vs tors. theta energy: -144.291 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: 6, replica: 9 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1621.318425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.318425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.318425 (E_RNA) where: Base-Base interactions energy: -1129.055 where: short stacking energy: -500.787 Base-Backbone interact. energy: 0.469 local terms energy: -492.732406 where: bonds (distance) C4'-P energy: -79.136 bonds (distance) P-C4' energy: -93.279 flat angles C4'-P-C4' energy: -108.159 flat angles P-C4'-P energy: -77.300 tors. eta vs tors. theta energy: -134.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1492.825743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.825743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.825743 (E_RNA) where: Base-Base interactions energy: -1026.267 where: short stacking energy: -429.762 Base-Backbone interact. energy: 1.030 local terms energy: -467.589002 where: bonds (distance) C4'-P energy: -94.276 bonds (distance) P-C4' energy: -89.390 flat angles C4'-P-C4' energy: -108.943 flat angles P-C4'-P energy: -64.183 tors. eta vs tors. theta energy: -110.797 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: 8, replica: 10 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1282.024431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.024431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.024431 (E_RNA) where: Base-Base interactions energy: -825.388 where: short stacking energy: -357.097 Base-Backbone interact. energy: -0.346 local terms energy: -456.290976 where: bonds (distance) C4'-P energy: -93.268 bonds (distance) P-C4' energy: -111.630 flat angles C4'-P-C4' energy: -103.617 flat angles P-C4'-P energy: -69.774 tors. eta vs tors. theta energy: -78.003 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: 7 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1154.364756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.364756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.364756 (E_RNA) where: Base-Base interactions energy: -732.709 where: short stacking energy: -329.478 Base-Backbone interact. energy: 2.090 local terms energy: -423.745906 where: bonds (distance) C4'-P energy: -84.884 bonds (distance) P-C4' energy: -112.199 flat angles C4'-P-C4' energy: -96.308 flat angles P-C4'-P energy: -59.679 tors. eta vs tors. theta energy: -70.676 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: 10, replica: 6 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -1109.307026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.307026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.307026 (E_RNA) where: Base-Base interactions energy: -697.327 where: short stacking energy: -313.794 Base-Backbone interact. energy: 0.708 local terms energy: -412.687407 where: bonds (distance) C4'-P energy: -80.454 bonds (distance) P-C4' energy: -100.025 flat angles C4'-P-C4' energy: -97.693 flat angles P-C4'-P energy: -64.714 tors. eta vs tors. theta energy: -69.802 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: 1, replica: 8 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1909.470335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.470335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.470335 (E_RNA) where: Base-Base interactions energy: -1323.845 where: short stacking energy: -554.259 Base-Backbone interact. energy: -3.032 local terms energy: -582.592967 where: bonds (distance) C4'-P energy: -104.873 bonds (distance) P-C4' energy: -116.184 flat angles C4'-P-C4' energy: -118.068 flat angles P-C4'-P energy: -84.632 tors. eta vs tors. theta energy: -158.836 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: 2, replica: 3 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1875.379701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.379701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.379701 (E_RNA) where: Base-Base interactions energy: -1326.231 where: short stacking energy: -540.874 Base-Backbone interact. energy: 5.049 local terms energy: -554.197988 where: bonds (distance) C4'-P energy: -93.272 bonds (distance) P-C4' energy: -106.758 flat angles C4'-P-C4' energy: -120.046 flat angles P-C4'-P energy: -75.477 tors. eta vs tors. theta energy: -158.645 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: 1 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1808.837662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.837662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.837662 (E_RNA) where: Base-Base interactions energy: -1276.904 where: short stacking energy: -539.456 Base-Backbone interact. energy: -0.788 local terms energy: -531.145060 where: bonds (distance) C4'-P energy: -82.872 bonds (distance) P-C4' energy: -110.809 flat angles C4'-P-C4' energy: -115.528 flat angles P-C4'-P energy: -74.290 tors. eta vs tors. theta energy: -147.645 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: 4, replica: 2 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1807.592071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.592071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.592071 (E_RNA) where: Base-Base interactions energy: -1288.048 where: short stacking energy: -519.531 Base-Backbone interact. energy: -0.286 local terms energy: -519.258479 where: bonds (distance) C4'-P energy: -86.245 bonds (distance) P-C4' energy: -104.544 flat angles C4'-P-C4' energy: -111.987 flat angles P-C4'-P energy: -71.400 tors. eta vs tors. theta energy: -145.082 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: 4 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1698.389353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.389353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.389353 (E_RNA) where: Base-Base interactions energy: -1172.564 where: short stacking energy: -485.353 Base-Backbone interact. energy: 0.886 local terms energy: -526.711239 where: bonds (distance) C4'-P energy: -95.443 bonds (distance) P-C4' energy: -108.489 flat angles C4'-P-C4' energy: -110.713 flat angles P-C4'-P energy: -73.844 tors. eta vs tors. theta energy: -138.222 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: 6, replica: 9 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1620.679236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.679236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.679236 (E_RNA) where: Base-Base interactions energy: -1117.061 where: short stacking energy: -464.526 Base-Backbone interact. energy: 0.560 local terms energy: -504.177777 where: bonds (distance) C4'-P energy: -91.354 bonds (distance) P-C4' energy: -110.516 flat angles C4'-P-C4' energy: -111.809 flat angles P-C4'-P energy: -68.695 tors. eta vs tors. theta energy: -121.803 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: 5 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1486.481346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.481346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.481346 (E_RNA) where: Base-Base interactions energy: -1009.670 where: short stacking energy: -430.800 Base-Backbone interact. energy: -0.286 local terms energy: -476.525742 where: bonds (distance) C4'-P energy: -97.703 bonds (distance) P-C4' energy: -96.521 flat angles C4'-P-C4' energy: -101.002 flat angles P-C4'-P energy: -68.011 tors. eta vs tors. theta energy: -113.289 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: 10 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1267.491440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.491440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.491440 (E_RNA) where: Base-Base interactions energy: -820.894 where: short stacking energy: -362.015 Base-Backbone interact. energy: 0.469 local terms energy: -447.065915 where: bonds (distance) C4'-P energy: -87.505 bonds (distance) P-C4' energy: -112.623 flat angles C4'-P-C4' energy: -97.457 flat angles P-C4'-P energy: -67.053 tors. eta vs tors. theta energy: -82.428 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: 7 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1151.174799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.174799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.174799 (E_RNA) where: Base-Base interactions energy: -775.201 where: short stacking energy: -333.535 Base-Backbone interact. energy: 2.551 local terms energy: -378.525209 where: bonds (distance) C4'-P energy: -86.096 bonds (distance) P-C4' energy: -92.562 flat angles C4'-P-C4' energy: -75.099 flat angles P-C4'-P energy: -54.674 tors. eta vs tors. theta energy: -70.093 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: 6 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -1123.761196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.761196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.761196 (E_RNA) where: Base-Base interactions energy: -721.468 where: short stacking energy: -324.061 Base-Backbone interact. energy: 2.966 local terms energy: -405.259824 where: bonds (distance) C4'-P energy: -86.478 bonds (distance) P-C4' energy: -98.125 flat angles C4'-P-C4' energy: -92.934 flat angles P-C4'-P energy: -63.730 tors. eta vs tors. theta energy: -63.994 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: 8 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1917.335143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.335143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.335143 (E_RNA) where: Base-Base interactions energy: -1342.639 where: short stacking energy: -554.636 Base-Backbone interact. energy: -1.170 local terms energy: -573.525493 where: bonds (distance) C4'-P energy: -97.201 bonds (distance) P-C4' energy: -116.392 flat angles C4'-P-C4' energy: -120.860 flat angles P-C4'-P energy: -84.355 tors. eta vs tors. theta energy: -154.718 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: 2, replica: 3 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1921.997108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.997108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.997108 (E_RNA) where: Base-Base interactions energy: -1349.096 where: short stacking energy: -554.589 Base-Backbone interact. energy: -1.073 local terms energy: -571.828613 where: bonds (distance) C4'-P energy: -102.218 bonds (distance) P-C4' energy: -114.799 flat angles C4'-P-C4' energy: -121.521 flat angles P-C4'-P energy: -81.661 tors. eta vs tors. theta energy: -151.629 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: 3, replica: 1 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1838.379631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.379631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.379631 (E_RNA) where: Base-Base interactions energy: -1298.488 where: short stacking energy: -534.447 Base-Backbone interact. energy: -0.449 local terms energy: -539.441978 where: bonds (distance) C4'-P energy: -94.660 bonds (distance) P-C4' energy: -102.951 flat angles C4'-P-C4' energy: -116.925 flat angles P-C4'-P energy: -73.521 tors. eta vs tors. theta energy: -151.385 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: 4, replica: 2 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1796.557621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.557621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.557621 (E_RNA) where: Base-Base interactions energy: -1261.913 where: short stacking energy: -505.765 Base-Backbone interact. energy: -1.189 local terms energy: -533.455688 where: bonds (distance) C4'-P energy: -99.813 bonds (distance) P-C4' energy: -103.566 flat angles C4'-P-C4' energy: -118.248 flat angles P-C4'-P energy: -70.049 tors. eta vs tors. theta energy: -141.780 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: 4 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1718.374610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.374610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.374610 (E_RNA) where: Base-Base interactions energy: -1204.847 where: short stacking energy: -484.442 Base-Backbone interact. energy: 0.596 local terms energy: -514.123557 where: bonds (distance) C4'-P energy: -95.524 bonds (distance) P-C4' energy: -100.716 flat angles C4'-P-C4' energy: -115.493 flat angles P-C4'-P energy: -71.981 tors. eta vs tors. theta energy: -130.409 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: 6, replica: 9 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1629.108188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.108188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.108188 (E_RNA) where: Base-Base interactions energy: -1138.703 where: short stacking energy: -492.489 Base-Backbone interact. energy: 3.324 local terms energy: -493.728370 where: bonds (distance) C4'-P energy: -87.676 bonds (distance) P-C4' energy: -101.941 flat angles C4'-P-C4' energy: -106.795 flat angles P-C4'-P energy: -59.761 tors. eta vs tors. theta energy: -137.556 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: 7, replica: 5 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1462.142662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.142662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.142662 (E_RNA) where: Base-Base interactions energy: -994.995 where: short stacking energy: -414.397 Base-Backbone interact. energy: 5.153 local terms energy: -472.300853 where: bonds (distance) C4'-P energy: -82.842 bonds (distance) P-C4' energy: -111.224 flat angles C4'-P-C4' energy: -101.712 flat angles P-C4'-P energy: -72.241 tors. eta vs tors. theta energy: -104.282 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: 10 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1244.867263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.867263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.867263 (E_RNA) where: Base-Base interactions energy: -845.636 where: short stacking energy: -369.038 Base-Backbone interact. energy: -1.073 local terms energy: -398.157657 where: bonds (distance) C4'-P energy: -82.370 bonds (distance) P-C4' energy: -85.527 flat angles C4'-P-C4' energy: -98.145 flat angles P-C4'-P energy: -62.237 tors. eta vs tors. theta energy: -69.880 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: 7 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1132.651157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.651157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.651157 (E_RNA) where: Base-Base interactions energy: -721.473 where: short stacking energy: -337.794 Base-Backbone interact. energy: 2.207 local terms energy: -413.385744 where: bonds (distance) C4'-P energy: -82.861 bonds (distance) P-C4' energy: -108.025 flat angles C4'-P-C4' energy: -87.067 flat angles P-C4'-P energy: -62.218 tors. eta vs tors. theta energy: -73.215 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: 6 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -1118.868718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.868718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.868718 (E_RNA) where: Base-Base interactions energy: -711.357 where: short stacking energy: -323.798 Base-Backbone interact. energy: -2.919 local terms energy: -404.592082 where: bonds (distance) C4'-P energy: -87.803 bonds (distance) P-C4' energy: -97.205 flat angles C4'-P-C4' energy: -95.137 flat angles P-C4'-P energy: -65.672 tors. eta vs tors. theta energy: -58.775 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: 1, replica: 8 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1926.413923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.413923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.413923 (E_RNA) where: Base-Base interactions energy: -1353.773 where: short stacking energy: -556.135 Base-Backbone interact. energy: 0.172 local terms energy: -572.813819 where: bonds (distance) C4'-P energy: -106.621 bonds (distance) P-C4' energy: -112.343 flat angles C4'-P-C4' energy: -119.086 flat angles P-C4'-P energy: -81.620 tors. eta vs tors. theta energy: -153.145 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: 3 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1910.423033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.423033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.423033 (E_RNA) where: Base-Base interactions energy: -1350.183 where: short stacking energy: -557.446 Base-Backbone interact. energy: 1.220 local terms energy: -561.460088 where: bonds (distance) C4'-P energy: -94.383 bonds (distance) P-C4' energy: -118.296 flat angles C4'-P-C4' energy: -121.700 flat angles P-C4'-P energy: -75.979 tors. eta vs tors. theta energy: -151.102 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: 3, replica: 1 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1846.995396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.995396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.995396 (E_RNA) where: Base-Base interactions energy: -1280.879 where: short stacking energy: -526.305 Base-Backbone interact. energy: -0.618 local terms energy: -565.498693 where: bonds (distance) C4'-P energy: -102.455 bonds (distance) P-C4' energy: -115.462 flat angles C4'-P-C4' energy: -110.982 flat angles P-C4'-P energy: -80.745 tors. eta vs tors. theta energy: -155.854 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: 4, replica: 2 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1792.396737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.396737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.396737 (E_RNA) where: Base-Base interactions energy: -1257.787 where: short stacking energy: -500.403 Base-Backbone interact. energy: -3.690 local terms energy: -530.919605 where: bonds (distance) C4'-P energy: -88.758 bonds (distance) P-C4' energy: -90.780 flat angles C4'-P-C4' energy: -116.507 flat angles P-C4'-P energy: -82.365 tors. eta vs tors. theta energy: -152.511 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: 5, replica: 4 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1714.328100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.328100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.328100 (E_RNA) where: Base-Base interactions energy: -1220.950 where: short stacking energy: -515.548 Base-Backbone interact. energy: 0.141 local terms energy: -493.519772 where: bonds (distance) C4'-P energy: -83.699 bonds (distance) P-C4' energy: -104.478 flat angles C4'-P-C4' energy: -91.229 flat angles P-C4'-P energy: -73.744 tors. eta vs tors. theta energy: -140.370 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: 9 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1647.626478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.626478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.626478 (E_RNA) where: Base-Base interactions energy: -1163.774 where: short stacking energy: -475.495 Base-Backbone interact. energy: 7.509 local terms energy: -491.361973 where: bonds (distance) C4'-P energy: -88.570 bonds (distance) P-C4' energy: -103.172 flat angles C4'-P-C4' energy: -108.791 flat angles P-C4'-P energy: -70.389 tors. eta vs tors. theta energy: -120.441 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: 7, replica: 5 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1466.841609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.841609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.841609 (E_RNA) where: Base-Base interactions energy: -996.280 where: short stacking energy: -411.552 Base-Backbone interact. energy: 1.016 local terms energy: -471.577855 where: bonds (distance) C4'-P energy: -101.325 bonds (distance) P-C4' energy: -109.330 flat angles C4'-P-C4' energy: -96.094 flat angles P-C4'-P energy: -61.158 tors. eta vs tors. theta energy: -103.671 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: 8, replica: 10 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1282.836735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.836735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.836735 (E_RNA) where: Base-Base interactions energy: -849.402 where: short stacking energy: -377.457 Base-Backbone interact. energy: -2.247 local terms energy: -431.187247 where: bonds (distance) C4'-P energy: -85.506 bonds (distance) P-C4' energy: -104.053 flat angles C4'-P-C4' energy: -96.380 flat angles P-C4'-P energy: -61.727 tors. eta vs tors. theta energy: -83.522 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: 6 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1143.811059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.811059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.811059 (E_RNA) where: Base-Base interactions energy: -722.415 where: short stacking energy: -347.448 Base-Backbone interact. energy: -0.437 local terms energy: -420.958877 where: bonds (distance) C4'-P energy: -82.060 bonds (distance) P-C4' energy: -102.229 flat angles C4'-P-C4' energy: -87.789 flat angles P-C4'-P energy: -70.803 tors. eta vs tors. theta energy: -78.078 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: 7 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -1076.635151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.635151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.635151 (E_RNA) where: Base-Base interactions energy: -706.350 where: short stacking energy: -325.010 Base-Backbone interact. energy: 1.062 local terms energy: -371.347094 where: bonds (distance) C4'-P energy: -72.080 bonds (distance) P-C4' energy: -91.182 flat angles C4'-P-C4' energy: -89.976 flat angles P-C4'-P energy: -57.840 tors. eta vs tors. theta energy: -60.268 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: 8 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1902.728693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.728693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.728693 (E_RNA) where: Base-Base interactions energy: -1314.712 where: short stacking energy: -537.442 Base-Backbone interact. energy: -1.317 local terms energy: -586.700144 where: bonds (distance) C4'-P energy: -104.889 bonds (distance) P-C4' energy: -117.539 flat angles C4'-P-C4' energy: -120.466 flat angles P-C4'-P energy: -86.343 tors. eta vs tors. theta energy: -157.464 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: 2, replica: 3 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1861.124172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.124172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.124172 (E_RNA) where: Base-Base interactions energy: -1309.740 where: short stacking energy: -533.147 Base-Backbone interact. energy: 5.105 local terms energy: -556.489251 where: bonds (distance) C4'-P energy: -87.552 bonds (distance) P-C4' energy: -111.989 flat angles C4'-P-C4' energy: -118.451 flat angles P-C4'-P energy: -88.059 tors. eta vs tors. theta energy: -150.438 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: 3, replica: 1 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1833.038647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.038647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.038647 (E_RNA) where: Base-Base interactions energy: -1279.015 where: short stacking energy: -521.949 Base-Backbone interact. energy: -1.249 local terms energy: -552.773781 where: bonds (distance) C4'-P energy: -95.887 bonds (distance) P-C4' energy: -115.503 flat angles C4'-P-C4' energy: -113.076 flat angles P-C4'-P energy: -81.046 tors. eta vs tors. theta energy: -147.261 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: 2 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1783.846390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.846390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.846390 (E_RNA) where: Base-Base interactions energy: -1265.778 where: short stacking energy: -531.389 Base-Backbone interact. energy: 3.414 local terms energy: -521.481985 where: bonds (distance) C4'-P energy: -80.864 bonds (distance) P-C4' energy: -112.514 flat angles C4'-P-C4' energy: -113.860 flat angles P-C4'-P energy: -64.167 tors. eta vs tors. theta energy: -150.078 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: 4 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1737.549050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.549050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.549050 (E_RNA) where: Base-Base interactions energy: -1238.665 where: short stacking energy: -512.997 Base-Backbone interact. energy: -0.344 local terms energy: -498.539744 where: bonds (distance) C4'-P energy: -91.702 bonds (distance) P-C4' energy: -96.062 flat angles C4'-P-C4' energy: -100.683 flat angles P-C4'-P energy: -67.089 tors. eta vs tors. theta energy: -143.004 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: 9 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1625.359330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.359330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.359330 (E_RNA) where: Base-Base interactions energy: -1130.139 where: short stacking energy: -468.893 Base-Backbone interact. energy: -1.233 local terms energy: -493.987200 where: bonds (distance) C4'-P energy: -99.851 bonds (distance) P-C4' energy: -105.074 flat angles C4'-P-C4' energy: -97.030 flat angles P-C4'-P energy: -69.196 tors. eta vs tors. theta energy: -122.836 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: 5 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1480.901716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.901716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.901716 (E_RNA) where: Base-Base interactions energy: -1013.456 where: short stacking energy: -425.131 Base-Backbone interact. energy: -1.523 local terms energy: -465.923225 where: bonds (distance) C4'-P energy: -95.552 bonds (distance) P-C4' energy: -99.014 flat angles C4'-P-C4' energy: -102.444 flat angles P-C4'-P energy: -58.698 tors. eta vs tors. theta energy: -110.215 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: 8, replica: 10 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1330.582658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.582658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.582658 (E_RNA) where: Base-Base interactions energy: -876.795 where: short stacking energy: -375.407 Base-Backbone interact. energy: -0.265 local terms energy: -453.521917 where: bonds (distance) C4'-P energy: -96.835 bonds (distance) P-C4' energy: -92.356 flat angles C4'-P-C4' energy: -92.429 flat angles P-C4'-P energy: -67.767 tors. eta vs tors. theta energy: -104.135 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: 9, replica: 6 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1112.263328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.263328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.263328 (E_RNA) where: Base-Base interactions energy: -713.219 where: short stacking energy: -319.015 Base-Backbone interact. energy: 1.372 local terms energy: -400.416226 where: bonds (distance) C4'-P energy: -81.180 bonds (distance) P-C4' energy: -106.260 flat angles C4'-P-C4' energy: -92.514 flat angles P-C4'-P energy: -59.279 tors. eta vs tors. theta energy: -61.183 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: 10, replica: 7 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -1091.169250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.169250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.169250 (E_RNA) where: Base-Base interactions energy: -693.128 where: short stacking energy: -303.538 Base-Backbone interact. energy: 4.110 local terms energy: -402.150680 where: bonds (distance) C4'-P energy: -98.098 bonds (distance) P-C4' energy: -108.423 flat angles C4'-P-C4' energy: -79.431 flat angles P-C4'-P energy: -60.591 tors. eta vs tors. theta energy: -55.607 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: 1, replica: 8 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1920.251749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.251749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.251749 (E_RNA) where: Base-Base interactions energy: -1349.726 where: short stacking energy: -551.278 Base-Backbone interact. energy: 0.668 local terms energy: -571.194158 where: bonds (distance) C4'-P energy: -101.106 bonds (distance) P-C4' energy: -113.944 flat angles C4'-P-C4' energy: -120.882 flat angles P-C4'-P energy: -85.287 tors. eta vs tors. theta energy: -149.975 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: 2, replica: 3 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1865.714583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.714583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.714583 (E_RNA) where: Base-Base interactions energy: -1303.921 where: short stacking energy: -538.012 Base-Backbone interact. energy: 1.823 local terms energy: -563.616150 where: bonds (distance) C4'-P energy: -102.657 bonds (distance) P-C4' energy: -110.855 flat angles C4'-P-C4' energy: -113.794 flat angles P-C4'-P energy: -80.833 tors. eta vs tors. theta energy: -155.478 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: 3, replica: 2 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1850.165787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.165787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.165787 (E_RNA) where: Base-Base interactions energy: -1287.367 where: short stacking energy: -531.816 Base-Backbone interact. energy: -1.448 local terms energy: -561.350576 where: bonds (distance) C4'-P energy: -101.787 bonds (distance) P-C4' energy: -103.116 flat angles C4'-P-C4' energy: -117.546 flat angles P-C4'-P energy: -83.676 tors. eta vs tors. theta energy: -155.224 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: 1 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1811.401878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.401878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.401878 (E_RNA) where: Base-Base interactions energy: -1295.746 where: short stacking energy: -520.989 Base-Backbone interact. energy: -1.483 local terms energy: -514.173528 where: bonds (distance) C4'-P energy: -84.743 bonds (distance) P-C4' energy: -115.444 flat angles C4'-P-C4' energy: -96.815 flat angles P-C4'-P energy: -70.331 tors. eta vs tors. theta energy: -146.841 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: 386 Temperature: 1.100000 Total energy: -1718.387833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.387833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.387833 (E_RNA) where: Base-Base interactions energy: -1200.660 where: short stacking energy: -493.908 Base-Backbone interact. energy: -1.886 local terms energy: -515.841629 where: bonds (distance) C4'-P energy: -89.788 bonds (distance) P-C4' energy: -119.406 flat angles C4'-P-C4' energy: -101.514 flat angles P-C4'-P energy: -68.573 tors. eta vs tors. theta energy: -136.561 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: 6, replica: 9 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1642.128317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.128317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.128317 (E_RNA) where: Base-Base interactions energy: -1157.175 where: short stacking energy: -490.624 Base-Backbone interact. energy: 2.342 local terms energy: -487.295803 where: bonds (distance) C4'-P energy: -91.671 bonds (distance) P-C4' energy: -100.822 flat angles C4'-P-C4' energy: -107.131 flat angles P-C4'-P energy: -61.424 tors. eta vs tors. theta energy: -126.247 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: 5 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1524.415693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.415693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.415693 (E_RNA) where: Base-Base interactions energy: -1036.654 where: short stacking energy: -456.004 Base-Backbone interact. energy: -1.285 local terms energy: -486.476424 where: bonds (distance) C4'-P energy: -91.486 bonds (distance) P-C4' energy: -95.732 flat angles C4'-P-C4' energy: -109.075 flat angles P-C4'-P energy: -66.535 tors. eta vs tors. theta energy: -123.647 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: 10 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1356.384821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.384821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.384821 (E_RNA) where: Base-Base interactions energy: -911.265 where: short stacking energy: -396.262 Base-Backbone interact. energy: 0.368 local terms energy: -445.488077 where: bonds (distance) C4'-P energy: -91.249 bonds (distance) P-C4' energy: -95.101 flat angles C4'-P-C4' energy: -92.739 flat angles P-C4'-P energy: -62.456 tors. eta vs tors. theta energy: -103.942 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: 386 Temperature: 1.300000 Total energy: -1175.653992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.653992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.653992 (E_RNA) where: Base-Base interactions energy: -750.501 where: short stacking energy: -341.825 Base-Backbone interact. energy: -0.130 local terms energy: -425.022378 where: bonds (distance) C4'-P energy: -91.534 bonds (distance) P-C4' energy: -103.754 flat angles C4'-P-C4' energy: -83.743 flat angles P-C4'-P energy: -61.162 tors. eta vs tors. theta energy: -84.830 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: 7 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -1116.988898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.988898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.988898 (E_RNA) where: Base-Base interactions energy: -709.796 where: short stacking energy: -310.659 Base-Backbone interact. energy: 4.400 local terms energy: -411.592335 where: bonds (distance) C4'-P energy: -81.129 bonds (distance) P-C4' energy: -105.687 flat angles C4'-P-C4' energy: -99.372 flat angles P-C4'-P energy: -67.740 tors. eta vs tors. theta energy: -57.664 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: 1, replica: 8 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1914.038840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.038840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.038840 (E_RNA) where: Base-Base interactions energy: -1333.623 where: short stacking energy: -539.807 Base-Backbone interact. energy: -0.635 local terms energy: -579.780473 where: bonds (distance) C4'-P energy: -101.277 bonds (distance) P-C4' energy: -120.951 flat angles C4'-P-C4' energy: -123.231 flat angles P-C4'-P energy: -77.117 tors. eta vs tors. theta energy: -157.205 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: 3 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1881.032500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.032500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.032500 (E_RNA) where: Base-Base interactions energy: -1326.462 where: short stacking energy: -533.446 Base-Backbone interact. energy: -0.325 local terms energy: -554.246382 where: bonds (distance) C4'-P energy: -94.616 bonds (distance) P-C4' energy: -116.377 flat angles C4'-P-C4' energy: -108.007 flat angles P-C4'-P energy: -86.700 tors. eta vs tors. theta energy: -148.546 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: 3, replica: 2 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1855.697081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.697081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.697081 (E_RNA) where: Base-Base interactions energy: -1307.183 where: short stacking energy: -554.901 Base-Backbone interact. energy: 0.059 local terms energy: -548.573923 where: bonds (distance) C4'-P energy: -94.641 bonds (distance) P-C4' energy: -113.061 flat angles C4'-P-C4' energy: -119.236 flat angles P-C4'-P energy: -70.648 tors. eta vs tors. theta energy: -150.988 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: 4 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1763.851348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.851348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.851348 (E_RNA) where: Base-Base interactions energy: -1221.439 where: short stacking energy: -519.853 Base-Backbone interact. energy: -2.208 local terms energy: -540.204875 where: bonds (distance) C4'-P energy: -96.038 bonds (distance) P-C4' energy: -103.046 flat angles C4'-P-C4' energy: -123.234 flat angles P-C4'-P energy: -66.410 tors. eta vs tors. theta energy: -151.477 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: 5, replica: 1 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1740.917431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.917431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.917431 (E_RNA) where: Base-Base interactions energy: -1238.781 where: short stacking energy: -482.342 Base-Backbone interact. energy: 2.625 local terms energy: -504.761745 where: bonds (distance) C4'-P energy: -86.014 bonds (distance) P-C4' energy: -106.016 flat angles C4'-P-C4' energy: -113.639 flat angles P-C4'-P energy: -69.479 tors. eta vs tors. theta energy: -129.614 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: 6, replica: 9 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1712.083447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.083447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.083447 (E_RNA) where: Base-Base interactions energy: -1184.557 where: short stacking energy: -497.604 Base-Backbone interact. energy: 3.311 local terms energy: -530.837339 where: bonds (distance) C4'-P energy: -106.822 bonds (distance) P-C4' energy: -114.665 flat angles C4'-P-C4' energy: -102.772 flat angles P-C4'-P energy: -78.574 tors. eta vs tors. theta energy: -128.005 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: 5 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1500.987796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.987796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.987796 (E_RNA) where: Base-Base interactions energy: -1044.705 where: short stacking energy: -417.230 Base-Backbone interact. energy: 3.383 local terms energy: -459.666210 where: bonds (distance) C4'-P energy: -81.982 bonds (distance) P-C4' energy: -106.480 flat angles C4'-P-C4' energy: -99.466 flat angles P-C4'-P energy: -60.717 tors. eta vs tors. theta energy: -111.022 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: 10 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1373.711522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.711522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.711522 (E_RNA) where: Base-Base interactions energy: -916.472 where: short stacking energy: -367.661 Base-Backbone interact. energy: 0.888 local terms energy: -458.127815 where: bonds (distance) C4'-P energy: -95.182 bonds (distance) P-C4' energy: -102.805 flat angles C4'-P-C4' energy: -89.379 flat angles P-C4'-P energy: -72.703 tors. eta vs tors. theta energy: -98.059 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: 387 Temperature: 1.300000 Total energy: -1129.406873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.406873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.406873 (E_RNA) where: Base-Base interactions energy: -718.807 where: short stacking energy: -324.980 Base-Backbone interact. energy: 1.193 local terms energy: -411.792420 where: bonds (distance) C4'-P energy: -80.827 bonds (distance) P-C4' energy: -97.490 flat angles C4'-P-C4' energy: -94.521 flat angles P-C4'-P energy: -61.072 tors. eta vs tors. theta energy: -77.883 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: 7 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -1114.374090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.374090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.374090 (E_RNA) where: Base-Base interactions energy: -720.897 where: short stacking energy: -322.060 Base-Backbone interact. energy: 3.615 local terms energy: -397.091745 where: bonds (distance) C4'-P energy: -90.154 bonds (distance) P-C4' energy: -100.176 flat angles C4'-P-C4' energy: -95.345 flat angles P-C4'-P energy: -52.512 tors. eta vs tors. theta energy: -58.906 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: 1, replica: 8 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1913.219062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.219062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.219062 (E_RNA) where: Base-Base interactions energy: -1339.088 where: short stacking energy: -540.649 Base-Backbone interact. energy: 0.847 local terms energy: -574.977746 where: bonds (distance) C4'-P energy: -103.097 bonds (distance) P-C4' energy: -106.420 flat angles C4'-P-C4' energy: -119.021 flat angles P-C4'-P energy: -90.442 tors. eta vs tors. theta energy: -155.997 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: 2, replica: 3 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1895.908400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.908400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.908400 (E_RNA) where: Base-Base interactions energy: -1321.335 where: short stacking energy: -536.802 Base-Backbone interact. energy: -2.898 local terms energy: -571.675383 where: bonds (distance) C4'-P energy: -104.021 bonds (distance) P-C4' energy: -113.613 flat angles C4'-P-C4' energy: -117.266 flat angles P-C4'-P energy: -82.059 tors. eta vs tors. theta energy: -154.717 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: 2 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1830.979868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.979868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.979868 (E_RNA) where: Base-Base interactions energy: -1289.486 where: short stacking energy: -525.103 Base-Backbone interact. energy: -1.078 local terms energy: -540.415800 where: bonds (distance) C4'-P energy: -80.904 bonds (distance) P-C4' energy: -119.296 flat angles C4'-P-C4' energy: -111.498 flat angles P-C4'-P energy: -77.099 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: 4, replica: 4 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1746.071934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.071934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.071934 (E_RNA) where: Base-Base interactions energy: -1232.223 where: short stacking energy: -515.194 Base-Backbone interact. energy: 2.189 local terms energy: -516.038701 where: bonds (distance) C4'-P energy: -94.611 bonds (distance) P-C4' energy: -104.837 flat angles C4'-P-C4' energy: -117.066 flat angles P-C4'-P energy: -59.261 tors. eta vs tors. theta energy: -140.263 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: 5, replica: 1 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1741.369200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.369200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.369200 (E_RNA) where: Base-Base interactions energy: -1219.233 where: short stacking energy: -483.824 Base-Backbone interact. energy: -2.321 local terms energy: -519.814718 where: bonds (distance) C4'-P energy: -99.148 bonds (distance) P-C4' energy: -92.657 flat angles C4'-P-C4' energy: -114.618 flat angles P-C4'-P energy: -77.759 tors. eta vs tors. theta energy: -135.632 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: 6, replica: 9 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1634.351146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.351146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.351146 (E_RNA) where: Base-Base interactions energy: -1142.399 where: short stacking energy: -469.558 Base-Backbone interact. energy: -0.294 local terms energy: -491.657428 where: bonds (distance) C4'-P energy: -85.736 bonds (distance) P-C4' energy: -101.034 flat angles C4'-P-C4' energy: -110.103 flat angles P-C4'-P energy: -73.152 tors. eta vs tors. theta energy: -121.633 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: 7, replica: 5 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1510.286187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.286187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.286187 (E_RNA) where: Base-Base interactions energy: -1021.992 where: short stacking energy: -420.173 Base-Backbone interact. energy: -2.172 local terms energy: -486.122996 where: bonds (distance) C4'-P energy: -88.035 bonds (distance) P-C4' energy: -110.121 flat angles C4'-P-C4' energy: -103.970 flat angles P-C4'-P energy: -65.824 tors. eta vs tors. theta energy: -118.173 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: 10 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1345.397597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.397597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.397597 (E_RNA) where: Base-Base interactions energy: -899.379 where: short stacking energy: -390.494 Base-Backbone interact. energy: 4.784 local terms energy: -450.802737 where: bonds (distance) C4'-P energy: -98.648 bonds (distance) P-C4' energy: -97.219 flat angles C4'-P-C4' energy: -93.406 flat angles P-C4'-P energy: -64.651 tors. eta vs tors. theta energy: -96.879 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: 9, replica: 6 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1149.822398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.822398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.822398 (E_RNA) where: Base-Base interactions energy: -751.405 where: short stacking energy: -344.985 Base-Backbone interact. energy: -0.269 local terms energy: -398.147995 where: bonds (distance) C4'-P energy: -82.606 bonds (distance) P-C4' energy: -87.083 flat angles C4'-P-C4' energy: -102.441 flat angles P-C4'-P energy: -55.792 tors. eta vs tors. theta energy: -70.226 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: 10, replica: 7 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -1134.596146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.596146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.596146 (E_RNA) where: Base-Base interactions energy: -745.976 where: short stacking energy: -325.629 Base-Backbone interact. energy: 4.937 local terms energy: -393.556874 where: bonds (distance) C4'-P energy: -73.374 bonds (distance) P-C4' energy: -96.973 flat angles C4'-P-C4' energy: -96.932 flat angles P-C4'-P energy: -68.776 tors. eta vs tors. theta energy: -57.501 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: 8 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1920.942057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.942057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.942057 (E_RNA) where: Base-Base interactions energy: -1346.091 where: short stacking energy: -547.102 Base-Backbone interact. energy: 2.008 local terms energy: -576.859618 where: bonds (distance) C4'-P energy: -108.546 bonds (distance) P-C4' energy: -110.790 flat angles C4'-P-C4' energy: -115.983 flat angles P-C4'-P energy: -83.336 tors. eta vs tors. theta energy: -158.205 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: 3 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1909.709900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.709900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.709900 (E_RNA) where: Base-Base interactions energy: -1342.358 where: short stacking energy: -552.877 Base-Backbone interact. energy: -1.815 local terms energy: -565.537389 where: bonds (distance) C4'-P energy: -104.084 bonds (distance) P-C4' energy: -106.993 flat angles C4'-P-C4' energy: -119.546 flat angles P-C4'-P energy: -79.120 tors. eta vs tors. theta energy: -155.794 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: 3, replica: 2 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1842.570153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.570153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.570153 (E_RNA) where: Base-Base interactions energy: -1296.482 where: short stacking energy: -525.742 Base-Backbone interact. energy: 0.610 local terms energy: -546.697923 where: bonds (distance) C4'-P energy: -99.246 bonds (distance) P-C4' energy: -98.575 flat angles C4'-P-C4' energy: -114.062 flat angles P-C4'-P energy: -83.588 tors. eta vs tors. theta energy: -151.228 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: 4, replica: 1 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1792.054638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.054638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.054638 (E_RNA) where: Base-Base interactions energy: -1252.040 where: short stacking energy: -538.189 Base-Backbone interact. energy: 4.170 local terms energy: -544.184799 where: bonds (distance) C4'-P energy: -97.408 bonds (distance) P-C4' energy: -115.809 flat angles C4'-P-C4' energy: -108.432 flat angles P-C4'-P energy: -76.359 tors. eta vs tors. theta energy: -146.178 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: 5, replica: 4 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1690.932975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.932975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.932975 (E_RNA) where: Base-Base interactions energy: -1194.074 where: short stacking energy: -484.849 Base-Backbone interact. energy: 2.704 local terms energy: -499.562077 where: bonds (distance) C4'-P energy: -89.431 bonds (distance) P-C4' energy: -106.506 flat angles C4'-P-C4' energy: -114.653 flat angles P-C4'-P energy: -65.667 tors. eta vs tors. theta energy: -123.306 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: 6, replica: 9 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1643.275295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.275295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.275295 (E_RNA) where: Base-Base interactions energy: -1137.834 where: short stacking energy: -458.207 Base-Backbone interact. energy: -0.321 local terms energy: -505.120274 where: bonds (distance) C4'-P energy: -84.038 bonds (distance) P-C4' energy: -108.092 flat angles C4'-P-C4' energy: -110.210 flat angles P-C4'-P energy: -78.205 tors. eta vs tors. theta energy: -124.576 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: 7, replica: 5 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1516.251113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.251113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.251113 (E_RNA) where: Base-Base interactions energy: -1042.949 where: short stacking energy: -444.599 Base-Backbone interact. energy: -0.168 local terms energy: -473.134305 where: bonds (distance) C4'-P energy: -88.000 bonds (distance) P-C4' energy: -100.444 flat angles C4'-P-C4' energy: -102.878 flat angles P-C4'-P energy: -72.283 tors. eta vs tors. theta energy: -109.530 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: 8, replica: 10 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1378.634581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.634581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.634581 (E_RNA) where: Base-Base interactions energy: -931.103 where: short stacking energy: -400.767 Base-Backbone interact. energy: -3.463 local terms energy: -444.068536 where: bonds (distance) C4'-P energy: -78.005 bonds (distance) P-C4' energy: -108.380 flat angles C4'-P-C4' energy: -103.351 flat angles P-C4'-P energy: -47.564 tors. eta vs tors. theta energy: -106.769 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: 6 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1127.157812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.157812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.157812 (E_RNA) where: Base-Base interactions energy: -716.141 where: short stacking energy: -326.738 Base-Backbone interact. energy: 0.631 local terms energy: -411.648560 where: bonds (distance) C4'-P energy: -90.649 bonds (distance) P-C4' energy: -103.636 flat angles C4'-P-C4' energy: -86.335 flat angles P-C4'-P energy: -60.600 tors. eta vs tors. theta energy: -70.429 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: 10, replica: 7 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -1118.536983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.536983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.536983 (E_RNA) where: Base-Base interactions energy: -735.840 where: short stacking energy: -336.562 Base-Backbone interact. energy: 0.608 local terms energy: -383.304310 where: bonds (distance) C4'-P energy: -65.773 bonds (distance) P-C4' energy: -103.066 flat angles C4'-P-C4' energy: -76.318 flat angles P-C4'-P energy: -63.144 tors. eta vs tors. theta energy: -75.004 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: 8 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1899.897904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.897904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.897904 (E_RNA) where: Base-Base interactions energy: -1321.757 where: short stacking energy: -549.267 Base-Backbone interact. energy: -1.728 local terms energy: -576.412295 where: bonds (distance) C4'-P energy: -113.812 bonds (distance) P-C4' energy: -111.872 flat angles C4'-P-C4' energy: -117.866 flat angles P-C4'-P energy: -79.070 tors. eta vs tors. theta energy: -153.792 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: 3 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1892.003295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.003295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.003295 (E_RNA) where: Base-Base interactions energy: -1318.390 where: short stacking energy: -541.662 Base-Backbone interact. energy: 0.469 local terms energy: -574.082336 where: bonds (distance) C4'-P energy: -106.381 bonds (distance) P-C4' energy: -114.358 flat angles C4'-P-C4' energy: -121.483 flat angles P-C4'-P energy: -80.271 tors. eta vs tors. theta energy: -151.589 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: 2 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1854.256823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.256823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.256823 (E_RNA) where: Base-Base interactions energy: -1329.069 where: short stacking energy: -549.839 Base-Backbone interact. energy: 2.783 local terms energy: -527.970891 where: bonds (distance) C4'-P energy: -89.373 bonds (distance) P-C4' energy: -103.442 flat angles C4'-P-C4' energy: -111.902 flat angles P-C4'-P energy: -66.623 tors. eta vs tors. theta energy: -156.631 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: 4, replica: 1 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1777.175580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.175580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.175580 (E_RNA) where: Base-Base interactions energy: -1244.460 where: short stacking energy: -487.123 Base-Backbone interact. energy: -0.529 local terms energy: -532.186119 where: bonds (distance) C4'-P energy: -93.285 bonds (distance) P-C4' energy: -105.587 flat angles C4'-P-C4' energy: -111.897 flat angles P-C4'-P energy: -78.116 tors. eta vs tors. theta energy: -143.301 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: 5, replica: 4 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1730.317539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.317539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.317539 (E_RNA) where: Base-Base interactions energy: -1241.720 where: short stacking energy: -504.110 Base-Backbone interact. energy: 1.048 local terms energy: -489.645808 where: bonds (distance) C4'-P energy: -83.167 bonds (distance) P-C4' energy: -98.190 flat angles C4'-P-C4' energy: -110.866 flat angles P-C4'-P energy: -67.315 tors. eta vs tors. theta energy: -130.107 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: 6, replica: 9 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1622.764997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.764997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.764997 (E_RNA) where: Base-Base interactions energy: -1133.639 where: short stacking energy: -470.436 Base-Backbone interact. energy: -1.409 local terms energy: -487.716540 where: bonds (distance) C4'-P energy: -78.381 bonds (distance) P-C4' energy: -108.989 flat angles C4'-P-C4' energy: -104.125 flat angles P-C4'-P energy: -65.274 tors. eta vs tors. theta energy: -130.949 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: 7, replica: 5 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1507.506327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.506327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.506327 (E_RNA) where: Base-Base interactions energy: -1037.085 where: short stacking energy: -434.734 Base-Backbone interact. energy: 3.575 local terms energy: -473.996300 where: bonds (distance) C4'-P energy: -96.687 bonds (distance) P-C4' energy: -100.997 flat angles C4'-P-C4' energy: -103.139 flat angles P-C4'-P energy: -60.355 tors. eta vs tors. theta energy: -112.819 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: 10 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1353.092426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.092426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.092426 (E_RNA) where: Base-Base interactions energy: -913.168 where: short stacking energy: -396.525 Base-Backbone interact. energy: -0.298 local terms energy: -439.626580 where: bonds (distance) C4'-P energy: -78.364 bonds (distance) P-C4' energy: -109.314 flat angles C4'-P-C4' energy: -94.653 flat angles P-C4'-P energy: -58.859 tors. eta vs tors. theta energy: -98.437 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: 9, replica: 7 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1139.186894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.186894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.186894 (E_RNA) where: Base-Base interactions energy: -765.801 where: short stacking energy: -336.686 Base-Backbone interact. energy: 0.365 local terms energy: -373.750248 where: bonds (distance) C4'-P energy: -83.492 bonds (distance) P-C4' energy: -84.972 flat angles C4'-P-C4' energy: -79.124 flat angles P-C4'-P energy: -62.982 tors. eta vs tors. theta energy: -63.181 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: 6 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -1103.088078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.088078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.088078 (E_RNA) where: Base-Base interactions energy: -717.800 where: short stacking energy: -327.302 Base-Backbone interact. energy: 3.173 local terms energy: -388.460756 where: bonds (distance) C4'-P energy: -73.484 bonds (distance) P-C4' energy: -86.996 flat angles C4'-P-C4' energy: -85.616 flat angles P-C4'-P energy: -68.119 tors. eta vs tors. theta energy: -74.246 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: 8 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1917.218831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.218831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.218831 (E_RNA) where: Base-Base interactions energy: -1361.946 where: short stacking energy: -557.234 Base-Backbone interact. energy: 2.394 local terms energy: -557.666601 where: bonds (distance) C4'-P energy: -91.493 bonds (distance) P-C4' energy: -115.461 flat angles C4'-P-C4' energy: -114.414 flat angles P-C4'-P energy: -76.799 tors. eta vs tors. theta energy: -159.500 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: 2 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1882.760736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.760736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.760736 (E_RNA) where: Base-Base interactions energy: -1313.951 where: short stacking energy: -523.904 Base-Backbone interact. energy: -2.719 local terms energy: -566.091108 where: bonds (distance) C4'-P energy: -98.676 bonds (distance) P-C4' energy: -113.216 flat angles C4'-P-C4' energy: -124.164 flat angles P-C4'-P energy: -78.505 tors. eta vs tors. theta energy: -151.529 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: 3, replica: 3 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1865.577066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.577066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.577066 (E_RNA) where: Base-Base interactions energy: -1303.609 where: short stacking energy: -533.948 Base-Backbone interact. energy: -0.407 local terms energy: -561.561943 where: bonds (distance) C4'-P energy: -94.781 bonds (distance) P-C4' energy: -114.288 flat angles C4'-P-C4' energy: -122.212 flat angles P-C4'-P energy: -78.681 tors. eta vs tors. theta energy: -151.600 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: 4, replica: 4 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1767.759166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.759166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.759166 (E_RNA) where: Base-Base interactions energy: -1229.073 where: short stacking energy: -514.023 Base-Backbone interact. energy: 3.109 local terms energy: -541.795476 where: bonds (distance) C4'-P energy: -105.385 bonds (distance) P-C4' energy: -107.596 flat angles C4'-P-C4' energy: -109.404 flat angles P-C4'-P energy: -74.832 tors. eta vs tors. theta energy: -144.578 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: 1 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1713.155313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.155313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.155313 (E_RNA) where: Base-Base interactions energy: -1188.354 where: short stacking energy: -489.530 Base-Backbone interact. energy: 2.718 local terms energy: -527.519336 where: bonds (distance) C4'-P energy: -103.075 bonds (distance) P-C4' energy: -122.527 flat angles C4'-P-C4' energy: -99.541 flat angles P-C4'-P energy: -62.425 tors. eta vs tors. theta energy: -139.952 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: 6, replica: 9 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1618.254480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.254480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.254480 (E_RNA) where: Base-Base interactions energy: -1133.810 where: short stacking energy: -461.816 Base-Backbone interact. energy: -0.954 local terms energy: -483.490802 where: bonds (distance) C4'-P energy: -99.485 bonds (distance) P-C4' energy: -92.280 flat angles C4'-P-C4' energy: -97.513 flat angles P-C4'-P energy: -63.754 tors. eta vs tors. theta energy: -130.459 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: 7, replica: 5 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1500.102921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.102921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.102921 (E_RNA) where: Base-Base interactions energy: -1024.937 where: short stacking energy: -438.003 Base-Backbone interact. energy: -1.409 local terms energy: -473.756674 where: bonds (distance) C4'-P energy: -91.649 bonds (distance) P-C4' energy: -108.616 flat angles C4'-P-C4' energy: -102.313 flat angles P-C4'-P energy: -67.885 tors. eta vs tors. theta energy: -103.293 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: 10 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1293.385517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.385517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.385517 (E_RNA) where: Base-Base interactions energy: -864.226 where: short stacking energy: -374.159 Base-Backbone interact. energy: 1.362 local terms energy: -430.520862 where: bonds (distance) C4'-P energy: -90.133 bonds (distance) P-C4' energy: -92.354 flat angles C4'-P-C4' energy: -94.168 flat angles P-C4'-P energy: -67.337 tors. eta vs tors. theta energy: -86.529 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: 9, replica: 7 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1117.538845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.538845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.538845 (E_RNA) where: Base-Base interactions energy: -718.485 where: short stacking energy: -332.766 Base-Backbone interact. energy: 1.804 local terms energy: -400.857512 where: bonds (distance) C4'-P energy: -85.287 bonds (distance) P-C4' energy: -100.515 flat angles C4'-P-C4' energy: -98.875 flat angles P-C4'-P energy: -56.532 tors. eta vs tors. theta energy: -59.648 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: 6 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -1103.272638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.272638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.272638 (E_RNA) where: Base-Base interactions energy: -701.828 where: short stacking energy: -331.496 Base-Backbone interact. energy: -0.057 local terms energy: -401.387546 where: bonds (distance) C4'-P energy: -80.047 bonds (distance) P-C4' energy: -104.995 flat angles C4'-P-C4' energy: -91.199 flat angles P-C4'-P energy: -61.894 tors. eta vs tors. theta energy: -63.253 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: 2 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1886.921898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.921898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.921898 (E_RNA) where: Base-Base interactions energy: -1330.652 where: short stacking energy: -533.795 Base-Backbone interact. energy: -1.335 local terms energy: -554.934977 where: bonds (distance) C4'-P energy: -105.130 bonds (distance) P-C4' energy: -108.082 flat angles C4'-P-C4' energy: -111.822 flat angles P-C4'-P energy: -75.748 tors. eta vs tors. theta energy: -154.152 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: 8 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1907.477277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.477277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.477277 (E_RNA) where: Base-Base interactions energy: -1338.323 where: short stacking energy: -548.955 Base-Backbone interact. energy: -0.194 local terms energy: -568.959783 where: bonds (distance) C4'-P energy: -104.696 bonds (distance) P-C4' energy: -116.323 flat angles C4'-P-C4' energy: -116.513 flat angles P-C4'-P energy: -79.700 tors. eta vs tors. theta energy: -151.728 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: 3, replica: 3 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1867.450029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.450029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.450029 (E_RNA) where: Base-Base interactions energy: -1324.482 where: short stacking energy: -546.896 Base-Backbone interact. energy: 0.123 local terms energy: -543.090942 where: bonds (distance) C4'-P energy: -94.492 bonds (distance) P-C4' energy: -100.301 flat angles C4'-P-C4' energy: -113.241 flat angles P-C4'-P energy: -85.105 tors. eta vs tors. theta energy: -149.952 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: 4 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1762.267746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.267746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.267746 (E_RNA) where: Base-Base interactions energy: -1222.510 where: short stacking energy: -501.963 Base-Backbone interact. energy: -2.234 local terms energy: -537.523723 where: bonds (distance) C4'-P energy: -99.249 bonds (distance) P-C4' energy: -107.531 flat angles C4'-P-C4' energy: -120.571 flat angles P-C4'-P energy: -77.637 tors. eta vs tors. theta energy: -132.536 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: 5, replica: 1 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1732.030555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.030555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.030555 (E_RNA) where: Base-Base interactions energy: -1217.040 where: short stacking energy: -488.935 Base-Backbone interact. energy: 0.349 local terms energy: -515.338869 where: bonds (distance) C4'-P energy: -89.608 bonds (distance) P-C4' energy: -111.944 flat angles C4'-P-C4' energy: -112.574 flat angles P-C4'-P energy: -71.103 tors. eta vs tors. theta energy: -130.109 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: 6, replica: 9 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1667.190037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.190037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.190037 (E_RNA) where: Base-Base interactions energy: -1177.540 where: short stacking energy: -494.042 Base-Backbone interact. energy: -2.022 local terms energy: -487.628808 where: bonds (distance) C4'-P energy: -84.092 bonds (distance) P-C4' energy: -97.550 flat angles C4'-P-C4' energy: -110.242 flat angles P-C4'-P energy: -63.648 tors. eta vs tors. theta energy: -132.097 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: 5 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1508.489403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.489403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.489403 (E_RNA) where: Base-Base interactions energy: -1045.081 where: short stacking energy: -456.730 Base-Backbone interact. energy: 0.945 local terms energy: -464.353084 where: bonds (distance) C4'-P energy: -79.912 bonds (distance) P-C4' energy: -101.951 flat angles C4'-P-C4' energy: -106.984 flat angles P-C4'-P energy: -59.988 tors. eta vs tors. theta energy: -115.518 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: 10 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1302.841773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.841773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.841773 (E_RNA) where: Base-Base interactions energy: -857.269 where: short stacking energy: -374.639 Base-Backbone interact. energy: 4.156 local terms energy: -449.728665 where: bonds (distance) C4'-P energy: -84.832 bonds (distance) P-C4' energy: -110.780 flat angles C4'-P-C4' energy: -92.594 flat angles P-C4'-P energy: -64.226 tors. eta vs tors. theta energy: -97.297 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: 9, replica: 6 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1144.495687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.495687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.495687 (E_RNA) where: Base-Base interactions energy: -752.478 where: short stacking energy: -328.197 Base-Backbone interact. energy: 0.560 local terms energy: -392.577956 where: bonds (distance) C4'-P energy: -76.485 bonds (distance) P-C4' energy: -101.512 flat angles C4'-P-C4' energy: -86.400 flat angles P-C4'-P energy: -56.431 tors. eta vs tors. theta energy: -71.750 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: 10, replica: 7 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -1107.748473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.748473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.748473 (E_RNA) where: Base-Base interactions energy: -739.432 where: short stacking energy: -332.072 Base-Backbone interact. energy: 4.645 local terms energy: -372.961874 where: bonds (distance) C4'-P energy: -77.303 bonds (distance) P-C4' energy: -93.592 flat angles C4'-P-C4' energy: -77.677 flat angles P-C4'-P energy: -59.682 tors. eta vs tors. theta energy: -64.707 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: 2 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1933.338494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.338494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.338494 (E_RNA) where: Base-Base interactions energy: -1353.146 where: short stacking energy: -560.077 Base-Backbone interact. energy: 0.703 local terms energy: -580.895912 where: bonds (distance) C4'-P energy: -105.035 bonds (distance) P-C4' energy: -109.714 flat angles C4'-P-C4' energy: -122.008 flat angles P-C4'-P energy: -82.216 tors. eta vs tors. theta energy: -161.922 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: 2, replica: 3 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1880.003625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.003625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.003625 (E_RNA) where: Base-Base interactions energy: -1310.102 where: short stacking energy: -535.355 Base-Backbone interact. energy: -1.344 local terms energy: -568.556823 where: bonds (distance) C4'-P energy: -99.863 bonds (distance) P-C4' energy: -116.501 flat angles C4'-P-C4' energy: -119.098 flat angles P-C4'-P energy: -84.270 tors. eta vs tors. theta energy: -148.825 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: 8 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1856.256124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.256124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.256124 (E_RNA) where: Base-Base interactions energy: -1328.620 where: short stacking energy: -543.855 Base-Backbone interact. energy: -1.963 local terms energy: -525.672843 where: bonds (distance) C4'-P energy: -95.859 bonds (distance) P-C4' energy: -88.936 flat angles C4'-P-C4' energy: -117.219 flat angles P-C4'-P energy: -74.963 tors. eta vs tors. theta energy: -148.696 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: 4, replica: 4 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1766.461509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.461509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.461509 (E_RNA) where: Base-Base interactions energy: -1230.439 where: short stacking energy: -514.582 Base-Backbone interact. energy: 1.352 local terms energy: -537.373853 where: bonds (distance) C4'-P energy: -91.571 bonds (distance) P-C4' energy: -107.973 flat angles C4'-P-C4' energy: -102.229 flat angles P-C4'-P energy: -83.421 tors. eta vs tors. theta energy: -152.179 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: 5, replica: 1 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1701.752180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.752180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.752180 (E_RNA) where: Base-Base interactions energy: -1192.990 where: short stacking energy: -477.541 Base-Backbone interact. energy: 6.262 local terms energy: -515.024032 where: bonds (distance) C4'-P energy: -85.811 bonds (distance) P-C4' energy: -113.133 flat angles C4'-P-C4' energy: -108.502 flat angles P-C4'-P energy: -72.308 tors. eta vs tors. theta energy: -135.270 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: 9 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1631.538604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.538604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.538604 (E_RNA) where: Base-Base interactions energy: -1146.961 where: short stacking energy: -470.435 Base-Backbone interact. energy: 3.402 local terms energy: -487.979400 where: bonds (distance) C4'-P energy: -77.112 bonds (distance) P-C4' energy: -108.702 flat angles C4'-P-C4' energy: -111.173 flat angles P-C4'-P energy: -68.502 tors. eta vs tors. theta energy: -122.492 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: 5 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1529.823666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.823666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.823666 (E_RNA) where: Base-Base interactions energy: -1044.687 where: short stacking energy: -425.604 Base-Backbone interact. energy: 4.048 local terms energy: -489.184141 where: bonds (distance) C4'-P energy: -101.272 bonds (distance) P-C4' energy: -100.048 flat angles C4'-P-C4' energy: -105.498 flat angles P-C4'-P energy: -63.713 tors. eta vs tors. theta energy: -118.653 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: 8, replica: 10 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1364.329508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.329508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.329508 (E_RNA) where: Base-Base interactions energy: -906.892 where: short stacking energy: -402.757 Base-Backbone interact. energy: 5.855 local terms energy: -463.293360 where: bonds (distance) C4'-P energy: -78.594 bonds (distance) P-C4' energy: -114.687 flat angles C4'-P-C4' energy: -90.462 flat angles P-C4'-P energy: -85.708 tors. eta vs tors. theta energy: -93.842 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: 393 Temperature: 1.300000 Total energy: -1120.716241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.716241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.716241 (E_RNA) where: Base-Base interactions energy: -708.062 where: short stacking energy: -311.297 Base-Backbone interact. energy: 0.409 local terms energy: -413.062945 where: bonds (distance) C4'-P energy: -81.691 bonds (distance) P-C4' energy: -110.745 flat angles C4'-P-C4' energy: -102.320 flat angles P-C4'-P energy: -59.418 tors. eta vs tors. theta energy: -58.888 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: 10, replica: 7 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -1100.912650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.912650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.912650 (E_RNA) where: Base-Base interactions energy: -707.498 where: short stacking energy: -312.225 Base-Backbone interact. energy: -0.828 local terms energy: -392.586234 where: bonds (distance) C4'-P energy: -70.553 bonds (distance) P-C4' energy: -113.988 flat angles C4'-P-C4' energy: -97.340 flat angles P-C4'-P energy: -59.115 tors. eta vs tors. theta energy: -51.590 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: 2 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1919.212751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.212751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.212751 (E_RNA) where: Base-Base interactions energy: -1355.328 where: short stacking energy: -567.644 Base-Backbone interact. energy: -2.346 local terms energy: -561.539094 where: bonds (distance) C4'-P energy: -100.327 bonds (distance) P-C4' energy: -104.867 flat angles C4'-P-C4' energy: -112.257 flat angles P-C4'-P energy: -76.301 tors. eta vs tors. theta energy: -167.787 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: 2, replica: 3 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1877.329333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.329333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.329333 (E_RNA) where: Base-Base interactions energy: -1343.034 where: short stacking energy: -551.943 Base-Backbone interact. energy: 0.508 local terms energy: -534.804268 where: bonds (distance) C4'-P energy: -82.735 bonds (distance) P-C4' energy: -110.934 flat angles C4'-P-C4' energy: -108.390 flat angles P-C4'-P energy: -82.768 tors. eta vs tors. theta energy: -149.978 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: 3, replica: 8 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1850.380248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.380248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.380248 (E_RNA) where: Base-Base interactions energy: -1300.218 where: short stacking energy: -517.912 Base-Backbone interact. energy: 1.113 local terms energy: -551.275202 where: bonds (distance) C4'-P energy: -105.493 bonds (distance) P-C4' energy: -110.348 flat angles C4'-P-C4' energy: -111.692 flat angles P-C4'-P energy: -78.932 tors. eta vs tors. theta energy: -144.811 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: 4, replica: 4 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1800.469757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.469757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.469757 (E_RNA) where: Base-Base interactions energy: -1244.526 where: short stacking energy: -522.986 Base-Backbone interact. energy: 0.999 local terms energy: -556.942490 where: bonds (distance) C4'-P energy: -100.687 bonds (distance) P-C4' energy: -107.072 flat angles C4'-P-C4' energy: -112.442 flat angles P-C4'-P energy: -85.091 tors. eta vs tors. theta energy: -151.650 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: 5, replica: 1 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1694.417797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.417797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.417797 (E_RNA) where: Base-Base interactions energy: -1188.516 where: short stacking energy: -504.148 Base-Backbone interact. energy: 1.160 local terms energy: -507.061954 where: bonds (distance) C4'-P energy: -81.937 bonds (distance) P-C4' energy: -90.684 flat angles C4'-P-C4' energy: -113.374 flat angles P-C4'-P energy: -80.498 tors. eta vs tors. theta energy: -140.569 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: 6, replica: 9 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1698.605644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.605644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.605644 (E_RNA) where: Base-Base interactions energy: -1200.086 where: short stacking energy: -507.828 Base-Backbone interact. energy: 5.528 local terms energy: -504.047445 where: bonds (distance) C4'-P energy: -89.898 bonds (distance) P-C4' energy: -102.801 flat angles C4'-P-C4' energy: -100.448 flat angles P-C4'-P energy: -72.605 tors. eta vs tors. theta energy: -138.294 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: 5 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1519.844587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.844587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.844587 (E_RNA) where: Base-Base interactions energy: -1022.772 where: short stacking energy: -444.152 Base-Backbone interact. energy: 0.708 local terms energy: -497.780763 where: bonds (distance) C4'-P energy: -79.718 bonds (distance) P-C4' energy: -107.001 flat angles C4'-P-C4' energy: -112.806 flat angles P-C4'-P energy: -73.324 tors. eta vs tors. theta energy: -124.932 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: 8, replica: 10 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1298.599552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.599552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.599552 (E_RNA) where: Base-Base interactions energy: -869.314 where: short stacking energy: -371.482 Base-Backbone interact. energy: 1.058 local terms energy: -430.343995 where: bonds (distance) C4'-P energy: -81.835 bonds (distance) P-C4' energy: -94.517 flat angles C4'-P-C4' energy: -100.795 flat angles P-C4'-P energy: -69.802 tors. eta vs tors. theta energy: -83.395 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: 7 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1183.264702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.264702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.264702 (E_RNA) where: Base-Base interactions energy: -779.334 where: short stacking energy: -343.100 Base-Backbone interact. energy: 1.103 local terms energy: -405.033556 where: bonds (distance) C4'-P energy: -86.482 bonds (distance) P-C4' energy: -83.525 flat angles C4'-P-C4' energy: -94.857 flat angles P-C4'-P energy: -69.298 tors. eta vs tors. theta energy: -70.872 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: 10, replica: 6 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -1093.422084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.422084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.422084 (E_RNA) where: Base-Base interactions energy: -705.379 where: short stacking energy: -313.926 Base-Backbone interact. energy: 0.861 local terms energy: -388.903841 where: bonds (distance) C4'-P energy: -78.274 bonds (distance) P-C4' energy: -98.647 flat angles C4'-P-C4' energy: -89.265 flat angles P-C4'-P energy: -57.736 tors. eta vs tors. theta energy: -64.982 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: 1, replica: 2 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1923.952048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.952048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.952048 (E_RNA) where: Base-Base interactions energy: -1350.359 where: short stacking energy: -556.782 Base-Backbone interact. energy: -3.075 local terms energy: -570.517797 where: bonds (distance) C4'-P energy: -95.870 bonds (distance) P-C4' energy: -115.144 flat angles C4'-P-C4' energy: -119.076 flat angles P-C4'-P energy: -87.629 tors. eta vs tors. theta energy: -152.800 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: 2, replica: 3 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1884.810554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.810554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.810554 (E_RNA) where: Base-Base interactions energy: -1329.474 where: short stacking energy: -537.523 Base-Backbone interact. energy: -0.259 local terms energy: -555.077533 where: bonds (distance) C4'-P energy: -101.289 bonds (distance) P-C4' energy: -103.956 flat angles C4'-P-C4' energy: -117.028 flat angles P-C4'-P energy: -83.296 tors. eta vs tors. theta energy: -149.508 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: 3, replica: 8 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1839.203157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.203157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.203157 (E_RNA) where: Base-Base interactions energy: -1285.341 where: short stacking energy: -534.210 Base-Backbone interact. energy: 0.108 local terms energy: -553.970701 where: bonds (distance) C4'-P energy: -96.353 bonds (distance) P-C4' energy: -115.665 flat angles C4'-P-C4' energy: -112.914 flat angles P-C4'-P energy: -78.486 tors. eta vs tors. theta energy: -150.553 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: 4, replica: 4 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1801.317816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.317816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.317816 (E_RNA) where: Base-Base interactions energy: -1257.540 where: short stacking energy: -525.460 Base-Backbone interact. energy: -0.082 local terms energy: -543.695858 where: bonds (distance) C4'-P energy: -92.668 bonds (distance) P-C4' energy: -103.158 flat angles C4'-P-C4' energy: -123.404 flat angles P-C4'-P energy: -75.227 tors. eta vs tors. theta energy: -149.239 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: 5, replica: 1 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1725.534242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.534242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.534242 (E_RNA) where: Base-Base interactions energy: -1229.819 where: short stacking energy: -492.422 Base-Backbone interact. energy: 2.071 local terms energy: -497.785493 where: bonds (distance) C4'-P energy: -78.878 bonds (distance) P-C4' energy: -105.658 flat angles C4'-P-C4' energy: -98.622 flat angles P-C4'-P energy: -74.163 tors. eta vs tors. theta energy: -140.465 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: 6, replica: 9 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1645.551779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.551779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.551779 (E_RNA) where: Base-Base interactions energy: -1166.006 where: short stacking energy: -471.918 Base-Backbone interact. energy: -1.625 local terms energy: -477.920714 where: bonds (distance) C4'-P energy: -82.887 bonds (distance) P-C4' energy: -92.676 flat angles C4'-P-C4' energy: -108.297 flat angles P-C4'-P energy: -68.347 tors. eta vs tors. theta energy: -125.714 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: 5 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1505.795605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.795605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.795605 (E_RNA) where: Base-Base interactions energy: -1019.029 where: short stacking energy: -423.035 Base-Backbone interact. energy: -1.570 local terms energy: -485.196272 where: bonds (distance) C4'-P energy: -90.230 bonds (distance) P-C4' energy: -104.123 flat angles C4'-P-C4' energy: -114.522 flat angles P-C4'-P energy: -62.741 tors. eta vs tors. theta energy: -113.580 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: 7 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1215.314637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.314637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.314637 (E_RNA) where: Base-Base interactions energy: -801.567 where: short stacking energy: -351.094 Base-Backbone interact. energy: -0.344 local terms energy: -413.403081 where: bonds (distance) C4'-P energy: -80.264 bonds (distance) P-C4' energy: -110.867 flat angles C4'-P-C4' energy: -91.784 flat angles P-C4'-P energy: -62.269 tors. eta vs tors. theta energy: -68.218 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: 9, replica: 10 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1274.188881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.188881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.188881 (E_RNA) where: Base-Base interactions energy: -838.158 where: short stacking energy: -376.461 Base-Backbone interact. energy: 2.857 local terms energy: -438.887940 where: bonds (distance) C4'-P energy: -89.594 bonds (distance) P-C4' energy: -103.805 flat angles C4'-P-C4' energy: -93.495 flat angles P-C4'-P energy: -61.099 tors. eta vs tors. theta energy: -90.894 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: 6 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -1091.989735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.989735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.989735 (E_RNA) where: Base-Base interactions energy: -724.304 where: short stacking energy: -311.102 Base-Backbone interact. energy: 1.507 local terms energy: -369.192252 where: bonds (distance) C4'-P energy: -74.447 bonds (distance) P-C4' energy: -102.533 flat angles C4'-P-C4' energy: -91.677 flat angles P-C4'-P energy: -46.494 tors. eta vs tors. theta energy: -54.042 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: 2 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1920.566002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.566002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.566002 (E_RNA) where: Base-Base interactions energy: -1331.303 where: short stacking energy: -548.728 Base-Backbone interact. energy: -1.367 local terms energy: -587.895636 where: bonds (distance) C4'-P energy: -95.896 bonds (distance) P-C4' energy: -116.287 flat angles C4'-P-C4' energy: -124.614 flat angles P-C4'-P energy: -88.558 tors. eta vs tors. theta energy: -162.540 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: 3 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1897.776735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.776735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.776735 (E_RNA) where: Base-Base interactions energy: -1325.788 where: short stacking energy: -546.187 Base-Backbone interact. energy: -1.308 local terms energy: -570.679941 where: bonds (distance) C4'-P energy: -100.659 bonds (distance) P-C4' energy: -117.501 flat angles C4'-P-C4' energy: -122.387 flat angles P-C4'-P energy: -73.069 tors. eta vs tors. theta energy: -157.065 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: 8 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1854.637941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.637941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.637941 (E_RNA) where: Base-Base interactions energy: -1303.439 where: short stacking energy: -530.808 Base-Backbone interact. energy: 3.164 local terms energy: -554.362348 where: bonds (distance) C4'-P energy: -94.210 bonds (distance) P-C4' energy: -114.519 flat angles C4'-P-C4' energy: -115.580 flat angles P-C4'-P energy: -75.570 tors. eta vs tors. theta energy: -154.483 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: 396 Temperature: 1.050000 Total energy: -1776.570309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.570309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.570309 (E_RNA) where: Base-Base interactions energy: -1252.040 where: short stacking energy: -529.779 Base-Backbone interact. energy: -1.851 local terms energy: -522.679113 where: bonds (distance) C4'-P energy: -90.094 bonds (distance) P-C4' energy: -99.685 flat angles C4'-P-C4' energy: -103.387 flat angles P-C4'-P energy: -79.670 tors. eta vs tors. theta energy: -149.843 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: 5, replica: 1 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1735.985875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.985875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.985875 (E_RNA) where: Base-Base interactions energy: -1216.497 where: short stacking energy: -499.335 Base-Backbone interact. energy: 3.348 local terms energy: -522.836062 where: bonds (distance) C4'-P energy: -93.912 bonds (distance) P-C4' energy: -93.098 flat angles C4'-P-C4' energy: -116.794 flat angles P-C4'-P energy: -75.897 tors. eta vs tors. theta energy: -143.135 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: 9 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1667.913078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.913078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.913078 (E_RNA) where: Base-Base interactions energy: -1175.535 where: short stacking energy: -479.828 Base-Backbone interact. energy: -0.447 local terms energy: -491.931175 where: bonds (distance) C4'-P energy: -85.851 bonds (distance) P-C4' energy: -102.068 flat angles C4'-P-C4' energy: -107.715 flat angles P-C4'-P energy: -73.290 tors. eta vs tors. theta energy: -123.006 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: 7, replica: 5 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1501.321116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.321116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.321116 (E_RNA) where: Base-Base interactions energy: -1027.050 where: short stacking energy: -428.767 Base-Backbone interact. energy: -1.730 local terms energy: -472.541494 where: bonds (distance) C4'-P energy: -87.194 bonds (distance) P-C4' energy: -100.965 flat angles C4'-P-C4' energy: -101.379 flat angles P-C4'-P energy: -63.717 tors. eta vs tors. theta energy: -119.286 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: 7 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1238.679840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.679840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.679840 (E_RNA) where: Base-Base interactions energy: -809.275 where: short stacking energy: -368.920 Base-Backbone interact. energy: -1.433 local terms energy: -427.971911 where: bonds (distance) C4'-P energy: -96.471 bonds (distance) P-C4' energy: -111.357 flat angles C4'-P-C4' energy: -87.103 flat angles P-C4'-P energy: -51.314 tors. eta vs tors. theta energy: -81.727 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: 9, replica: 10 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1293.336707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.336707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.336707 (E_RNA) where: Base-Base interactions energy: -881.878 where: short stacking energy: -394.524 Base-Backbone interact. energy: 1.025 local terms energy: -412.483913 where: bonds (distance) C4'-P energy: -87.075 bonds (distance) P-C4' energy: -89.048 flat angles C4'-P-C4' energy: -86.072 flat angles P-C4'-P energy: -66.387 tors. eta vs tors. theta energy: -83.901 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: 396 Temperature: 1.350000 Total energy: -1105.101746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.101746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.101746 (E_RNA) where: Base-Base interactions energy: -714.901 where: short stacking energy: -308.198 Base-Backbone interact. energy: 6.897 local terms energy: -397.097482 where: bonds (distance) C4'-P energy: -83.293 bonds (distance) P-C4' energy: -104.584 flat angles C4'-P-C4' energy: -85.292 flat angles P-C4'-P energy: -66.125 tors. eta vs tors. theta energy: -57.803 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: 1, replica: 2 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1934.772784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.772784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.772784 (E_RNA) where: Base-Base interactions energy: -1349.093 where: short stacking energy: -570.269 Base-Backbone interact. energy: -0.914 local terms energy: -584.765362 where: bonds (distance) C4'-P energy: -103.681 bonds (distance) P-C4' energy: -118.262 flat angles C4'-P-C4' energy: -117.924 flat angles P-C4'-P energy: -78.201 tors. eta vs tors. theta energy: -166.697 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: 3 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1898.226004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.226004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.226004 (E_RNA) where: Base-Base interactions energy: -1352.095 where: short stacking energy: -545.680 Base-Backbone interact. energy: -0.881 local terms energy: -545.250678 where: bonds (distance) C4'-P energy: -84.759 bonds (distance) P-C4' energy: -118.792 flat angles C4'-P-C4' energy: -114.580 flat angles P-C4'-P energy: -73.105 tors. eta vs tors. theta energy: -154.015 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: 3, replica: 8 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1830.307955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.307955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.307955 (E_RNA) where: Base-Base interactions energy: -1288.070 where: short stacking energy: -535.497 Base-Backbone interact. energy: -0.434 local terms energy: -541.803422 where: bonds (distance) C4'-P energy: -99.181 bonds (distance) P-C4' energy: -109.262 flat angles C4'-P-C4' energy: -111.487 flat angles P-C4'-P energy: -75.706 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: 4, replica: 4 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1779.175864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.175864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.175864 (E_RNA) where: Base-Base interactions energy: -1246.404 where: short stacking energy: -530.364 Base-Backbone interact. energy: 2.396 local terms energy: -535.168051 where: bonds (distance) C4'-P energy: -93.924 bonds (distance) P-C4' energy: -111.023 flat angles C4'-P-C4' energy: -107.773 flat angles P-C4'-P energy: -75.915 tors. eta vs tors. theta energy: -146.533 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: 5, replica: 1 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1732.495618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.495618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.495618 (E_RNA) where: Base-Base interactions energy: -1221.009 where: short stacking energy: -518.087 Base-Backbone interact. energy: -1.639 local terms energy: -509.847930 where: bonds (distance) C4'-P energy: -81.356 bonds (distance) P-C4' energy: -96.691 flat angles C4'-P-C4' energy: -114.833 flat angles P-C4'-P energy: -72.003 tors. eta vs tors. theta energy: -144.965 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: 9 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1713.925071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.925071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.925071 (E_RNA) where: Base-Base interactions energy: -1180.994 where: short stacking energy: -492.492 Base-Backbone interact. energy: -0.954 local terms energy: -531.977153 where: bonds (distance) C4'-P energy: -100.050 bonds (distance) P-C4' energy: -106.611 flat angles C4'-P-C4' energy: -107.975 flat angles P-C4'-P energy: -75.746 tors. eta vs tors. theta energy: -141.595 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: 5 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1467.552457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.552457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.552457 (E_RNA) where: Base-Base interactions energy: -1003.751 where: short stacking energy: -428.213 Base-Backbone interact. energy: 4.475 local terms energy: -468.276439 where: bonds (distance) C4'-P energy: -82.772 bonds (distance) P-C4' energy: -112.785 flat angles C4'-P-C4' energy: -94.082 flat angles P-C4'-P energy: -71.294 tors. eta vs tors. theta energy: -107.344 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: 10 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1306.051125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.051125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.051125 (E_RNA) where: Base-Base interactions energy: -880.509 where: short stacking energy: -377.760 Base-Backbone interact. energy: 1.134 local terms energy: -426.675586 where: bonds (distance) C4'-P energy: -85.159 bonds (distance) P-C4' energy: -96.499 flat angles C4'-P-C4' energy: -90.515 flat angles P-C4'-P energy: -67.659 tors. eta vs tors. theta energy: -86.843 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: 9, replica: 7 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1179.726614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.726614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.726614 (E_RNA) where: Base-Base interactions energy: -767.616 where: short stacking energy: -332.858 Base-Backbone interact. energy: -0.175 local terms energy: -411.935489 where: bonds (distance) C4'-P energy: -88.262 bonds (distance) P-C4' energy: -102.634 flat angles C4'-P-C4' energy: -98.402 flat angles P-C4'-P energy: -62.914 tors. eta vs tors. theta energy: -59.724 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: 10, replica: 6 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -1089.204127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.204127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.204127 (E_RNA) where: Base-Base interactions energy: -702.796 where: short stacking energy: -308.341 Base-Backbone interact. energy: 3.467 local terms energy: -389.875319 where: bonds (distance) C4'-P energy: -83.892 bonds (distance) P-C4' energy: -90.484 flat angles C4'-P-C4' energy: -98.861 flat angles P-C4'-P energy: -53.972 tors. eta vs tors. theta energy: -62.667 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: 3 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1916.487353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.487353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.487353 (E_RNA) where: Base-Base interactions energy: -1357.684 where: short stacking energy: -548.571 Base-Backbone interact. energy: -1.217 local terms energy: -557.586268 where: bonds (distance) C4'-P energy: -104.788 bonds (distance) P-C4' energy: -103.106 flat angles C4'-P-C4' energy: -115.845 flat angles P-C4'-P energy: -77.397 tors. eta vs tors. theta energy: -156.449 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: 2 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1888.073717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.073717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.073717 (E_RNA) where: Base-Base interactions energy: -1320.887 where: short stacking energy: -553.092 Base-Backbone interact. energy: 2.796 local terms energy: -569.983182 where: bonds (distance) C4'-P energy: -107.090 bonds (distance) P-C4' energy: -107.752 flat angles C4'-P-C4' energy: -121.563 flat angles P-C4'-P energy: -76.629 tors. eta vs tors. theta energy: -156.949 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: 3, replica: 4 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1814.401593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.401593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.401593 (E_RNA) where: Base-Base interactions energy: -1259.281 where: short stacking energy: -525.100 Base-Backbone interact. energy: -0.942 local terms energy: -554.179118 where: bonds (distance) C4'-P energy: -97.299 bonds (distance) P-C4' energy: -109.532 flat angles C4'-P-C4' energy: -123.943 flat angles P-C4'-P energy: -75.556 tors. eta vs tors. theta energy: -147.850 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: 4, replica: 8 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1821.005155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.005155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.005155 (E_RNA) where: Base-Base interactions energy: -1270.004 where: short stacking energy: -519.625 Base-Backbone interact. energy: -1.761 local terms energy: -549.240302 where: bonds (distance) C4'-P energy: -101.013 bonds (distance) P-C4' energy: -106.093 flat angles C4'-P-C4' energy: -111.644 flat angles P-C4'-P energy: -84.463 tors. eta vs tors. theta energy: -146.028 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: 5, replica: 1 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1728.161192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.161192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.161192 (E_RNA) where: Base-Base interactions energy: -1206.304 where: short stacking energy: -475.861 Base-Backbone interact. energy: 0.179 local terms energy: -522.036424 where: bonds (distance) C4'-P energy: -95.648 bonds (distance) P-C4' energy: -111.353 flat angles C4'-P-C4' energy: -105.521 flat angles P-C4'-P energy: -72.052 tors. eta vs tors. theta energy: -137.462 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: 6, replica: 9 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1662.931453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.931453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.931453 (E_RNA) where: Base-Base interactions energy: -1160.535 where: short stacking energy: -463.077 Base-Backbone interact. energy: -0.962 local terms energy: -501.433894 where: bonds (distance) C4'-P energy: -89.464 bonds (distance) P-C4' energy: -109.109 flat angles C4'-P-C4' energy: -108.523 flat angles P-C4'-P energy: -68.778 tors. eta vs tors. theta energy: -125.560 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: 7, replica: 5 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1482.236075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.236075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.236075 (E_RNA) where: Base-Base interactions energy: -988.339 where: short stacking energy: -431.940 Base-Backbone interact. energy: 0.848 local terms energy: -494.744933 where: bonds (distance) C4'-P energy: -94.319 bonds (distance) P-C4' energy: -110.504 flat angles C4'-P-C4' energy: -110.980 flat angles P-C4'-P energy: -59.482 tors. eta vs tors. theta energy: -119.460 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: 10 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1345.647390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.647390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.647390 (E_RNA) where: Base-Base interactions energy: -878.344 where: short stacking energy: -398.806 Base-Backbone interact. energy: 3.057 local terms energy: -470.360342 where: bonds (distance) C4'-P energy: -108.562 bonds (distance) P-C4' energy: -111.758 flat angles C4'-P-C4' energy: -89.758 flat angles P-C4'-P energy: -60.965 tors. eta vs tors. theta energy: -99.317 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: 7 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1168.585365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.585365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.585365 (E_RNA) where: Base-Base interactions energy: -750.784 where: short stacking energy: -335.366 Base-Backbone interact. energy: -1.296 local terms energy: -416.505915 where: bonds (distance) C4'-P energy: -86.365 bonds (distance) P-C4' energy: -100.485 flat angles C4'-P-C4' energy: -104.803 flat angles P-C4'-P energy: -52.335 tors. eta vs tors. theta energy: -72.518 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: 10, replica: 6 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -1089.860389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.860389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.860389 (E_RNA) where: Base-Base interactions energy: -700.672 where: short stacking energy: -330.277 Base-Backbone interact. energy: -1.421 local terms energy: -387.766968 where: bonds (distance) C4'-P energy: -70.349 bonds (distance) P-C4' energy: -91.949 flat angles C4'-P-C4' energy: -91.924 flat angles P-C4'-P energy: -63.227 tors. eta vs tors. theta energy: -70.317 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: 3 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1907.691951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.691951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.691951 (E_RNA) where: Base-Base interactions energy: -1330.712 where: short stacking energy: -537.472 Base-Backbone interact. energy: -1.844 local terms energy: -575.136597 where: bonds (distance) C4'-P energy: -111.249 bonds (distance) P-C4' energy: -111.437 flat angles C4'-P-C4' energy: -113.088 flat angles P-C4'-P energy: -82.136 tors. eta vs tors. theta energy: -157.227 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: 2 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1882.907010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.907010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.907010 (E_RNA) where: Base-Base interactions energy: -1317.319 where: short stacking energy: -542.742 Base-Backbone interact. energy: 1.360 local terms energy: -566.948163 where: bonds (distance) C4'-P energy: -96.797 bonds (distance) P-C4' energy: -115.799 flat angles C4'-P-C4' energy: -117.465 flat angles P-C4'-P energy: -81.390 tors. eta vs tors. theta energy: -155.497 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: 4 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1805.578938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.578938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.578938 (E_RNA) where: Base-Base interactions energy: -1257.205 where: short stacking energy: -514.761 Base-Backbone interact. energy: -2.483 local terms energy: -545.891076 where: bonds (distance) C4'-P energy: -94.193 bonds (distance) P-C4' energy: -116.333 flat angles C4'-P-C4' energy: -108.729 flat angles P-C4'-P energy: -85.183 tors. eta vs tors. theta energy: -141.452 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: 4, replica: 8 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1810.846781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.846781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.846781 (E_RNA) where: Base-Base interactions energy: -1252.998 where: short stacking energy: -512.199 Base-Backbone interact. energy: 0.881 local terms energy: -558.729237 where: bonds (distance) C4'-P energy: -92.413 bonds (distance) P-C4' energy: -111.331 flat angles C4'-P-C4' energy: -119.951 flat angles P-C4'-P energy: -88.586 tors. eta vs tors. theta energy: -146.448 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: 1 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1749.097156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.097156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.097156 (E_RNA) where: Base-Base interactions energy: -1210.420 where: short stacking energy: -488.067 Base-Backbone interact. energy: -1.122 local terms energy: -537.554824 where: bonds (distance) C4'-P energy: -95.420 bonds (distance) P-C4' energy: -104.917 flat angles C4'-P-C4' energy: -119.598 flat angles P-C4'-P energy: -74.391 tors. eta vs tors. theta energy: -143.228 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: 6, replica: 9 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1677.342501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.342501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.342501 (E_RNA) where: Base-Base interactions energy: -1193.773 where: short stacking energy: -498.909 Base-Backbone interact. energy: -0.060 local terms energy: -483.509888 where: bonds (distance) C4'-P energy: -87.521 bonds (distance) P-C4' energy: -99.139 flat angles C4'-P-C4' energy: -92.494 flat angles P-C4'-P energy: -73.250 tors. eta vs tors. theta energy: -131.106 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: 7, replica: 5 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1490.024551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.024551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.024551 (E_RNA) where: Base-Base interactions energy: -1016.239 where: short stacking energy: -426.355 Base-Backbone interact. energy: 1.308 local terms energy: -475.093335 where: bonds (distance) C4'-P energy: -85.697 bonds (distance) P-C4' energy: -103.945 flat angles C4'-P-C4' energy: -105.343 flat angles P-C4'-P energy: -69.394 tors. eta vs tors. theta energy: -110.715 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: 8, replica: 10 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1331.533049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.533049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.533049 (E_RNA) where: Base-Base interactions energy: -893.331 where: short stacking energy: -389.481 Base-Backbone interact. energy: 0.988 local terms energy: -439.189439 where: bonds (distance) C4'-P energy: -88.641 bonds (distance) P-C4' energy: -97.722 flat angles C4'-P-C4' energy: -105.555 flat angles P-C4'-P energy: -54.654 tors. eta vs tors. theta energy: -92.618 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: 9, replica: 7 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1170.061381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.061381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.061381 (E_RNA) where: Base-Base interactions energy: -755.870 where: short stacking energy: -333.963 Base-Backbone interact. energy: 0.917 local terms energy: -415.109160 where: bonds (distance) C4'-P energy: -92.614 bonds (distance) P-C4' energy: -103.259 flat angles C4'-P-C4' energy: -95.976 flat angles P-C4'-P energy: -60.229 tors. eta vs tors. theta energy: -63.031 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: 10, replica: 6 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -1102.449742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.449742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.449742 (E_RNA) where: Base-Base interactions energy: -709.579 where: short stacking energy: -318.238 Base-Backbone interact. energy: -0.882 local terms energy: -391.988589 where: bonds (distance) C4'-P energy: -87.031 bonds (distance) P-C4' energy: -96.055 flat angles C4'-P-C4' energy: -89.294 flat angles P-C4'-P energy: -59.905 tors. eta vs tors. theta energy: -59.704 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: 3 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1904.947481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.947481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.947481 (E_RNA) where: Base-Base interactions energy: -1346.616 where: short stacking energy: -567.346 Base-Backbone interact. energy: 0.598 local terms energy: -558.929688 where: bonds (distance) C4'-P energy: -94.709 bonds (distance) P-C4' energy: -108.929 flat angles C4'-P-C4' energy: -119.878 flat angles P-C4'-P energy: -74.881 tors. eta vs tors. theta energy: -160.533 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: 2, replica: 2 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1871.834159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.834159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.834159 (E_RNA) where: Base-Base interactions energy: -1312.130 where: short stacking energy: -536.455 Base-Backbone interact. energy: -0.334 local terms energy: -559.369741 where: bonds (distance) C4'-P energy: -105.268 bonds (distance) P-C4' energy: -111.521 flat angles C4'-P-C4' energy: -108.659 flat angles P-C4'-P energy: -74.882 tors. eta vs tors. theta energy: -159.039 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: 8 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1869.588774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.588774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.588774 (E_RNA) where: Base-Base interactions energy: -1335.497 where: short stacking energy: -548.288 Base-Backbone interact. energy: -0.484 local terms energy: -533.607607 where: bonds (distance) C4'-P energy: -89.344 bonds (distance) P-C4' energy: -111.780 flat angles C4'-P-C4' energy: -109.814 flat angles P-C4'-P energy: -63.559 tors. eta vs tors. theta energy: -159.110 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: 4, replica: 4 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1761.136040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.136040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.136040 (E_RNA) where: Base-Base interactions energy: -1238.735 where: short stacking energy: -507.590 Base-Backbone interact. energy: 0.696 local terms energy: -523.097309 where: bonds (distance) C4'-P energy: -88.100 bonds (distance) P-C4' energy: -104.195 flat angles C4'-P-C4' energy: -108.250 flat angles P-C4'-P energy: -75.422 tors. eta vs tors. theta energy: -147.130 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: 5, replica: 1 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1765.425847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.425847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.425847 (E_RNA) where: Base-Base interactions energy: -1239.776 where: short stacking energy: -509.167 Base-Backbone interact. energy: 0.475 local terms energy: -526.124676 where: bonds (distance) C4'-P energy: -87.753 bonds (distance) P-C4' energy: -103.307 flat angles C4'-P-C4' energy: -116.332 flat angles P-C4'-P energy: -75.623 tors. eta vs tors. theta energy: -143.109 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: 6, replica: 9 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1658.074474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.074474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.074474 (E_RNA) where: Base-Base interactions energy: -1161.350 where: short stacking energy: -494.291 Base-Backbone interact. energy: 3.475 local terms energy: -500.199804 where: bonds (distance) C4'-P energy: -98.190 bonds (distance) P-C4' energy: -95.188 flat angles C4'-P-C4' energy: -106.562 flat angles P-C4'-P energy: -63.840 tors. eta vs tors. theta energy: -136.419 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: 5 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1484.211456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.211456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.211456 (E_RNA) where: Base-Base interactions energy: -1016.198 where: short stacking energy: -424.512 Base-Backbone interact. energy: 0.250 local terms energy: -468.263468 where: bonds (distance) C4'-P energy: -93.639 bonds (distance) P-C4' energy: -97.803 flat angles C4'-P-C4' energy: -91.232 flat angles P-C4'-P energy: -69.457 tors. eta vs tors. theta energy: -116.133 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: 8, replica: 10 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1346.623806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.623806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.623806 (E_RNA) where: Base-Base interactions energy: -893.507 where: short stacking energy: -396.251 Base-Backbone interact. energy: -0.203 local terms energy: -452.913543 where: bonds (distance) C4'-P energy: -81.785 bonds (distance) P-C4' energy: -98.656 flat angles C4'-P-C4' energy: -102.281 flat angles P-C4'-P energy: -74.827 tors. eta vs tors. theta energy: -95.365 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: 9, replica: 7 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1192.196696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.196696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.196696 (E_RNA) where: Base-Base interactions energy: -774.070 where: short stacking energy: -352.841 Base-Backbone interact. energy: -0.014 local terms energy: -418.112236 where: bonds (distance) C4'-P energy: -81.299 bonds (distance) P-C4' energy: -101.950 flat angles C4'-P-C4' energy: -100.527 flat angles P-C4'-P energy: -60.557 tors. eta vs tors. theta energy: -73.778 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: 10, replica: 6 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -1115.428178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.428178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.428178 (E_RNA) where: Base-Base interactions energy: -709.507 where: short stacking energy: -330.295 Base-Backbone interact. energy: -1.196 local terms energy: -404.725766 where: bonds (distance) C4'-P energy: -82.874 bonds (distance) P-C4' energy: -101.445 flat angles C4'-P-C4' energy: -95.895 flat angles P-C4'-P energy: -62.879 tors. eta vs tors. theta energy: -61.633 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: 3 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1925.256305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.256305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.256305 (E_RNA) where: Base-Base interactions energy: -1348.210 where: short stacking energy: -545.141 Base-Backbone interact. energy: 0.468 local terms energy: -577.514120 where: bonds (distance) C4'-P energy: -105.537 bonds (distance) P-C4' energy: -110.213 flat angles C4'-P-C4' energy: -120.447 flat angles P-C4'-P energy: -81.892 tors. eta vs tors. theta energy: -159.426 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: 2, replica: 2 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1894.642211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.642211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.642211 (E_RNA) where: Base-Base interactions energy: -1333.301 where: short stacking energy: -558.145 Base-Backbone interact. energy: -0.424 local terms energy: -560.916676 where: bonds (distance) C4'-P energy: -90.095 bonds (distance) P-C4' energy: -112.762 flat angles C4'-P-C4' energy: -116.016 flat angles P-C4'-P energy: -79.954 tors. eta vs tors. theta energy: -162.091 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: 3, replica: 8 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1880.648258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.648258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.648258 (E_RNA) where: Base-Base interactions energy: -1316.955 where: short stacking energy: -529.580 Base-Backbone interact. energy: -2.011 local terms energy: -561.682000 where: bonds (distance) C4'-P energy: -104.796 bonds (distance) P-C4' energy: -106.303 flat angles C4'-P-C4' energy: -114.693 flat angles P-C4'-P energy: -81.622 tors. eta vs tors. theta energy: -154.268 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: 4, replica: 4 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1758.808683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.808683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.808683 (E_RNA) where: Base-Base interactions energy: -1222.618 where: short stacking energy: -507.768 Base-Backbone interact. energy: 2.331 local terms energy: -538.521907 where: bonds (distance) C4'-P energy: -86.391 bonds (distance) P-C4' energy: -118.102 flat angles C4'-P-C4' energy: -116.522 flat angles P-C4'-P energy: -76.414 tors. eta vs tors. theta energy: -141.093 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: 5, replica: 1 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1730.637621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.637621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.637621 (E_RNA) where: Base-Base interactions energy: -1204.095 where: short stacking energy: -520.983 Base-Backbone interact. energy: -0.696 local terms energy: -525.846188 where: bonds (distance) C4'-P energy: -91.425 bonds (distance) P-C4' energy: -103.093 flat angles C4'-P-C4' energy: -109.015 flat angles P-C4'-P energy: -77.586 tors. eta vs tors. theta energy: -144.727 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: 6, replica: 9 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1677.484749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.484749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.484749 (E_RNA) where: Base-Base interactions energy: -1187.455 where: short stacking energy: -482.836 Base-Backbone interact. energy: 2.485 local terms energy: -492.514168 where: bonds (distance) C4'-P energy: -100.364 bonds (distance) P-C4' energy: -98.305 flat angles C4'-P-C4' energy: -95.039 flat angles P-C4'-P energy: -71.103 tors. eta vs tors. theta energy: -127.704 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: 5 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1521.633179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.633179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.633179 (E_RNA) where: Base-Base interactions energy: -1045.925 where: short stacking energy: -449.742 Base-Backbone interact. energy: 2.800 local terms energy: -478.507566 where: bonds (distance) C4'-P energy: -83.870 bonds (distance) P-C4' energy: -110.523 flat angles C4'-P-C4' energy: -102.228 flat angles P-C4'-P energy: -63.855 tors. eta vs tors. theta energy: -118.031 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: 10 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1307.687816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.687816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.687816 (E_RNA) where: Base-Base interactions energy: -876.510 where: short stacking energy: -385.196 Base-Backbone interact. energy: 0.212 local terms energy: -431.389998 where: bonds (distance) C4'-P energy: -85.386 bonds (distance) P-C4' energy: -102.193 flat angles C4'-P-C4' energy: -81.472 flat angles P-C4'-P energy: -68.651 tors. eta vs tors. theta energy: -93.688 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: 7 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1210.802221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.802221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.802221 (E_RNA) where: Base-Base interactions energy: -787.352 where: short stacking energy: -353.482 Base-Backbone interact. energy: 4.930 local terms energy: -428.380698 where: bonds (distance) C4'-P energy: -94.442 bonds (distance) P-C4' energy: -87.146 flat angles C4'-P-C4' energy: -102.236 flat angles P-C4'-P energy: -72.380 tors. eta vs tors. theta energy: -72.177 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: 401 Temperature: 1.350000 Total energy: -1118.364302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.364302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.364302 (E_RNA) where: Base-Base interactions energy: -741.529 where: short stacking energy: -349.928 Base-Backbone interact. energy: -1.453 local terms energy: -375.382510 where: bonds (distance) C4'-P energy: -91.065 bonds (distance) P-C4' energy: -78.032 flat angles C4'-P-C4' energy: -80.561 flat angles P-C4'-P energy: -52.489 tors. eta vs tors. theta energy: -73.236 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: 2 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1923.849683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.849683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.849683 (E_RNA) where: Base-Base interactions energy: -1351.139 where: short stacking energy: -564.720 Base-Backbone interact. energy: 2.138 local terms energy: -574.847749 where: bonds (distance) C4'-P energy: -108.352 bonds (distance) P-C4' energy: -111.207 flat angles C4'-P-C4' energy: -117.298 flat angles P-C4'-P energy: -72.915 tors. eta vs tors. theta energy: -165.076 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: 2, replica: 3 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1890.200089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.200089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.200089 (E_RNA) where: Base-Base interactions energy: -1334.593 where: short stacking energy: -546.375 Base-Backbone interact. energy: 4.557 local terms energy: -560.163115 where: bonds (distance) C4'-P energy: -100.794 bonds (distance) P-C4' energy: -93.876 flat angles C4'-P-C4' energy: -124.019 flat angles P-C4'-P energy: -84.167 tors. eta vs tors. theta energy: -157.306 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: 8 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1872.065599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.065599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.065599 (E_RNA) where: Base-Base interactions energy: -1310.300 where: short stacking energy: -543.108 Base-Backbone interact. energy: 0.892 local terms energy: -562.658043 where: bonds (distance) C4'-P energy: -109.579 bonds (distance) P-C4' energy: -111.695 flat angles C4'-P-C4' energy: -113.819 flat angles P-C4'-P energy: -73.103 tors. eta vs tors. theta energy: -154.463 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: 4 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1771.417526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.417526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.417526 (E_RNA) where: Base-Base interactions energy: -1239.970 where: short stacking energy: -500.039 Base-Backbone interact. energy: -1.060 local terms energy: -530.388360 where: bonds (distance) C4'-P energy: -92.718 bonds (distance) P-C4' energy: -112.116 flat angles C4'-P-C4' energy: -117.830 flat angles P-C4'-P energy: -69.572 tors. eta vs tors. theta energy: -138.152 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: 5, replica: 1 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1728.146163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.146163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.146163 (E_RNA) where: Base-Base interactions energy: -1204.257 where: short stacking energy: -493.950 Base-Backbone interact. energy: 1.624 local terms energy: -525.513341 where: bonds (distance) C4'-P energy: -89.866 bonds (distance) P-C4' energy: -107.011 flat angles C4'-P-C4' energy: -113.390 flat angles P-C4'-P energy: -77.097 tors. eta vs tors. theta energy: -138.149 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: 6, replica: 9 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1680.903168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.903168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.903168 (E_RNA) where: Base-Base interactions energy: -1182.906 where: short stacking energy: -483.169 Base-Backbone interact. energy: 0.737 local terms energy: -498.734460 where: bonds (distance) C4'-P energy: -96.890 bonds (distance) P-C4' energy: -95.346 flat angles C4'-P-C4' energy: -108.943 flat angles P-C4'-P energy: -65.801 tors. eta vs tors. theta energy: -131.755 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: 7, replica: 5 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1495.080547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.080547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.080547 (E_RNA) where: Base-Base interactions energy: -1030.032 where: short stacking energy: -429.727 Base-Backbone interact. energy: 1.493 local terms energy: -466.541717 where: bonds (distance) C4'-P energy: -86.982 bonds (distance) P-C4' energy: -101.848 flat angles C4'-P-C4' energy: -98.754 flat angles P-C4'-P energy: -60.029 tors. eta vs tors. theta energy: -118.929 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: 8, replica: 10 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1300.544093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.544093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.544093 (E_RNA) where: Base-Base interactions energy: -858.201 where: short stacking energy: -349.098 Base-Backbone interact. energy: 6.763 local terms energy: -449.106308 where: bonds (distance) C4'-P energy: -89.730 bonds (distance) P-C4' energy: -97.847 flat angles C4'-P-C4' energy: -112.225 flat angles P-C4'-P energy: -69.071 tors. eta vs tors. theta energy: -80.233 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: 9, replica: 7 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1223.247951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.247951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.247951 (E_RNA) where: Base-Base interactions energy: -798.078 where: short stacking energy: -371.054 Base-Backbone interact. energy: -0.923 local terms energy: -424.247741 where: bonds (distance) C4'-P energy: -99.234 bonds (distance) P-C4' energy: -92.747 flat angles C4'-P-C4' energy: -92.298 flat angles P-C4'-P energy: -67.853 tors. eta vs tors. theta energy: -72.116 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: 6 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -1097.241867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.241867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.241867 (E_RNA) where: Base-Base interactions energy: -698.920 where: short stacking energy: -304.372 Base-Backbone interact. energy: 0.879 local terms energy: -399.201324 where: bonds (distance) C4'-P energy: -90.125 bonds (distance) P-C4' energy: -93.982 flat angles C4'-P-C4' energy: -93.960 flat angles P-C4'-P energy: -64.741 tors. eta vs tors. theta energy: -56.394 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: 2 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1927.004110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.004110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.004110 (E_RNA) where: Base-Base interactions energy: -1350.568 where: short stacking energy: -559.426 Base-Backbone interact. energy: 0.322 local terms energy: -576.757834 where: bonds (distance) C4'-P energy: -99.111 bonds (distance) P-C4' energy: -107.319 flat angles C4'-P-C4' energy: -122.327 flat angles P-C4'-P energy: -88.412 tors. eta vs tors. theta energy: -159.589 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: 2, replica: 3 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1902.924531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.924531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.924531 (E_RNA) where: Base-Base interactions energy: -1344.438 where: short stacking energy: -542.766 Base-Backbone interact. energy: -1.891 local terms energy: -556.596060 where: bonds (distance) C4'-P energy: -97.958 bonds (distance) P-C4' energy: -115.623 flat angles C4'-P-C4' energy: -107.107 flat angles P-C4'-P energy: -82.435 tors. eta vs tors. theta energy: -153.472 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: 3, replica: 8 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1849.873733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.873733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.873733 (E_RNA) where: Base-Base interactions energy: -1309.079 where: short stacking energy: -531.576 Base-Backbone interact. energy: -0.067 local terms energy: -540.727963 where: bonds (distance) C4'-P energy: -89.803 bonds (distance) P-C4' energy: -100.226 flat angles C4'-P-C4' energy: -113.577 flat angles P-C4'-P energy: -80.418 tors. eta vs tors. theta energy: -156.705 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: 4, replica: 4 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1781.727213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.727213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.727213 (E_RNA) where: Base-Base interactions energy: -1254.353 where: short stacking energy: -501.778 Base-Backbone interact. energy: -0.050 local terms energy: -527.323466 where: bonds (distance) C4'-P energy: -102.750 bonds (distance) P-C4' energy: -104.874 flat angles C4'-P-C4' energy: -109.781 flat angles P-C4'-P energy: -69.551 tors. eta vs tors. theta energy: -140.368 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: 1 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1747.197670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.197670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.197670 (E_RNA) where: Base-Base interactions energy: -1213.874 where: short stacking energy: -502.786 Base-Backbone interact. energy: -1.514 local terms energy: -531.809703 where: bonds (distance) C4'-P energy: -101.470 bonds (distance) P-C4' energy: -104.799 flat angles C4'-P-C4' energy: -110.087 flat angles P-C4'-P energy: -70.310 tors. eta vs tors. theta energy: -145.143 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: 6, replica: 9 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1647.983473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.983473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.983473 (E_RNA) where: Base-Base interactions energy: -1137.818 where: short stacking energy: -468.761 Base-Backbone interact. energy: 2.701 local terms energy: -512.865746 where: bonds (distance) C4'-P energy: -87.534 bonds (distance) P-C4' energy: -114.753 flat angles C4'-P-C4' energy: -104.136 flat angles P-C4'-P energy: -76.210 tors. eta vs tors. theta energy: -130.231 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: 7, replica: 5 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1492.281672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.281672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.281672 (E_RNA) where: Base-Base interactions energy: -1027.200 where: short stacking energy: -439.237 Base-Backbone interact. energy: 3.861 local terms energy: -468.942826 where: bonds (distance) C4'-P energy: -89.017 bonds (distance) P-C4' energy: -103.758 flat angles C4'-P-C4' energy: -99.427 flat angles P-C4'-P energy: -67.210 tors. eta vs tors. theta energy: -109.530 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: 8, replica: 10 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1322.537797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.537797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.537797 (E_RNA) where: Base-Base interactions energy: -895.215 where: short stacking energy: -373.303 Base-Backbone interact. energy: 4.049 local terms energy: -431.371383 where: bonds (distance) C4'-P energy: -80.599 bonds (distance) P-C4' energy: -105.785 flat angles C4'-P-C4' energy: -99.654 flat angles P-C4'-P energy: -66.832 tors. eta vs tors. theta energy: -78.501 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: 7 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1194.624814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.624814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.624814 (E_RNA) where: Base-Base interactions energy: -797.844 where: short stacking energy: -348.929 Base-Backbone interact. energy: 2.397 local terms energy: -399.177607 where: bonds (distance) C4'-P energy: -85.178 bonds (distance) P-C4' energy: -101.599 flat angles C4'-P-C4' energy: -91.332 flat angles P-C4'-P energy: -47.969 tors. eta vs tors. theta energy: -73.099 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: 10, replica: 6 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -1118.005225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.005225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.005225 (E_RNA) where: Base-Base interactions energy: -732.424 where: short stacking energy: -338.377 Base-Backbone interact. energy: 0.154 local terms energy: -385.735238 where: bonds (distance) C4'-P energy: -72.582 bonds (distance) P-C4' energy: -102.563 flat angles C4'-P-C4' energy: -83.751 flat angles P-C4'-P energy: -44.766 tors. eta vs tors. theta energy: -82.073 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: 1, replica: 2 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1924.529928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.529928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.529928 (E_RNA) where: Base-Base interactions energy: -1344.147 where: short stacking energy: -567.592 Base-Backbone interact. energy: 0.105 local terms energy: -580.487511 where: bonds (distance) C4'-P energy: -97.794 bonds (distance) P-C4' energy: -115.461 flat angles C4'-P-C4' energy: -115.248 flat angles P-C4'-P energy: -89.147 tors. eta vs tors. theta energy: -162.838 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: 2, replica: 3 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1878.846079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.846079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.846079 (E_RNA) where: Base-Base interactions energy: -1325.429 where: short stacking energy: -551.029 Base-Backbone interact. energy: -2.981 local terms energy: -550.436517 where: bonds (distance) C4'-P energy: -88.868 bonds (distance) P-C4' energy: -101.216 flat angles C4'-P-C4' energy: -120.865 flat angles P-C4'-P energy: -81.822 tors. eta vs tors. theta energy: -157.666 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: 8 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1855.587659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.587659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.587659 (E_RNA) where: Base-Base interactions energy: -1295.632 where: short stacking energy: -539.088 Base-Backbone interact. energy: 0.239 local terms energy: -560.194582 where: bonds (distance) C4'-P energy: -99.414 bonds (distance) P-C4' energy: -120.356 flat angles C4'-P-C4' energy: -108.832 flat angles P-C4'-P energy: -75.387 tors. eta vs tors. theta energy: -156.205 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: 4 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1778.639824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.639824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.639824 (E_RNA) where: Base-Base interactions energy: -1236.582 where: short stacking energy: -521.365 Base-Backbone interact. energy: 1.521 local terms energy: -543.578367 where: bonds (distance) C4'-P energy: -98.086 bonds (distance) P-C4' energy: -102.831 flat angles C4'-P-C4' energy: -115.981 flat angles P-C4'-P energy: -76.511 tors. eta vs tors. theta energy: -150.170 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: 1 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1714.026289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.026289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.026289 (E_RNA) where: Base-Base interactions energy: -1205.325 where: short stacking energy: -503.991 Base-Backbone interact. energy: 1.854 local terms energy: -510.555826 where: bonds (distance) C4'-P energy: -77.347 bonds (distance) P-C4' energy: -115.260 flat angles C4'-P-C4' energy: -100.498 flat angles P-C4'-P energy: -84.058 tors. eta vs tors. theta energy: -133.393 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: 6, replica: 9 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1670.429856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.429856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.429856 (E_RNA) where: Base-Base interactions energy: -1179.061 where: short stacking energy: -468.414 Base-Backbone interact. energy: 2.950 local terms energy: -494.318651 where: bonds (distance) C4'-P energy: -86.795 bonds (distance) P-C4' energy: -113.158 flat angles C4'-P-C4' energy: -113.851 flat angles P-C4'-P energy: -56.742 tors. eta vs tors. theta energy: -123.773 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: 7, replica: 5 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1500.040411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.040411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.040411 (E_RNA) where: Base-Base interactions energy: -1015.765 where: short stacking energy: -425.268 Base-Backbone interact. energy: 1.218 local terms energy: -485.493527 where: bonds (distance) C4'-P energy: -91.139 bonds (distance) P-C4' energy: -107.970 flat angles C4'-P-C4' energy: -105.425 flat angles P-C4'-P energy: -78.166 tors. eta vs tors. theta energy: -102.793 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: 8, replica: 10 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1282.382354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.382354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.382354 (E_RNA) where: Base-Base interactions energy: -828.965 where: short stacking energy: -353.094 Base-Backbone interact. energy: 1.325 local terms energy: -454.742190 where: bonds (distance) C4'-P energy: -96.588 bonds (distance) P-C4' energy: -105.051 flat angles C4'-P-C4' energy: -93.936 flat angles P-C4'-P energy: -79.237 tors. eta vs tors. theta energy: -79.929 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: 404 Temperature: 1.300000 Total energy: -1128.673609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.673609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.673609 (E_RNA) where: Base-Base interactions energy: -724.540 where: short stacking energy: -342.944 Base-Backbone interact. energy: -0.308 local terms energy: -403.826345 where: bonds (distance) C4'-P energy: -77.942 bonds (distance) P-C4' energy: -87.695 flat angles C4'-P-C4' energy: -98.011 flat angles P-C4'-P energy: -64.402 tors. eta vs tors. theta energy: -75.776 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: 7 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -1100.172887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.172887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.172887 (E_RNA) where: Base-Base interactions energy: -696.246 where: short stacking energy: -294.507 Base-Backbone interact. energy: 1.890 local terms energy: -405.816443 where: bonds (distance) C4'-P energy: -93.548 bonds (distance) P-C4' energy: -105.666 flat angles C4'-P-C4' energy: -86.623 flat angles P-C4'-P energy: -61.438 tors. eta vs tors. theta energy: -58.541 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: 1, replica: 2 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1922.462993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.462993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.462993 (E_RNA) where: Base-Base interactions energy: -1334.116 where: short stacking energy: -564.862 Base-Backbone interact. energy: -3.445 local terms energy: -584.902475 where: bonds (distance) C4'-P energy: -112.664 bonds (distance) P-C4' energy: -111.544 flat angles C4'-P-C4' energy: -119.403 flat angles P-C4'-P energy: -83.001 tors. eta vs tors. theta energy: -158.291 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: 8 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1883.909315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.909315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.909315 (E_RNA) where: Base-Base interactions energy: -1316.592 where: short stacking energy: -548.613 Base-Backbone interact. energy: -2.136 local terms energy: -565.181296 where: bonds (distance) C4'-P energy: -94.822 bonds (distance) P-C4' energy: -108.875 flat angles C4'-P-C4' energy: -118.095 flat angles P-C4'-P energy: -86.815 tors. eta vs tors. theta energy: -156.575 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: 3 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1871.909646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.909646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.909646 (E_RNA) where: Base-Base interactions energy: -1318.790 where: short stacking energy: -544.220 Base-Backbone interact. energy: 3.890 local terms energy: -557.009521 where: bonds (distance) C4'-P energy: -109.786 bonds (distance) P-C4' energy: -105.255 flat angles C4'-P-C4' energy: -115.207 flat angles P-C4'-P energy: -72.473 tors. eta vs tors. theta energy: -154.288 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: 1 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1737.851670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.851670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.851670 (E_RNA) where: Base-Base interactions energy: -1210.538 where: short stacking energy: -504.668 Base-Backbone interact. energy: -1.897 local terms energy: -525.416405 where: bonds (distance) C4'-P energy: -81.954 bonds (distance) P-C4' energy: -107.584 flat angles C4'-P-C4' energy: -116.407 flat angles P-C4'-P energy: -78.769 tors. eta vs tors. theta energy: -140.703 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: 4 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1720.265005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.265005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.265005 (E_RNA) where: Base-Base interactions energy: -1194.054 where: short stacking energy: -503.535 Base-Backbone interact. energy: -0.755 local terms energy: -525.455413 where: bonds (distance) C4'-P energy: -94.285 bonds (distance) P-C4' energy: -114.307 flat angles C4'-P-C4' energy: -104.046 flat angles P-C4'-P energy: -72.807 tors. eta vs tors. theta energy: -140.010 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: 6, replica: 9 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1669.770281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.770281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.770281 (E_RNA) where: Base-Base interactions energy: -1173.643 where: short stacking energy: -473.718 Base-Backbone interact. energy: 4.195 local terms energy: -500.322106 where: bonds (distance) C4'-P energy: -94.310 bonds (distance) P-C4' energy: -91.969 flat angles C4'-P-C4' energy: -113.425 flat angles P-C4'-P energy: -72.017 tors. eta vs tors. theta energy: -128.601 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: 7, replica: 5 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1485.070786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.070786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.070786 (E_RNA) where: Base-Base interactions energy: -1019.187 where: short stacking energy: -424.926 Base-Backbone interact. energy: 1.925 local terms energy: -467.808415 where: bonds (distance) C4'-P energy: -86.515 bonds (distance) P-C4' energy: -91.761 flat angles C4'-P-C4' energy: -108.105 flat angles P-C4'-P energy: -72.391 tors. eta vs tors. theta energy: -109.036 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: 8, replica: 10 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1298.763353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.763353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.763353 (E_RNA) where: Base-Base interactions energy: -867.668 where: short stacking energy: -383.028 Base-Backbone interact. energy: -0.633 local terms energy: -430.462399 where: bonds (distance) C4'-P energy: -81.238 bonds (distance) P-C4' energy: -110.450 flat angles C4'-P-C4' energy: -91.660 flat angles P-C4'-P energy: -60.097 tors. eta vs tors. theta energy: -87.016 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: 9, replica: 6 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1127.326366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.326366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.326366 (E_RNA) where: Base-Base interactions energy: -709.981 where: short stacking energy: -326.233 Base-Backbone interact. energy: 6.444 local terms energy: -423.789305 where: bonds (distance) C4'-P energy: -87.254 bonds (distance) P-C4' energy: -109.586 flat angles C4'-P-C4' energy: -98.448 flat angles P-C4'-P energy: -65.181 tors. eta vs tors. theta energy: -63.321 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: 10, replica: 7 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -1102.915833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.915833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.915833 (E_RNA) where: Base-Base interactions energy: -688.232 where: short stacking energy: -290.813 Base-Backbone interact. energy: 1.115 local terms energy: -415.798285 where: bonds (distance) C4'-P energy: -96.365 bonds (distance) P-C4' energy: -98.575 flat angles C4'-P-C4' energy: -101.042 flat angles P-C4'-P energy: -69.196 tors. eta vs tors. theta energy: -50.620 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: 1, replica: 2 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1905.614653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.614653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.614653 (E_RNA) where: Base-Base interactions energy: -1331.119 where: short stacking energy: -557.408 Base-Backbone interact. energy: -0.402 local terms energy: -574.094313 where: bonds (distance) C4'-P energy: -108.987 bonds (distance) P-C4' energy: -106.437 flat angles C4'-P-C4' energy: -118.292 flat angles P-C4'-P energy: -80.990 tors. eta vs tors. theta energy: -159.389 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: 2, replica: 8 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1897.618890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.618890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.618890 (E_RNA) where: Base-Base interactions energy: -1318.571 where: short stacking energy: -546.108 Base-Backbone interact. energy: -0.144 local terms energy: -578.904401 where: bonds (distance) C4'-P energy: -107.630 bonds (distance) P-C4' energy: -115.021 flat angles C4'-P-C4' energy: -117.025 flat angles P-C4'-P energy: -78.327 tors. eta vs tors. theta energy: -160.901 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: 3, replica: 3 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1852.750681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.750681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.750681 (E_RNA) where: Base-Base interactions energy: -1308.193 where: short stacking energy: -528.102 Base-Backbone interact. energy: 0.886 local terms energy: -545.443268 where: bonds (distance) C4'-P energy: -90.145 bonds (distance) P-C4' energy: -107.605 flat angles C4'-P-C4' energy: -114.723 flat angles P-C4'-P energy: -82.449 tors. eta vs tors. theta energy: -150.522 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: 1 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1714.418939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.418939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.418939 (E_RNA) where: Base-Base interactions energy: -1192.306 where: short stacking energy: -482.277 Base-Backbone interact. energy: -2.568 local terms energy: -519.544828 where: bonds (distance) C4'-P energy: -84.299 bonds (distance) P-C4' energy: -110.045 flat angles C4'-P-C4' energy: -120.138 flat angles P-C4'-P energy: -77.848 tors. eta vs tors. theta energy: -127.215 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: 9 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1681.259062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.259062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.259062 (E_RNA) where: Base-Base interactions energy: -1168.913 where: short stacking energy: -481.811 Base-Backbone interact. energy: 0.691 local terms energy: -513.037384 where: bonds (distance) C4'-P energy: -88.030 bonds (distance) P-C4' energy: -107.408 flat angles C4'-P-C4' energy: -111.996 flat angles P-C4'-P energy: -76.643 tors. eta vs tors. theta energy: -128.962 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: 6, replica: 4 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1675.737473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.737473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.737473 (E_RNA) where: Base-Base interactions energy: -1173.524 where: short stacking energy: -463.602 Base-Backbone interact. energy: -2.350 local terms energy: -499.863746 where: bonds (distance) C4'-P energy: -93.304 bonds (distance) P-C4' energy: -108.865 flat angles C4'-P-C4' energy: -110.256 flat angles P-C4'-P energy: -64.003 tors. eta vs tors. theta energy: -123.435 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: 7, replica: 5 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1511.967238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.967238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.967238 (E_RNA) where: Base-Base interactions energy: -1021.620 where: short stacking energy: -418.122 Base-Backbone interact. energy: -2.835 local terms energy: -487.512906 where: bonds (distance) C4'-P energy: -85.537 bonds (distance) P-C4' energy: -100.166 flat angles C4'-P-C4' energy: -110.602 flat angles P-C4'-P energy: -68.260 tors. eta vs tors. theta energy: -122.948 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: 8, replica: 10 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1264.055029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.055029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.055029 (E_RNA) where: Base-Base interactions energy: -827.861 where: short stacking energy: -368.128 Base-Backbone interact. energy: -1.509 local terms energy: -434.685294 where: bonds (distance) C4'-P energy: -81.928 bonds (distance) P-C4' energy: -103.392 flat angles C4'-P-C4' energy: -92.893 flat angles P-C4'-P energy: -71.808 tors. eta vs tors. theta energy: -84.664 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: 9, replica: 7 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1147.878885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.878885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.878885 (E_RNA) where: Base-Base interactions energy: -728.977 where: short stacking energy: -323.415 Base-Backbone interact. energy: 3.360 local terms energy: -422.262584 where: bonds (distance) C4'-P energy: -93.170 bonds (distance) P-C4' energy: -104.501 flat angles C4'-P-C4' energy: -93.948 flat angles P-C4'-P energy: -71.544 tors. eta vs tors. theta energy: -59.100 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: 6 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -1092.452147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.452147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.452147 (E_RNA) where: Base-Base interactions energy: -689.860 where: short stacking energy: -309.688 Base-Backbone interact. energy: -1.203 local terms energy: -401.389553 where: bonds (distance) C4'-P energy: -82.077 bonds (distance) P-C4' energy: -108.182 flat angles C4'-P-C4' energy: -90.352 flat angles P-C4'-P energy: -54.058 tors. eta vs tors. theta energy: -66.721 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: 2 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1931.279235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.279235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.279235 (E_RNA) where: Base-Base interactions energy: -1341.649 where: short stacking energy: -555.883 Base-Backbone interact. energy: -2.062 local terms energy: -587.568785 where: bonds (distance) C4'-P energy: -98.458 bonds (distance) P-C4' energy: -111.949 flat angles C4'-P-C4' energy: -121.871 flat angles P-C4'-P energy: -91.375 tors. eta vs tors. theta energy: -163.917 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: 8 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1890.478371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.478371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.478371 (E_RNA) where: Base-Base interactions energy: -1333.408 where: short stacking energy: -552.892 Base-Backbone interact. energy: -3.362 local terms energy: -553.707843 where: bonds (distance) C4'-P energy: -100.239 bonds (distance) P-C4' energy: -109.183 flat angles C4'-P-C4' energy: -115.854 flat angles P-C4'-P energy: -74.381 tors. eta vs tors. theta energy: -154.051 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: 3, replica: 3 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1847.183880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.183880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.183880 (E_RNA) where: Base-Base interactions energy: -1304.495 where: short stacking energy: -520.674 Base-Backbone interact. energy: 1.444 local terms energy: -544.132182 where: bonds (distance) C4'-P energy: -84.321 bonds (distance) P-C4' energy: -112.711 flat angles C4'-P-C4' energy: -111.416 flat angles P-C4'-P energy: -83.328 tors. eta vs tors. theta energy: -152.355 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: 4, replica: 1 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1748.738153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.738153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.738153 (E_RNA) where: Base-Base interactions energy: -1233.456 where: short stacking energy: -509.195 Base-Backbone interact. energy: 1.180 local terms energy: -516.462654 where: bonds (distance) C4'-P energy: -84.801 bonds (distance) P-C4' energy: -107.286 flat angles C4'-P-C4' energy: -105.346 flat angles P-C4'-P energy: -72.740 tors. eta vs tors. theta energy: -146.289 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: 5, replica: 9 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1703.574751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.574751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.574751 (E_RNA) where: Base-Base interactions energy: -1187.270 where: short stacking energy: -474.698 Base-Backbone interact. energy: -0.968 local terms energy: -515.336739 where: bonds (distance) C4'-P energy: -85.631 bonds (distance) P-C4' energy: -107.810 flat angles C4'-P-C4' energy: -113.102 flat angles P-C4'-P energy: -72.426 tors. eta vs tors. theta energy: -136.369 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: 6, replica: 5 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1554.686366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.686366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.686366 (E_RNA) where: Base-Base interactions energy: -1067.948 where: short stacking energy: -450.541 Base-Backbone interact. energy: 1.140 local terms energy: -487.878732 where: bonds (distance) C4'-P energy: -83.777 bonds (distance) P-C4' energy: -100.729 flat angles C4'-P-C4' energy: -108.331 flat angles P-C4'-P energy: -74.750 tors. eta vs tors. theta energy: -120.291 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: 7, replica: 4 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1664.977996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.977996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.977996 (E_RNA) where: Base-Base interactions energy: -1148.396 where: short stacking energy: -470.622 Base-Backbone interact. energy: 1.654 local terms energy: -518.236310 where: bonds (distance) C4'-P energy: -94.279 bonds (distance) P-C4' energy: -117.086 flat angles C4'-P-C4' energy: -104.205 flat angles P-C4'-P energy: -74.629 tors. eta vs tors. theta energy: -128.037 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: 10 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1315.090478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.090478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.090478 (E_RNA) where: Base-Base interactions energy: -891.424 where: short stacking energy: -376.456 Base-Backbone interact. energy: 3.532 local terms energy: -427.198471 where: bonds (distance) C4'-P energy: -91.241 bonds (distance) P-C4' energy: -109.527 flat angles C4'-P-C4' energy: -95.057 flat angles P-C4'-P energy: -47.594 tors. eta vs tors. theta energy: -83.780 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: 9, replica: 7 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1116.935598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.935598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.935598 (E_RNA) where: Base-Base interactions energy: -704.340 where: short stacking energy: -327.829 Base-Backbone interact. energy: 3.571 local terms energy: -416.166215 where: bonds (distance) C4'-P energy: -100.279 bonds (distance) P-C4' energy: -100.392 flat angles C4'-P-C4' energy: -86.330 flat angles P-C4'-P energy: -63.029 tors. eta vs tors. theta energy: -66.136 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: 6 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -1111.982989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.982989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.982989 (E_RNA) where: Base-Base interactions energy: -711.846 where: short stacking energy: -316.724 Base-Backbone interact. energy: 2.988 local terms energy: -403.124834 where: bonds (distance) C4'-P energy: -87.676 bonds (distance) P-C4' energy: -97.968 flat angles C4'-P-C4' energy: -88.223 flat angles P-C4'-P energy: -63.063 tors. eta vs tors. theta energy: -66.195 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: 1, replica: 2 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1933.067212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.067212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.067212 (E_RNA) where: Base-Base interactions energy: -1357.155 where: short stacking energy: -546.448 Base-Backbone interact. energy: 0.629 local terms energy: -576.541280 where: bonds (distance) C4'-P energy: -98.611 bonds (distance) P-C4' energy: -115.528 flat angles C4'-P-C4' energy: -114.024 flat angles P-C4'-P energy: -83.196 tors. eta vs tors. theta energy: -165.181 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: 2, replica: 8 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1893.760049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.760049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.760049 (E_RNA) where: Base-Base interactions energy: -1340.580 where: short stacking energy: -543.583 Base-Backbone interact. energy: -0.269 local terms energy: -552.911760 where: bonds (distance) C4'-P energy: -86.873 bonds (distance) P-C4' energy: -113.358 flat angles C4'-P-C4' energy: -117.061 flat angles P-C4'-P energy: -87.798 tors. eta vs tors. theta energy: -147.822 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: 3 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1842.027862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.027862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.027862 (E_RNA) where: Base-Base interactions energy: -1296.688 where: short stacking energy: -530.173 Base-Backbone interact. energy: 2.503 local terms energy: -547.843116 where: bonds (distance) C4'-P energy: -94.868 bonds (distance) P-C4' energy: -103.196 flat angles C4'-P-C4' energy: -122.974 flat angles P-C4'-P energy: -70.290 tors. eta vs tors. theta energy: -156.515 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: 4, replica: 1 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1742.416225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.416225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.416225 (E_RNA) where: Base-Base interactions energy: -1216.794 where: short stacking energy: -486.346 Base-Backbone interact. energy: 0.667 local terms energy: -526.288441 where: bonds (distance) C4'-P energy: -99.746 bonds (distance) P-C4' energy: -101.310 flat angles C4'-P-C4' energy: -106.207 flat angles P-C4'-P energy: -81.684 tors. eta vs tors. theta energy: -137.342 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: 9 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1738.243286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.243286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.243286 (E_RNA) where: Base-Base interactions energy: -1232.777 where: short stacking energy: -508.734 Base-Backbone interact. energy: 0.499 local terms energy: -505.965279 where: bonds (distance) C4'-P energy: -101.132 bonds (distance) P-C4' energy: -94.286 flat angles C4'-P-C4' energy: -106.191 flat angles P-C4'-P energy: -64.220 tors. eta vs tors. theta energy: -140.136 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: 5 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1537.475462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.475462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.475462 (E_RNA) where: Base-Base interactions energy: -1053.704 where: short stacking energy: -452.310 Base-Backbone interact. energy: -0.267 local terms energy: -483.504497 where: bonds (distance) C4'-P energy: -89.957 bonds (distance) P-C4' energy: -110.603 flat angles C4'-P-C4' energy: -100.549 flat angles P-C4'-P energy: -64.653 tors. eta vs tors. theta energy: -117.743 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: 7, replica: 4 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1624.715865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.715865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.715865 (E_RNA) where: Base-Base interactions energy: -1123.294 where: short stacking energy: -462.580 Base-Backbone interact. energy: -2.594 local terms energy: -498.827677 where: bonds (distance) C4'-P energy: -98.301 bonds (distance) P-C4' energy: -102.190 flat angles C4'-P-C4' energy: -104.151 flat angles P-C4'-P energy: -69.622 tors. eta vs tors. theta energy: -124.564 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: 8, replica: 10 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1363.009412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.009412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.009412 (E_RNA) where: Base-Base interactions energy: -888.070 where: short stacking energy: -393.257 Base-Backbone interact. energy: -0.119 local terms energy: -474.820152 where: bonds (distance) C4'-P energy: -94.941 bonds (distance) P-C4' energy: -107.291 flat angles C4'-P-C4' energy: -111.404 flat angles P-C4'-P energy: -71.613 tors. eta vs tors. theta energy: -89.571 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: 9, replica: 6 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1150.567707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.567707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.567707 (E_RNA) where: Base-Base interactions energy: -719.797 where: short stacking energy: -310.134 Base-Backbone interact. energy: -3.125 local terms energy: -427.646045 where: bonds (distance) C4'-P energy: -103.074 bonds (distance) P-C4' energy: -102.839 flat angles C4'-P-C4' energy: -100.966 flat angles P-C4'-P energy: -59.548 tors. eta vs tors. theta energy: -61.219 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: 10, replica: 7 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -1117.180903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.180903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.180903 (E_RNA) where: Base-Base interactions energy: -738.909 where: short stacking energy: -297.399 Base-Backbone interact. energy: 2.604 local terms energy: -380.876041 where: bonds (distance) C4'-P energy: -96.987 bonds (distance) P-C4' energy: -91.648 flat angles C4'-P-C4' energy: -82.711 flat angles P-C4'-P energy: -56.971 tors. eta vs tors. theta energy: -52.559 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: 2 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1917.726201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.726201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.726201 (E_RNA) where: Base-Base interactions energy: -1342.867 where: short stacking energy: -568.105 Base-Backbone interact. energy: -1.079 local terms energy: -573.779481 where: bonds (distance) C4'-P energy: -99.077 bonds (distance) P-C4' energy: -111.127 flat angles C4'-P-C4' energy: -118.952 flat angles P-C4'-P energy: -83.748 tors. eta vs tors. theta energy: -160.876 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: 2, replica: 8 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1888.057999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.057999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.057999 (E_RNA) where: Base-Base interactions energy: -1325.883 where: short stacking energy: -529.811 Base-Backbone interact. energy: 0.053 local terms energy: -562.228893 where: bonds (distance) C4'-P energy: -100.368 bonds (distance) P-C4' energy: -119.700 flat angles C4'-P-C4' energy: -106.285 flat angles P-C4'-P energy: -83.119 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: 3, replica: 3 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1876.322823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.322823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.322823 (E_RNA) where: Base-Base interactions energy: -1334.974 where: short stacking energy: -543.460 Base-Backbone interact. energy: 1.205 local terms energy: -542.554345 where: bonds (distance) C4'-P energy: -90.703 bonds (distance) P-C4' energy: -110.843 flat angles C4'-P-C4' energy: -112.839 flat angles P-C4'-P energy: -72.657 tors. eta vs tors. theta energy: -155.513 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: 4, replica: 9 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1769.460481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.460481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.460481 (E_RNA) where: Base-Base interactions energy: -1241.147 where: short stacking energy: -498.840 Base-Backbone interact. energy: -0.930 local terms energy: -527.384194 where: bonds (distance) C4'-P energy: -93.155 bonds (distance) P-C4' energy: -108.878 flat angles C4'-P-C4' energy: -108.856 flat angles P-C4'-P energy: -79.969 tors. eta vs tors. theta energy: -136.526 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: 5, replica: 1 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1706.850520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.850520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.850520 (E_RNA) where: Base-Base interactions energy: -1198.697 where: short stacking energy: -481.709 Base-Backbone interact. energy: 3.140 local terms energy: -511.293610 where: bonds (distance) C4'-P energy: -85.328 bonds (distance) P-C4' energy: -106.083 flat angles C4'-P-C4' energy: -110.084 flat angles P-C4'-P energy: -71.450 tors. eta vs tors. theta energy: -138.349 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: 4 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1633.569234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.569234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.569234 (E_RNA) where: Base-Base interactions energy: -1135.630 where: short stacking energy: -469.463 Base-Backbone interact. energy: 2.512 local terms energy: -500.451366 where: bonds (distance) C4'-P energy: -86.311 bonds (distance) P-C4' energy: -112.511 flat angles C4'-P-C4' energy: -109.533 flat angles P-C4'-P energy: -62.495 tors. eta vs tors. theta energy: -129.601 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: 7, replica: 5 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1514.409861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.409861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.409861 (E_RNA) where: Base-Base interactions energy: -1021.800 where: short stacking energy: -439.854 Base-Backbone interact. energy: 3.638 local terms energy: -496.247819 where: bonds (distance) C4'-P energy: -98.321 bonds (distance) P-C4' energy: -102.258 flat angles C4'-P-C4' energy: -112.733 flat angles P-C4'-P energy: -64.484 tors. eta vs tors. theta energy: -118.452 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: 8, replica: 10 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1357.930430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.930430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.930430 (E_RNA) where: Base-Base interactions energy: -920.164 where: short stacking energy: -400.280 Base-Backbone interact. energy: 0.120 local terms energy: -437.887282 where: bonds (distance) C4'-P energy: -90.967 bonds (distance) P-C4' energy: -108.397 flat angles C4'-P-C4' energy: -99.490 flat angles P-C4'-P energy: -58.252 tors. eta vs tors. theta energy: -80.782 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: 9, replica: 6 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1112.581210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.581210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.581210 (E_RNA) where: Base-Base interactions energy: -692.656 where: short stacking energy: -320.059 Base-Backbone interact. energy: -2.279 local terms energy: -417.646112 where: bonds (distance) C4'-P energy: -87.836 bonds (distance) P-C4' energy: -92.924 flat angles C4'-P-C4' energy: -101.072 flat angles P-C4'-P energy: -64.400 tors. eta vs tors. theta energy: -71.414 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: 10, replica: 7 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -1122.934643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.934643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.934643 (E_RNA) where: Base-Base interactions energy: -729.240 where: short stacking energy: -325.255 Base-Backbone interact. energy: -0.335 local terms energy: -393.359170 where: bonds (distance) C4'-P energy: -80.074 bonds (distance) P-C4' energy: -105.625 flat angles C4'-P-C4' energy: -96.790 flat angles P-C4'-P energy: -57.327 tors. eta vs tors. theta energy: -53.543 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: 1, replica: 8 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1911.167524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.167524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.167524 (E_RNA) where: Base-Base interactions energy: -1333.428 where: short stacking energy: -554.632 Base-Backbone interact. energy: -3.594 local terms energy: -574.145923 where: bonds (distance) C4'-P energy: -94.052 bonds (distance) P-C4' energy: -115.707 flat angles C4'-P-C4' energy: -116.304 flat angles P-C4'-P energy: -94.897 tors. eta vs tors. theta energy: -153.186 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: 2 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1865.721162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.721162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.721162 (E_RNA) where: Base-Base interactions energy: -1310.453 where: short stacking energy: -551.024 Base-Backbone interact. energy: 0.774 local terms energy: -556.041814 where: bonds (distance) C4'-P energy: -92.067 bonds (distance) P-C4' energy: -115.795 flat angles C4'-P-C4' energy: -118.744 flat angles P-C4'-P energy: -80.945 tors. eta vs tors. theta energy: -148.490 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: 3, replica: 3 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1826.875879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.875879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.875879 (E_RNA) where: Base-Base interactions energy: -1277.934 where: short stacking energy: -508.155 Base-Backbone interact. energy: 4.125 local terms energy: -553.066511 where: bonds (distance) C4'-P energy: -104.996 bonds (distance) P-C4' energy: -106.718 flat angles C4'-P-C4' energy: -112.706 flat angles P-C4'-P energy: -80.577 tors. eta vs tors. theta energy: -148.069 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: 9 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1767.145484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.145484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.145484 (E_RNA) where: Base-Base interactions energy: -1244.751 where: short stacking energy: -516.910 Base-Backbone interact. energy: 2.810 local terms energy: -525.204481 where: bonds (distance) C4'-P energy: -96.145 bonds (distance) P-C4' energy: -98.173 flat angles C4'-P-C4' energy: -117.068 flat angles P-C4'-P energy: -69.820 tors. eta vs tors. theta energy: -143.999 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: 1 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1740.669430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.669430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.669430 (E_RNA) where: Base-Base interactions energy: -1224.284 where: short stacking energy: -514.354 Base-Backbone interact. energy: 1.948 local terms energy: -518.333471 where: bonds (distance) C4'-P energy: -92.892 bonds (distance) P-C4' energy: -103.542 flat angles C4'-P-C4' energy: -107.281 flat angles P-C4'-P energy: -79.038 tors. eta vs tors. theta energy: -135.581 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: 4 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1637.232345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.232345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.232345 (E_RNA) where: Base-Base interactions energy: -1125.811 where: short stacking energy: -452.650 Base-Backbone interact. energy: 0.477 local terms energy: -511.898215 where: bonds (distance) C4'-P energy: -103.637 bonds (distance) P-C4' energy: -107.049 flat angles C4'-P-C4' energy: -100.839 flat angles P-C4'-P energy: -74.600 tors. eta vs tors. theta energy: -125.773 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: 7, replica: 5 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1467.495059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.495059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.495059 (E_RNA) where: Base-Base interactions energy: -1010.606 where: short stacking energy: -404.484 Base-Backbone interact. energy: -1.206 local terms energy: -455.683079 where: bonds (distance) C4'-P energy: -98.394 bonds (distance) P-C4' energy: -97.909 flat angles C4'-P-C4' energy: -101.849 flat angles P-C4'-P energy: -58.898 tors. eta vs tors. theta energy: -98.633 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: 10 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1337.504052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.504052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.504052 (E_RNA) where: Base-Base interactions energy: -901.193 where: short stacking energy: -389.319 Base-Backbone interact. energy: 0.286 local terms energy: -436.597249 where: bonds (distance) C4'-P energy: -75.631 bonds (distance) P-C4' energy: -108.905 flat angles C4'-P-C4' energy: -102.842 flat angles P-C4'-P energy: -62.924 tors. eta vs tors. theta energy: -86.295 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: 410 Temperature: 1.300000 Total energy: -1125.936796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.936796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.936796 (E_RNA) where: Base-Base interactions energy: -735.605 where: short stacking energy: -331.498 Base-Backbone interact. energy: 4.038 local terms energy: -394.369402 where: bonds (distance) C4'-P energy: -86.616 bonds (distance) P-C4' energy: -103.795 flat angles C4'-P-C4' energy: -89.225 flat angles P-C4'-P energy: -53.471 tors. eta vs tors. theta energy: -61.261 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: 7 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -1083.374786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.374786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.374786 (E_RNA) where: Base-Base interactions energy: -706.979 where: short stacking energy: -330.267 Base-Backbone interact. energy: 4.369 local terms energy: -380.765062 where: bonds (distance) C4'-P energy: -74.454 bonds (distance) P-C4' energy: -101.622 flat angles C4'-P-C4' energy: -88.545 flat angles P-C4'-P energy: -60.581 tors. eta vs tors. theta energy: -55.563 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: 1, replica: 8 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1915.641782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.641782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.641782 (E_RNA) where: Base-Base interactions energy: -1337.474 where: short stacking energy: -555.111 Base-Backbone interact. energy: -0.294 local terms energy: -577.873995 where: bonds (distance) C4'-P energy: -97.369 bonds (distance) P-C4' energy: -114.211 flat angles C4'-P-C4' energy: -117.900 flat angles P-C4'-P energy: -91.434 tors. eta vs tors. theta energy: -156.960 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: 2 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1890.130315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.130315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.130315 (E_RNA) where: Base-Base interactions energy: -1325.198 where: short stacking energy: -530.780 Base-Backbone interact. energy: 1.781 local terms energy: -566.712719 where: bonds (distance) C4'-P energy: -100.311 bonds (distance) P-C4' energy: -117.111 flat angles C4'-P-C4' energy: -113.186 flat angles P-C4'-P energy: -72.233 tors. eta vs tors. theta energy: -163.871 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: 3, replica: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1820.071066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.071066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.071066 (E_RNA) where: Base-Base interactions energy: -1269.686 where: short stacking energy: -516.921 Base-Backbone interact. energy: 4.665 local terms energy: -555.049875 where: bonds (distance) C4'-P energy: -105.704 bonds (distance) P-C4' energy: -112.512 flat angles C4'-P-C4' energy: -103.855 flat angles P-C4'-P energy: -77.681 tors. eta vs tors. theta energy: -155.298 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: 4, replica: 9 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1752.346904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.346904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.346904 (E_RNA) where: Base-Base interactions energy: -1237.822 where: short stacking energy: -512.665 Base-Backbone interact. energy: -2.447 local terms energy: -512.077679 where: bonds (distance) C4'-P energy: -84.695 bonds (distance) P-C4' energy: -94.086 flat angles C4'-P-C4' energy: -113.174 flat angles P-C4'-P energy: -79.958 tors. eta vs tors. theta energy: -140.165 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: 5, replica: 1 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1722.080074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.080074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.080074 (E_RNA) where: Base-Base interactions energy: -1193.094 where: short stacking energy: -505.079 Base-Backbone interact. energy: 1.999 local terms energy: -530.985662 where: bonds (distance) C4'-P energy: -87.600 bonds (distance) P-C4' energy: -105.517 flat angles C4'-P-C4' energy: -116.235 flat angles P-C4'-P energy: -74.366 tors. eta vs tors. theta energy: -147.267 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: 6, replica: 4 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1668.732408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.732408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.732408 (E_RNA) where: Base-Base interactions energy: -1177.331 where: short stacking energy: -477.724 Base-Backbone interact. energy: 0.503 local terms energy: -491.903951 where: bonds (distance) C4'-P energy: -74.771 bonds (distance) P-C4' energy: -116.134 flat angles C4'-P-C4' energy: -106.320 flat angles P-C4'-P energy: -63.737 tors. eta vs tors. theta energy: -130.941 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: 7, replica: 5 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1472.580776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.580776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.580776 (E_RNA) where: Base-Base interactions energy: -1013.985 where: short stacking energy: -406.933 Base-Backbone interact. energy: -2.650 local terms energy: -455.946000 where: bonds (distance) C4'-P energy: -82.931 bonds (distance) P-C4' energy: -110.683 flat angles C4'-P-C4' energy: -107.611 flat angles P-C4'-P energy: -66.093 tors. eta vs tors. theta energy: -88.628 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: 8, replica: 10 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1265.116946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.116946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.116946 (E_RNA) where: Base-Base interactions energy: -834.665 where: short stacking energy: -362.283 Base-Backbone interact. energy: 0.134 local terms energy: -430.586246 where: bonds (distance) C4'-P energy: -89.128 bonds (distance) P-C4' energy: -92.677 flat angles C4'-P-C4' energy: -84.166 flat angles P-C4'-P energy: -76.909 tors. eta vs tors. theta energy: -87.706 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: 9, replica: 6 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1150.606016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.606016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.606016 (E_RNA) where: Base-Base interactions energy: -756.148 where: short stacking energy: -333.404 Base-Backbone interact. energy: 9.606 local terms energy: -404.064184 where: bonds (distance) C4'-P energy: -80.889 bonds (distance) P-C4' energy: -106.855 flat angles C4'-P-C4' energy: -94.196 flat angles P-C4'-P energy: -60.560 tors. eta vs tors. theta energy: -61.565 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: 10, replica: 7 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -1086.566905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.566905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.566905 (E_RNA) where: Base-Base interactions energy: -708.263 where: short stacking energy: -305.667 Base-Backbone interact. energy: 2.999 local terms energy: -381.303113 where: bonds (distance) C4'-P energy: -86.416 bonds (distance) P-C4' energy: -97.096 flat angles C4'-P-C4' energy: -89.738 flat angles P-C4'-P energy: -62.285 tors. eta vs tors. theta energy: -45.768 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: 8 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1907.743110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.743110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.743110 (E_RNA) where: Base-Base interactions energy: -1334.750 where: short stacking energy: -554.182 Base-Backbone interact. energy: -0.427 local terms energy: -572.566234 where: bonds (distance) C4'-P energy: -103.484 bonds (distance) P-C4' energy: -113.552 flat angles C4'-P-C4' energy: -119.758 flat angles P-C4'-P energy: -76.969 tors. eta vs tors. theta energy: -158.803 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: 2, replica: 2 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1877.783973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.783973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.783973 (E_RNA) where: Base-Base interactions energy: -1319.749 where: short stacking energy: -554.517 Base-Backbone interact. energy: -1.899 local terms energy: -556.136193 where: bonds (distance) C4'-P energy: -87.955 bonds (distance) P-C4' energy: -117.469 flat angles C4'-P-C4' energy: -112.585 flat angles P-C4'-P energy: -79.939 tors. eta vs tors. theta energy: -158.188 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: 3 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1817.602657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.602657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.602657 (E_RNA) where: Base-Base interactions energy: -1282.772 where: short stacking energy: -526.685 Base-Backbone interact. energy: 1.832 local terms energy: -536.662226 where: bonds (distance) C4'-P energy: -94.337 bonds (distance) P-C4' energy: -109.889 flat angles C4'-P-C4' energy: -117.825 flat angles P-C4'-P energy: -73.335 tors. eta vs tors. theta energy: -141.276 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: 9 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1779.067001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.067001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.067001 (E_RNA) where: Base-Base interactions energy: -1239.495 where: short stacking energy: -514.488 Base-Backbone interact. energy: -0.772 local terms energy: -538.799597 where: bonds (distance) C4'-P energy: -89.725 bonds (distance) P-C4' energy: -108.911 flat angles C4'-P-C4' energy: -120.150 flat angles P-C4'-P energy: -83.770 tors. eta vs tors. theta energy: -136.244 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: 5, replica: 1 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1755.167153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.167153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.167153 (E_RNA) where: Base-Base interactions energy: -1221.375 where: short stacking energy: -507.260 Base-Backbone interact. energy: 1.023 local terms energy: -534.814417 where: bonds (distance) C4'-P energy: -99.241 bonds (distance) P-C4' energy: -105.323 flat angles C4'-P-C4' energy: -109.930 flat angles P-C4'-P energy: -76.848 tors. eta vs tors. theta energy: -143.472 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: 6, replica: 4 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1705.583648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.583648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.583648 (E_RNA) where: Base-Base interactions energy: -1178.190 where: short stacking energy: -470.148 Base-Backbone interact. energy: 0.331 local terms energy: -527.724771 where: bonds (distance) C4'-P energy: -101.015 bonds (distance) P-C4' energy: -115.619 flat angles C4'-P-C4' energy: -107.671 flat angles P-C4'-P energy: -76.464 tors. eta vs tors. theta energy: -126.955 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: 7, replica: 5 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1515.549547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.549547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.549547 (E_RNA) where: Base-Base interactions energy: -1061.061 where: short stacking energy: -442.604 Base-Backbone interact. energy: 1.703 local terms energy: -456.191029 where: bonds (distance) C4'-P energy: -86.524 bonds (distance) P-C4' energy: -100.074 flat angles C4'-P-C4' energy: -93.182 flat angles P-C4'-P energy: -63.780 tors. eta vs tors. theta energy: -112.631 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: 10 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1258.030566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.030566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.030566 (E_RNA) where: Base-Base interactions energy: -824.495 where: short stacking energy: -363.627 Base-Backbone interact. energy: 1.432 local terms energy: -434.967267 where: bonds (distance) C4'-P energy: -86.051 bonds (distance) P-C4' energy: -106.268 flat angles C4'-P-C4' energy: -96.538 flat angles P-C4'-P energy: -65.191 tors. eta vs tors. theta energy: -80.920 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: 9, replica: 6 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1198.629583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.629583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.629583 (E_RNA) where: Base-Base interactions energy: -772.950 where: short stacking energy: -337.739 Base-Backbone interact. energy: 1.495 local terms energy: -427.175109 where: bonds (distance) C4'-P energy: -86.891 bonds (distance) P-C4' energy: -101.257 flat angles C4'-P-C4' energy: -89.854 flat angles P-C4'-P energy: -74.333 tors. eta vs tors. theta energy: -74.840 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: 7 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -1103.990609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.990609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.990609 (E_RNA) where: Base-Base interactions energy: -711.404 where: short stacking energy: -298.458 Base-Backbone interact. energy: 3.229 local terms energy: -395.815115 where: bonds (distance) C4'-P energy: -87.278 bonds (distance) P-C4' energy: -100.243 flat angles C4'-P-C4' energy: -91.925 flat angles P-C4'-P energy: -54.246 tors. eta vs tors. theta energy: -62.124 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: 8 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1935.932450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.932450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.932450 (E_RNA) where: Base-Base interactions energy: -1368.772 where: short stacking energy: -570.483 Base-Backbone interact. energy: 3.418 local terms energy: -570.579065 where: bonds (distance) C4'-P energy: -105.931 bonds (distance) P-C4' energy: -117.340 flat angles C4'-P-C4' energy: -113.606 flat angles P-C4'-P energy: -77.778 tors. eta vs tors. theta energy: -155.925 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: 2 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1874.875471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.875471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.875471 (E_RNA) where: Base-Base interactions energy: -1293.019 where: short stacking energy: -545.940 Base-Backbone interact. energy: -2.149 local terms energy: -579.707693 where: bonds (distance) C4'-P energy: -114.205 bonds (distance) P-C4' energy: -106.061 flat angles C4'-P-C4' energy: -114.003 flat angles P-C4'-P energy: -88.798 tors. eta vs tors. theta energy: -156.642 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: 3, replica: 3 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1838.104706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.104706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.104706 (E_RNA) where: Base-Base interactions energy: -1285.554 where: short stacking energy: -527.318 Base-Backbone interact. energy: 4.077 local terms energy: -556.627240 where: bonds (distance) C4'-P energy: -103.444 bonds (distance) P-C4' energy: -115.539 flat angles C4'-P-C4' energy: -110.108 flat angles P-C4'-P energy: -74.927 tors. eta vs tors. theta energy: -152.609 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: 4, replica: 9 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1769.823954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.823954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.823954 (E_RNA) where: Base-Base interactions energy: -1233.054 where: short stacking energy: -511.478 Base-Backbone interact. energy: -0.007 local terms energy: -536.762503 where: bonds (distance) C4'-P energy: -101.728 bonds (distance) P-C4' energy: -92.028 flat angles C4'-P-C4' energy: -118.391 flat angles P-C4'-P energy: -81.851 tors. eta vs tors. theta energy: -142.764 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: 5, replica: 1 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1720.930161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.930161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.930161 (E_RNA) where: Base-Base interactions energy: -1195.825 where: short stacking energy: -484.033 Base-Backbone interact. energy: 4.337 local terms energy: -529.442452 where: bonds (distance) C4'-P energy: -99.093 bonds (distance) P-C4' energy: -106.632 flat angles C4'-P-C4' energy: -112.140 flat angles P-C4'-P energy: -74.836 tors. eta vs tors. theta energy: -136.742 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: 4 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1685.354381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.354381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.354381 (E_RNA) where: Base-Base interactions energy: -1159.509 where: short stacking energy: -503.866 Base-Backbone interact. energy: -2.376 local terms energy: -523.469041 where: bonds (distance) C4'-P energy: -94.931 bonds (distance) P-C4' energy: -101.799 flat angles C4'-P-C4' energy: -112.848 flat angles P-C4'-P energy: -70.365 tors. eta vs tors. theta energy: -143.526 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: 5 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1482.241418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.241418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.241418 (E_RNA) where: Base-Base interactions energy: -1033.004 where: short stacking energy: -421.667 Base-Backbone interact. energy: 3.739 local terms energy: -452.976067 where: bonds (distance) C4'-P energy: -81.842 bonds (distance) P-C4' energy: -106.570 flat angles C4'-P-C4' energy: -101.613 flat angles P-C4'-P energy: -68.592 tors. eta vs tors. theta energy: -94.359 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: 8, replica: 10 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1263.293265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.293265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.293265 (E_RNA) where: Base-Base interactions energy: -848.733 where: short stacking energy: -388.636 Base-Backbone interact. energy: 6.468 local terms energy: -421.028483 where: bonds (distance) C4'-P energy: -66.599 bonds (distance) P-C4' energy: -95.847 flat angles C4'-P-C4' energy: -101.835 flat angles P-C4'-P energy: -68.301 tors. eta vs tors. theta energy: -88.447 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: 6 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1194.029113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.029113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.029113 (E_RNA) where: Base-Base interactions energy: -784.074 where: short stacking energy: -348.167 Base-Backbone interact. energy: 2.428 local terms energy: -412.383055 where: bonds (distance) C4'-P energy: -83.539 bonds (distance) P-C4' energy: -106.623 flat angles C4'-P-C4' energy: -85.878 flat angles P-C4'-P energy: -62.606 tors. eta vs tors. theta energy: -73.737 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: 10, replica: 7 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -1119.646965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.646965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.646965 (E_RNA) where: Base-Base interactions energy: -713.901 where: short stacking energy: -314.774 Base-Backbone interact. energy: 3.178 local terms energy: -408.923261 where: bonds (distance) C4'-P energy: -84.076 bonds (distance) P-C4' energy: -94.332 flat angles C4'-P-C4' energy: -98.764 flat angles P-C4'-P energy: -65.686 tors. eta vs tors. theta energy: -66.065 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: 1, replica: 8 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1923.092779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.092779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.092779 (E_RNA) where: Base-Base interactions energy: -1338.441 where: short stacking energy: -542.129 Base-Backbone interact. energy: -3.801 local terms energy: -580.851136 where: bonds (distance) C4'-P energy: -108.506 bonds (distance) P-C4' energy: -114.601 flat angles C4'-P-C4' energy: -121.431 flat angles P-C4'-P energy: -77.647 tors. eta vs tors. theta energy: -158.666 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: 2 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1861.264238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.264238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.264238 (E_RNA) where: Base-Base interactions energy: -1314.502 where: short stacking energy: -546.705 Base-Backbone interact. energy: 2.736 local terms energy: -549.498543 where: bonds (distance) C4'-P energy: -112.222 bonds (distance) P-C4' energy: -101.413 flat angles C4'-P-C4' energy: -108.369 flat angles P-C4'-P energy: -70.777 tors. eta vs tors. theta energy: -156.718 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: 3 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1850.284251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.284251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.284251 (E_RNA) where: Base-Base interactions energy: -1309.638 where: short stacking energy: -541.520 Base-Backbone interact. energy: 1.665 local terms energy: -542.310876 where: bonds (distance) C4'-P energy: -100.292 bonds (distance) P-C4' energy: -94.951 flat angles C4'-P-C4' energy: -116.083 flat angles P-C4'-P energy: -76.248 tors. eta vs tors. theta energy: -154.737 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: 9 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1759.358209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.358209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.358209 (E_RNA) where: Base-Base interactions energy: -1236.365 where: short stacking energy: -521.854 Base-Backbone interact. energy: -3.434 local terms energy: -519.559495 where: bonds (distance) C4'-P energy: -93.351 bonds (distance) P-C4' energy: -110.419 flat angles C4'-P-C4' energy: -104.109 flat angles P-C4'-P energy: -73.086 tors. eta vs tors. theta energy: -138.594 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: 4 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1702.881371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.881371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.881371 (E_RNA) where: Base-Base interactions energy: -1185.944 where: short stacking energy: -474.653 Base-Backbone interact. energy: 1.957 local terms energy: -518.895003 where: bonds (distance) C4'-P energy: -90.088 bonds (distance) P-C4' energy: -116.565 flat angles C4'-P-C4' energy: -107.578 flat angles P-C4'-P energy: -70.058 tors. eta vs tors. theta energy: -134.606 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: 6, replica: 1 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1677.197929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.197929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.197929 (E_RNA) where: Base-Base interactions energy: -1162.591 where: short stacking energy: -482.320 Base-Backbone interact. energy: -2.293 local terms energy: -512.314070 where: bonds (distance) C4'-P energy: -95.292 bonds (distance) P-C4' energy: -102.654 flat angles C4'-P-C4' energy: -105.075 flat angles P-C4'-P energy: -67.866 tors. eta vs tors. theta energy: -141.427 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: 7, replica: 5 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1502.488276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.488276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.488276 (E_RNA) where: Base-Base interactions energy: -1038.168 where: short stacking energy: -447.976 Base-Backbone interact. energy: 2.628 local terms energy: -466.948474 where: bonds (distance) C4'-P energy: -84.102 bonds (distance) P-C4' energy: -98.019 flat angles C4'-P-C4' energy: -104.090 flat angles P-C4'-P energy: -72.140 tors. eta vs tors. theta energy: -108.598 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: 8, replica: 10 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1285.469015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.469015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.469015 (E_RNA) where: Base-Base interactions energy: -837.790 where: short stacking energy: -373.055 Base-Backbone interact. energy: -1.177 local terms energy: -446.501569 where: bonds (distance) C4'-P energy: -86.958 bonds (distance) P-C4' energy: -99.663 flat angles C4'-P-C4' energy: -102.358 flat angles P-C4'-P energy: -58.700 tors. eta vs tors. theta energy: -98.822 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: 9, replica: 7 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1161.451964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.451964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.451964 (E_RNA) where: Base-Base interactions energy: -754.265 where: short stacking energy: -334.294 Base-Backbone interact. energy: 3.816 local terms energy: -411.002584 where: bonds (distance) C4'-P energy: -87.769 bonds (distance) P-C4' energy: -94.736 flat angles C4'-P-C4' energy: -95.010 flat angles P-C4'-P energy: -62.007 tors. eta vs tors. theta energy: -71.480 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: 10, replica: 6 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -1118.324847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.324847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.324847 (E_RNA) where: Base-Base interactions energy: -723.017 where: short stacking energy: -315.382 Base-Backbone interact. energy: 5.860 local terms energy: -401.168185 where: bonds (distance) C4'-P energy: -83.764 bonds (distance) P-C4' energy: -93.773 flat angles C4'-P-C4' energy: -105.683 flat angles P-C4'-P energy: -50.876 tors. eta vs tors. theta energy: -67.072 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: 1, replica: 8 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1929.767519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.767519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.767519 (E_RNA) where: Base-Base interactions energy: -1350.315 where: short stacking energy: -548.132 Base-Backbone interact. energy: -1.559 local terms energy: -577.892988 where: bonds (distance) C4'-P energy: -101.365 bonds (distance) P-C4' energy: -116.129 flat angles C4'-P-C4' energy: -118.055 flat angles P-C4'-P energy: -86.395 tors. eta vs tors. theta energy: -155.948 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: 3 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1881.795598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.795598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.795598 (E_RNA) where: Base-Base interactions energy: -1321.004 where: short stacking energy: -549.085 Base-Backbone interact. energy: -1.718 local terms energy: -559.073596 where: bonds (distance) C4'-P energy: -94.346 bonds (distance) P-C4' energy: -110.834 flat angles C4'-P-C4' energy: -116.991 flat angles P-C4'-P energy: -81.059 tors. eta vs tors. theta energy: -155.843 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: 3, replica: 2 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1828.478255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.478255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.478255 (E_RNA) where: Base-Base interactions energy: -1286.979 where: short stacking energy: -530.066 Base-Backbone interact. energy: -1.086 local terms energy: -540.413980 where: bonds (distance) C4'-P energy: -86.862 bonds (distance) P-C4' energy: -101.398 flat angles C4'-P-C4' energy: -116.264 flat angles P-C4'-P energy: -81.498 tors. eta vs tors. theta energy: -154.392 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: 4, replica: 9 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1786.128675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.128675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.128675 (E_RNA) where: Base-Base interactions energy: -1250.802 where: short stacking energy: -520.829 Base-Backbone interact. energy: 1.597 local terms energy: -536.922966 where: bonds (distance) C4'-P energy: -95.785 bonds (distance) P-C4' energy: -116.461 flat angles C4'-P-C4' energy: -108.623 flat angles P-C4'-P energy: -78.105 tors. eta vs tors. theta energy: -137.948 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: 415 Temperature: 1.100000 Total energy: -1707.635162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.635162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.635162 (E_RNA) where: Base-Base interactions energy: -1199.809 where: short stacking energy: -493.886 Base-Backbone interact. energy: -0.690 local terms energy: -507.136389 where: bonds (distance) C4'-P energy: -95.672 bonds (distance) P-C4' energy: -99.534 flat angles C4'-P-C4' energy: -103.194 flat angles P-C4'-P energy: -79.956 tors. eta vs tors. theta energy: -128.780 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: 1 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1718.061815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.061815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.061815 (E_RNA) where: Base-Base interactions energy: -1189.940 where: short stacking energy: -486.138 Base-Backbone interact. energy: 0.023 local terms energy: -528.144408 where: bonds (distance) C4'-P energy: -102.894 bonds (distance) P-C4' energy: -108.325 flat angles C4'-P-C4' energy: -112.871 flat angles P-C4'-P energy: -67.940 tors. eta vs tors. theta energy: -136.115 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: 7, replica: 5 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1487.296239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.296239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.296239 (E_RNA) where: Base-Base interactions energy: -1010.200 where: short stacking energy: -432.002 Base-Backbone interact. energy: -0.308 local terms energy: -476.787840 where: bonds (distance) C4'-P energy: -78.511 bonds (distance) P-C4' energy: -113.192 flat angles C4'-P-C4' energy: -106.204 flat angles P-C4'-P energy: -64.686 tors. eta vs tors. theta energy: -114.195 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: 8, replica: 10 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1325.120671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.120671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.120671 (E_RNA) where: Base-Base interactions energy: -899.409 where: short stacking energy: -409.248 Base-Backbone interact. energy: 4.101 local terms energy: -429.813092 where: bonds (distance) C4'-P energy: -75.810 bonds (distance) P-C4' energy: -103.818 flat angles C4'-P-C4' energy: -95.440 flat angles P-C4'-P energy: -59.421 tors. eta vs tors. theta energy: -95.324 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: 9, replica: 7 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1155.876744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.876744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.876744 (E_RNA) where: Base-Base interactions energy: -722.529 where: short stacking energy: -332.843 Base-Backbone interact. energy: -2.351 local terms energy: -430.997436 where: bonds (distance) C4'-P energy: -88.571 bonds (distance) P-C4' energy: -105.162 flat angles C4'-P-C4' energy: -97.631 flat angles P-C4'-P energy: -64.781 tors. eta vs tors. theta energy: -74.853 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: 10, replica: 6 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -1088.830044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.830044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.830044 (E_RNA) where: Base-Base interactions energy: -699.017 where: short stacking energy: -316.452 Base-Backbone interact. energy: 1.262 local terms energy: -391.074787 where: bonds (distance) C4'-P energy: -85.508 bonds (distance) P-C4' energy: -94.422 flat angles C4'-P-C4' energy: -90.243 flat angles P-C4'-P energy: -59.263 tors. eta vs tors. theta energy: -61.639 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: 8 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1933.731513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.731513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.731513 (E_RNA) where: Base-Base interactions energy: -1345.084 where: short stacking energy: -552.362 Base-Backbone interact. energy: -0.187 local terms energy: -588.460044 where: bonds (distance) C4'-P energy: -105.303 bonds (distance) P-C4' energy: -118.001 flat angles C4'-P-C4' energy: -121.914 flat angles P-C4'-P energy: -80.466 tors. eta vs tors. theta energy: -162.776 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: 2, replica: 3 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1905.872757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.872757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.872757 (E_RNA) where: Base-Base interactions energy: -1341.356 where: short stacking energy: -553.402 Base-Backbone interact. energy: -2.697 local terms energy: -561.819922 where: bonds (distance) C4'-P energy: -99.728 bonds (distance) P-C4' energy: -106.297 flat angles C4'-P-C4' energy: -112.738 flat angles P-C4'-P energy: -86.098 tors. eta vs tors. theta energy: -156.960 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: 2 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1857.354483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.354483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.354483 (E_RNA) where: Base-Base interactions energy: -1308.869 where: short stacking energy: -538.131 Base-Backbone interact. energy: -0.298 local terms energy: -548.187247 where: bonds (distance) C4'-P energy: -91.196 bonds (distance) P-C4' energy: -102.257 flat angles C4'-P-C4' energy: -113.670 flat angles P-C4'-P energy: -78.799 tors. eta vs tors. theta energy: -162.265 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: 4, replica: 9 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1748.136767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.136767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.136767 (E_RNA) where: Base-Base interactions energy: -1229.600 where: short stacking energy: -515.668 Base-Backbone interact. energy: -1.661 local terms energy: -516.875742 where: bonds (distance) C4'-P energy: -82.467 bonds (distance) P-C4' energy: -96.572 flat angles C4'-P-C4' energy: -117.185 flat angles P-C4'-P energy: -80.086 tors. eta vs tors. theta energy: -140.565 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: 1 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1737.324270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.324270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.324270 (E_RNA) where: Base-Base interactions energy: -1218.574 where: short stacking energy: -511.349 Base-Backbone interact. energy: 0.763 local terms energy: -519.512603 where: bonds (distance) C4'-P energy: -95.637 bonds (distance) P-C4' energy: -104.878 flat angles C4'-P-C4' energy: -118.549 flat angles P-C4'-P energy: -63.706 tors. eta vs tors. theta energy: -136.742 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: 4 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1681.377158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.377158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.377158 (E_RNA) where: Base-Base interactions energy: -1162.265 where: short stacking energy: -471.956 Base-Backbone interact. energy: 3.349 local terms energy: -522.461033 where: bonds (distance) C4'-P energy: -89.103 bonds (distance) P-C4' energy: -106.334 flat angles C4'-P-C4' energy: -112.132 flat angles P-C4'-P energy: -70.236 tors. eta vs tors. theta energy: -144.656 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: 5 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1480.587612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.587612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.587612 (E_RNA) where: Base-Base interactions energy: -1005.891 where: short stacking energy: -421.080 Base-Backbone interact. energy: 0.355 local terms energy: -475.051261 where: bonds (distance) C4'-P energy: -92.601 bonds (distance) P-C4' energy: -101.828 flat angles C4'-P-C4' energy: -109.686 flat angles P-C4'-P energy: -68.879 tors. eta vs tors. theta energy: -102.057 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: 10 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1302.214841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.214841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.214841 (E_RNA) where: Base-Base interactions energy: -864.534 where: short stacking energy: -369.574 Base-Backbone interact. energy: -1.600 local terms energy: -436.081107 where: bonds (distance) C4'-P energy: -76.276 bonds (distance) P-C4' energy: -91.048 flat angles C4'-P-C4' energy: -96.566 flat angles P-C4'-P energy: -76.473 tors. eta vs tors. theta energy: -95.718 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: 9, replica: 6 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1129.676074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.676074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.676074 (E_RNA) where: Base-Base interactions energy: -741.215 where: short stacking energy: -321.362 Base-Backbone interact. energy: -0.879 local terms energy: -387.582026 where: bonds (distance) C4'-P energy: -87.344 bonds (distance) P-C4' energy: -90.405 flat angles C4'-P-C4' energy: -84.312 flat angles P-C4'-P energy: -61.400 tors. eta vs tors. theta energy: -64.121 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: 10, replica: 7 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -1095.161244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.161244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.161244 (E_RNA) where: Base-Base interactions energy: -707.562 where: short stacking energy: -313.765 Base-Backbone interact. energy: 5.356 local terms energy: -392.956087 where: bonds (distance) C4'-P energy: -74.551 bonds (distance) P-C4' energy: -100.583 flat angles C4'-P-C4' energy: -99.837 flat angles P-C4'-P energy: -62.014 tors. eta vs tors. theta energy: -55.971 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: 1, replica: 8 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1922.880371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.880371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.880371 (E_RNA) where: Base-Base interactions energy: -1340.173 where: short stacking energy: -553.874 Base-Backbone interact. energy: -0.589 local terms energy: -582.118493 where: bonds (distance) C4'-P energy: -109.254 bonds (distance) P-C4' energy: -116.363 flat angles C4'-P-C4' energy: -117.091 flat angles P-C4'-P energy: -81.758 tors. eta vs tors. theta energy: -157.653 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: 3 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1892.033289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.033289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.033289 (E_RNA) where: Base-Base interactions energy: -1340.414 where: short stacking energy: -552.332 Base-Backbone interact. energy: 1.215 local terms energy: -552.834316 where: bonds (distance) C4'-P energy: -102.365 bonds (distance) P-C4' energy: -102.599 flat angles C4'-P-C4' energy: -115.480 flat angles P-C4'-P energy: -81.052 tors. eta vs tors. theta energy: -151.338 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: 3, replica: 2 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1836.997739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.997739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.997739 (E_RNA) where: Base-Base interactions energy: -1292.108 where: short stacking energy: -540.253 Base-Backbone interact. energy: 0.225 local terms energy: -545.114373 where: bonds (distance) C4'-P energy: -85.128 bonds (distance) P-C4' energy: -113.666 flat angles C4'-P-C4' energy: -119.792 flat angles P-C4'-P energy: -75.475 tors. eta vs tors. theta energy: -151.053 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: 4, replica: 9 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1757.264844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.264844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.264844 (E_RNA) where: Base-Base interactions energy: -1219.937 where: short stacking energy: -510.939 Base-Backbone interact. energy: 0.733 local terms energy: -538.060322 where: bonds (distance) C4'-P energy: -98.654 bonds (distance) P-C4' energy: -100.291 flat angles C4'-P-C4' energy: -110.633 flat angles P-C4'-P energy: -82.769 tors. eta vs tors. theta energy: -145.713 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: 1 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1757.377576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.377576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.377576 (E_RNA) where: Base-Base interactions energy: -1244.283 where: short stacking energy: -517.256 Base-Backbone interact. energy: 0.324 local terms energy: -513.418577 where: bonds (distance) C4'-P energy: -88.866 bonds (distance) P-C4' energy: -95.561 flat angles C4'-P-C4' energy: -114.774 flat angles P-C4'-P energy: -77.665 tors. eta vs tors. theta energy: -136.552 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: 4 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1669.972342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.972342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.972342 (E_RNA) where: Base-Base interactions energy: -1167.996 where: short stacking energy: -474.420 Base-Backbone interact. energy: -0.825 local terms energy: -501.151806 where: bonds (distance) C4'-P energy: -92.580 bonds (distance) P-C4' energy: -104.386 flat angles C4'-P-C4' energy: -102.721 flat angles P-C4'-P energy: -70.348 tors. eta vs tors. theta energy: -131.117 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: 5 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1494.845122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.845122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.845122 (E_RNA) where: Base-Base interactions energy: -1027.301 where: short stacking energy: -429.046 Base-Backbone interact. energy: -1.187 local terms energy: -466.357249 where: bonds (distance) C4'-P energy: -83.581 bonds (distance) P-C4' energy: -109.443 flat angles C4'-P-C4' energy: -101.568 flat angles P-C4'-P energy: -63.467 tors. eta vs tors. theta energy: -108.300 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: 10 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1295.643157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.643157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.643157 (E_RNA) where: Base-Base interactions energy: -860.457 where: short stacking energy: -388.407 Base-Backbone interact. energy: 1.743 local terms energy: -436.929917 where: bonds (distance) C4'-P energy: -90.201 bonds (distance) P-C4' energy: -98.399 flat angles C4'-P-C4' energy: -98.980 flat angles P-C4'-P energy: -52.912 tors. eta vs tors. theta energy: -96.438 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: 9, replica: 6 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1165.380069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.380069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.380069 (E_RNA) where: Base-Base interactions energy: -762.191 where: short stacking energy: -341.178 Base-Backbone interact. energy: 1.522 local terms energy: -404.711170 where: bonds (distance) C4'-P energy: -73.957 bonds (distance) P-C4' energy: -100.166 flat angles C4'-P-C4' energy: -100.936 flat angles P-C4'-P energy: -56.477 tors. eta vs tors. theta energy: -73.175 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: 7 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -1078.746951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.746951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.746951 (E_RNA) where: Base-Base interactions energy: -696.689 where: short stacking energy: -300.244 Base-Backbone interact. energy: 3.573 local terms energy: -385.631053 where: bonds (distance) C4'-P energy: -94.435 bonds (distance) P-C4' energy: -100.398 flat angles C4'-P-C4' energy: -86.803 flat angles P-C4'-P energy: -39.992 tors. eta vs tors. theta energy: -64.004 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: 8 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1906.409492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.409492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.409492 (E_RNA) where: Base-Base interactions energy: -1333.213 where: short stacking energy: -553.128 Base-Backbone interact. energy: -2.751 local terms energy: -570.445437 where: bonds (distance) C4'-P energy: -98.082 bonds (distance) P-C4' energy: -115.670 flat angles C4'-P-C4' energy: -113.433 flat angles P-C4'-P energy: -84.490 tors. eta vs tors. theta energy: -158.770 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: 2, replica: 3 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1869.021114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.021114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.021114 (E_RNA) where: Base-Base interactions energy: -1304.162 where: short stacking energy: -547.633 Base-Backbone interact. energy: -1.136 local terms energy: -563.722694 where: bonds (distance) C4'-P energy: -104.886 bonds (distance) P-C4' energy: -118.084 flat angles C4'-P-C4' energy: -111.743 flat angles P-C4'-P energy: -78.510 tors. eta vs tors. theta energy: -150.499 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: 2 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1846.888891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.888891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.888891 (E_RNA) where: Base-Base interactions energy: -1289.351 where: short stacking energy: -535.920 Base-Backbone interact. energy: -1.595 local terms energy: -555.943083 where: bonds (distance) C4'-P energy: -86.789 bonds (distance) P-C4' energy: -115.878 flat angles C4'-P-C4' energy: -110.562 flat angles P-C4'-P energy: -82.133 tors. eta vs tors. theta energy: -160.581 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: 4, replica: 9 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1749.448335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.448335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.448335 (E_RNA) where: Base-Base interactions energy: -1233.322 where: short stacking energy: -505.967 Base-Backbone interact. energy: -1.767 local terms energy: -514.359417 where: bonds (distance) C4'-P energy: -83.527 bonds (distance) P-C4' energy: -110.958 flat angles C4'-P-C4' energy: -107.276 flat angles P-C4'-P energy: -75.260 tors. eta vs tors. theta energy: -137.339 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: 1 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1759.785609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.785609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.785609 (E_RNA) where: Base-Base interactions energy: -1253.592 where: short stacking energy: -521.143 Base-Backbone interact. energy: 4.182 local terms energy: -510.375972 where: bonds (distance) C4'-P energy: -98.827 bonds (distance) P-C4' energy: -85.297 flat angles C4'-P-C4' energy: -104.201 flat angles P-C4'-P energy: -74.517 tors. eta vs tors. theta energy: -147.534 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: 6, replica: 4 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1672.782148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.782148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.782148 (E_RNA) where: Base-Base interactions energy: -1173.474 where: short stacking energy: -480.236 Base-Backbone interact. energy: -2.128 local terms energy: -497.179868 where: bonds (distance) C4'-P energy: -84.283 bonds (distance) P-C4' energy: -100.155 flat angles C4'-P-C4' energy: -105.553 flat angles P-C4'-P energy: -76.709 tors. eta vs tors. theta energy: -130.479 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: 7, replica: 5 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1528.438683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.438683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.438683 (E_RNA) where: Base-Base interactions energy: -1057.573 where: short stacking energy: -444.353 Base-Backbone interact. energy: -1.443 local terms energy: -469.423317 where: bonds (distance) C4'-P energy: -77.422 bonds (distance) P-C4' energy: -93.135 flat angles C4'-P-C4' energy: -109.985 flat angles P-C4'-P energy: -67.288 tors. eta vs tors. theta energy: -121.593 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: 10 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1271.414472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.414472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.414472 (E_RNA) where: Base-Base interactions energy: -822.709 where: short stacking energy: -361.017 Base-Backbone interact. energy: -0.364 local terms energy: -448.341639 where: bonds (distance) C4'-P energy: -87.325 bonds (distance) P-C4' energy: -107.192 flat angles C4'-P-C4' energy: -99.699 flat angles P-C4'-P energy: -68.829 tors. eta vs tors. theta energy: -85.296 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: 9, replica: 7 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1154.657458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.657458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.657458 (E_RNA) where: Base-Base interactions energy: -741.715 where: short stacking energy: -334.090 Base-Backbone interact. energy: -1.628 local terms energy: -411.314127 where: bonds (distance) C4'-P energy: -84.497 bonds (distance) P-C4' energy: -110.116 flat angles C4'-P-C4' energy: -85.752 flat angles P-C4'-P energy: -60.694 tors. eta vs tors. theta energy: -70.255 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: 10, replica: 6 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -1103.169548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.169548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.169548 (E_RNA) where: Base-Base interactions energy: -716.089 where: short stacking energy: -313.689 Base-Backbone interact. energy: 1.549 local terms energy: -388.629448 where: bonds (distance) C4'-P energy: -81.741 bonds (distance) P-C4' energy: -106.905 flat angles C4'-P-C4' energy: -79.628 flat angles P-C4'-P energy: -57.164 tors. eta vs tors. theta energy: -63.191 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: 1, replica: 8 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1927.288165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.288165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.288165 (E_RNA) where: Base-Base interactions energy: -1339.626 where: short stacking energy: -548.678 Base-Backbone interact. energy: -0.722 local terms energy: -586.940225 where: bonds (distance) C4'-P energy: -106.791 bonds (distance) P-C4' energy: -116.966 flat angles C4'-P-C4' energy: -117.582 flat angles P-C4'-P energy: -91.369 tors. eta vs tors. theta energy: -154.232 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: 2, replica: 2 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1847.243029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.243029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.243029 (E_RNA) where: Base-Base interactions energy: -1283.936 where: short stacking energy: -531.734 Base-Backbone interact. energy: -1.292 local terms energy: -562.014651 where: bonds (distance) C4'-P energy: -111.944 bonds (distance) P-C4' energy: -110.014 flat angles C4'-P-C4' energy: -115.857 flat angles P-C4'-P energy: -68.017 tors. eta vs tors. theta energy: -156.184 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: 3, replica: 3 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1827.900364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.900364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.900364 (E_RNA) where: Base-Base interactions energy: -1302.738 where: short stacking energy: -530.204 Base-Backbone interact. energy: -1.580 local terms energy: -523.582399 where: bonds (distance) C4'-P energy: -81.848 bonds (distance) P-C4' energy: -104.805 flat angles C4'-P-C4' energy: -112.153 flat angles P-C4'-P energy: -80.110 tors. eta vs tors. theta energy: -144.666 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: 9 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1754.112347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.112347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.112347 (E_RNA) where: Base-Base interactions energy: -1218.868 where: short stacking energy: -491.244 Base-Backbone interact. energy: -1.193 local terms energy: -534.051776 where: bonds (distance) C4'-P energy: -100.087 bonds (distance) P-C4' energy: -104.661 flat angles C4'-P-C4' energy: -116.627 flat angles P-C4'-P energy: -69.030 tors. eta vs tors. theta energy: -143.646 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: 1 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1751.214589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.214589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.214589 (E_RNA) where: Base-Base interactions energy: -1230.580 where: short stacking energy: -525.628 Base-Backbone interact. energy: 1.237 local terms energy: -521.871700 where: bonds (distance) C4'-P energy: -93.022 bonds (distance) P-C4' energy: -102.295 flat angles C4'-P-C4' energy: -109.165 flat angles P-C4'-P energy: -72.703 tors. eta vs tors. theta energy: -144.687 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: 4 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1654.336233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.336233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.336233 (E_RNA) where: Base-Base interactions energy: -1133.060 where: short stacking energy: -479.203 Base-Backbone interact. energy: 6.089 local terms energy: -527.365721 where: bonds (distance) C4'-P energy: -101.751 bonds (distance) P-C4' energy: -110.939 flat angles C4'-P-C4' energy: -107.005 flat angles P-C4'-P energy: -74.911 tors. eta vs tors. theta energy: -132.759 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: 5 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1535.339945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.339945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.339945 (E_RNA) where: Base-Base interactions energy: -1051.535 where: short stacking energy: -433.888 Base-Backbone interact. energy: -3.475 local terms energy: -480.329512 where: bonds (distance) C4'-P energy: -80.835 bonds (distance) P-C4' energy: -93.828 flat angles C4'-P-C4' energy: -108.169 flat angles P-C4'-P energy: -82.102 tors. eta vs tors. theta energy: -115.395 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: 8, replica: 10 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1279.363947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.363947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.363947 (E_RNA) where: Base-Base interactions energy: -837.761 where: short stacking energy: -353.324 Base-Backbone interact. energy: 2.073 local terms energy: -443.676700 where: bonds (distance) C4'-P energy: -77.339 bonds (distance) P-C4' energy: -114.061 flat angles C4'-P-C4' energy: -104.594 flat angles P-C4'-P energy: -66.990 tors. eta vs tors. theta energy: -80.693 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: 9, replica: 7 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1158.245700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.245700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.245700 (E_RNA) where: Base-Base interactions energy: -734.510 where: short stacking energy: -328.807 Base-Backbone interact. energy: -1.349 local terms energy: -422.387364 where: bonds (distance) C4'-P energy: -89.601 bonds (distance) P-C4' energy: -102.183 flat angles C4'-P-C4' energy: -96.383 flat angles P-C4'-P energy: -62.995 tors. eta vs tors. theta energy: -71.224 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: 10, replica: 6 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -1104.854942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.854942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.854942 (E_RNA) where: Base-Base interactions energy: -701.910 where: short stacking energy: -311.933 Base-Backbone interact. energy: -0.374 local terms energy: -402.571186 where: bonds (distance) C4'-P energy: -90.667 bonds (distance) P-C4' energy: -99.028 flat angles C4'-P-C4' energy: -78.944 flat angles P-C4'-P energy: -64.279 tors. eta vs tors. theta energy: -69.653 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: 1, replica: 8 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1924.754822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.754822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.754822 (E_RNA) where: Base-Base interactions energy: -1345.936 where: short stacking energy: -550.951 Base-Backbone interact. energy: -0.760 local terms energy: -578.059133 where: bonds (distance) C4'-P energy: -106.355 bonds (distance) P-C4' energy: -110.480 flat angles C4'-P-C4' energy: -116.601 flat angles P-C4'-P energy: -89.655 tors. eta vs tors. theta energy: -154.968 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: 2 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1898.213438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.213438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.213438 (E_RNA) where: Base-Base interactions energy: -1336.635 where: short stacking energy: -536.495 Base-Backbone interact. energy: -0.323 local terms energy: -561.255701 where: bonds (distance) C4'-P energy: -90.576 bonds (distance) P-C4' energy: -111.555 flat angles C4'-P-C4' energy: -118.907 flat angles P-C4'-P energy: -81.286 tors. eta vs tors. theta energy: -158.932 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: 3 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1837.481398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.481398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.481398 (E_RNA) where: Base-Base interactions energy: -1298.108 where: short stacking energy: -539.349 Base-Backbone interact. energy: 2.685 local terms energy: -542.058342 where: bonds (distance) C4'-P energy: -100.879 bonds (distance) P-C4' energy: -106.563 flat angles C4'-P-C4' energy: -113.722 flat angles P-C4'-P energy: -71.550 tors. eta vs tors. theta energy: -149.344 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: 4, replica: 9 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1767.119902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.119902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.119902 (E_RNA) where: Base-Base interactions energy: -1219.534 where: short stacking energy: -494.924 Base-Backbone interact. energy: -2.118 local terms energy: -545.468493 where: bonds (distance) C4'-P energy: -94.703 bonds (distance) P-C4' energy: -113.847 flat angles C4'-P-C4' energy: -117.813 flat angles P-C4'-P energy: -71.726 tors. eta vs tors. theta energy: -147.380 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: 1 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1767.231192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.231192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.231192 (E_RNA) where: Base-Base interactions energy: -1246.337 where: short stacking energy: -512.002 Base-Backbone interact. energy: 5.536 local terms energy: -526.430839 where: bonds (distance) C4'-P energy: -97.372 bonds (distance) P-C4' energy: -97.009 flat angles C4'-P-C4' energy: -116.856 flat angles P-C4'-P energy: -72.142 tors. eta vs tors. theta energy: -143.053 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: 4 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1685.634582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.634582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.634582 (E_RNA) where: Base-Base interactions energy: -1180.146 where: short stacking energy: -488.679 Base-Backbone interact. energy: 1.362 local terms energy: -506.850946 where: bonds (distance) C4'-P energy: -80.129 bonds (distance) P-C4' energy: -109.181 flat angles C4'-P-C4' energy: -105.360 flat angles P-C4'-P energy: -77.829 tors. eta vs tors. theta energy: -134.352 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: 5 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1493.107195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.107195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.107195 (E_RNA) where: Base-Base interactions energy: -1018.871 where: short stacking energy: -430.996 Base-Backbone interact. energy: -2.667 local terms energy: -471.569522 where: bonds (distance) C4'-P energy: -87.432 bonds (distance) P-C4' energy: -105.669 flat angles C4'-P-C4' energy: -96.220 flat angles P-C4'-P energy: -64.998 tors. eta vs tors. theta energy: -117.251 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: 8, replica: 10 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1295.749698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.749698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.749698 (E_RNA) where: Base-Base interactions energy: -865.589 where: short stacking energy: -376.772 Base-Backbone interact. energy: 3.390 local terms energy: -433.550853 where: bonds (distance) C4'-P energy: -83.724 bonds (distance) P-C4' energy: -93.201 flat angles C4'-P-C4' energy: -113.415 flat angles P-C4'-P energy: -68.248 tors. eta vs tors. theta energy: -74.964 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: 9, replica: 6 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1140.835957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.835957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.835957 (E_RNA) where: Base-Base interactions energy: -740.254 where: short stacking energy: -340.838 Base-Backbone interact. energy: 0.683 local terms energy: -401.265710 where: bonds (distance) C4'-P energy: -77.147 bonds (distance) P-C4' energy: -107.409 flat angles C4'-P-C4' energy: -97.203 flat angles P-C4'-P energy: -57.133 tors. eta vs tors. theta energy: -62.374 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: 7 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -1088.166776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.166776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.166776 (E_RNA) where: Base-Base interactions energy: -682.095 where: short stacking energy: -310.741 Base-Backbone interact. energy: 0.806 local terms energy: -406.877809 where: bonds (distance) C4'-P energy: -96.628 bonds (distance) P-C4' energy: -108.825 flat angles C4'-P-C4' energy: -87.727 flat angles P-C4'-P energy: -60.376 tors. eta vs tors. theta energy: -53.322 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: 8 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1933.718249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.718249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.718249 (E_RNA) where: Base-Base interactions energy: -1353.496 where: short stacking energy: -549.673 Base-Backbone interact. energy: -1.446 local terms energy: -578.776927 where: bonds (distance) C4'-P energy: -102.397 bonds (distance) P-C4' energy: -113.072 flat angles C4'-P-C4' energy: -125.336 flat angles P-C4'-P energy: -75.250 tors. eta vs tors. theta energy: -162.723 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: 2 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1891.025006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.025006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.025006 (E_RNA) where: Base-Base interactions energy: -1322.577 where: short stacking energy: -549.360 Base-Backbone interact. energy: -3.031 local terms energy: -565.417178 where: bonds (distance) C4'-P energy: -98.409 bonds (distance) P-C4' energy: -111.602 flat angles C4'-P-C4' energy: -117.486 flat angles P-C4'-P energy: -80.850 tors. eta vs tors. theta energy: -157.070 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: 3 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1861.692648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.692648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.692648 (E_RNA) where: Base-Base interactions energy: -1301.607 where: short stacking energy: -544.227 Base-Backbone interact. energy: -2.780 local terms energy: -557.305477 where: bonds (distance) C4'-P energy: -88.680 bonds (distance) P-C4' energy: -112.296 flat angles C4'-P-C4' energy: -118.059 flat angles P-C4'-P energy: -80.224 tors. eta vs tors. theta energy: -158.046 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: 4, replica: 1 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1797.651243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.651243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.651243 (E_RNA) where: Base-Base interactions energy: -1260.557 where: short stacking energy: -526.712 Base-Backbone interact. energy: 2.586 local terms energy: -539.680103 where: bonds (distance) C4'-P energy: -97.779 bonds (distance) P-C4' energy: -98.486 flat angles C4'-P-C4' energy: -112.465 flat angles P-C4'-P energy: -81.884 tors. eta vs tors. theta energy: -149.066 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: 9 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1733.015599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.015599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.015599 (E_RNA) where: Base-Base interactions energy: -1195.903 where: short stacking energy: -491.603 Base-Backbone interact. energy: -1.459 local terms energy: -535.654034 where: bonds (distance) C4'-P energy: -92.857 bonds (distance) P-C4' energy: -113.291 flat angles C4'-P-C4' energy: -110.355 flat angles P-C4'-P energy: -79.234 tors. eta vs tors. theta energy: -139.917 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: 4 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1716.326343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.326343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.326343 (E_RNA) where: Base-Base interactions energy: -1192.672 where: short stacking energy: -507.312 Base-Backbone interact. energy: -0.956 local terms energy: -522.698110 where: bonds (distance) C4'-P energy: -91.544 bonds (distance) P-C4' energy: -101.291 flat angles C4'-P-C4' energy: -108.014 flat angles P-C4'-P energy: -80.596 tors. eta vs tors. theta energy: -141.254 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: 7, replica: 5 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1474.663060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.663060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.663060 (E_RNA) where: Base-Base interactions energy: -1019.631 where: short stacking energy: -417.839 Base-Backbone interact. energy: 2.157 local terms energy: -457.189141 where: bonds (distance) C4'-P energy: -79.729 bonds (distance) P-C4' energy: -103.325 flat angles C4'-P-C4' energy: -104.787 flat angles P-C4'-P energy: -69.009 tors. eta vs tors. theta energy: -100.339 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: 10 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1296.335503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.335503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.335503 (E_RNA) where: Base-Base interactions energy: -855.113 where: short stacking energy: -379.021 Base-Backbone interact. energy: 0.524 local terms energy: -441.746559 where: bonds (distance) C4'-P energy: -82.012 bonds (distance) P-C4' energy: -101.823 flat angles C4'-P-C4' energy: -108.413 flat angles P-C4'-P energy: -64.183 tors. eta vs tors. theta energy: -85.315 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: 9, replica: 6 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1152.274798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.274798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.274798 (E_RNA) where: Base-Base interactions energy: -750.356 where: short stacking energy: -325.351 Base-Backbone interact. energy: -0.892 local terms energy: -401.026965 where: bonds (distance) C4'-P energy: -95.013 bonds (distance) P-C4' energy: -105.460 flat angles C4'-P-C4' energy: -90.460 flat angles P-C4'-P energy: -52.142 tors. eta vs tors. theta energy: -57.952 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: 10, replica: 7 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -1092.231730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.231730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.231730 (E_RNA) where: Base-Base interactions energy: -708.773 where: short stacking energy: -310.189 Base-Backbone interact. energy: 0.549 local terms energy: -384.007878 where: bonds (distance) C4'-P energy: -96.619 bonds (distance) P-C4' energy: -101.182 flat angles C4'-P-C4' energy: -89.248 flat angles P-C4'-P energy: -47.802 tors. eta vs tors. theta energy: -49.157 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: 2 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1894.588714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.588714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.588714 (E_RNA) where: Base-Base interactions energy: -1347.770 where: short stacking energy: -560.110 Base-Backbone interact. energy: -1.818 local terms energy: -545.000399 where: bonds (distance) C4'-P energy: -90.851 bonds (distance) P-C4' energy: -104.411 flat angles C4'-P-C4' energy: -105.546 flat angles P-C4'-P energy: -84.119 tors. eta vs tors. theta energy: -160.074 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: 8 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1935.994968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.994968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.994968 (E_RNA) where: Base-Base interactions energy: -1347.242 where: short stacking energy: -568.074 Base-Backbone interact. energy: 0.101 local terms energy: -588.854547 where: bonds (distance) C4'-P energy: -107.016 bonds (distance) P-C4' energy: -114.092 flat angles C4'-P-C4' energy: -122.894 flat angles P-C4'-P energy: -81.043 tors. eta vs tors. theta energy: -163.810 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: 3, replica: 3 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1866.449466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.449466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.449466 (E_RNA) where: Base-Base interactions energy: -1321.810 where: short stacking energy: -550.498 Base-Backbone interact. energy: -2.312 local terms energy: -542.326715 where: bonds (distance) C4'-P energy: -87.491 bonds (distance) P-C4' energy: -104.207 flat angles C4'-P-C4' energy: -107.398 flat angles P-C4'-P energy: -85.093 tors. eta vs tors. theta energy: -158.138 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: 4, replica: 1 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1759.211243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.211243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.211243 (E_RNA) where: Base-Base interactions energy: -1220.142 where: short stacking energy: -495.493 Base-Backbone interact. energy: -0.225 local terms energy: -538.843795 where: bonds (distance) C4'-P energy: -103.809 bonds (distance) P-C4' energy: -110.075 flat angles C4'-P-C4' energy: -105.109 flat angles P-C4'-P energy: -83.179 tors. eta vs tors. theta energy: -136.672 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: 5, replica: 4 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1750.800786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.800786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.800786 (E_RNA) where: Base-Base interactions energy: -1212.194 where: short stacking energy: -511.322 Base-Backbone interact. energy: -1.149 local terms energy: -537.457110 where: bonds (distance) C4'-P energy: -91.348 bonds (distance) P-C4' energy: -110.364 flat angles C4'-P-C4' energy: -122.145 flat angles P-C4'-P energy: -68.316 tors. eta vs tors. theta energy: -145.284 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: 6, replica: 9 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1707.543203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.543203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.543203 (E_RNA) where: Base-Base interactions energy: -1183.116 where: short stacking energy: -488.590 Base-Backbone interact. energy: 1.237 local terms energy: -525.664703 where: bonds (distance) C4'-P energy: -88.479 bonds (distance) P-C4' energy: -115.225 flat angles C4'-P-C4' energy: -106.211 flat angles P-C4'-P energy: -78.449 tors. eta vs tors. theta energy: -137.300 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: 5 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1481.999489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.999489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.999489 (E_RNA) where: Base-Base interactions energy: -1004.104 where: short stacking energy: -424.799 Base-Backbone interact. energy: -0.418 local terms energy: -477.478373 where: bonds (distance) C4'-P energy: -93.944 bonds (distance) P-C4' energy: -103.629 flat angles C4'-P-C4' energy: -111.307 flat angles P-C4'-P energy: -55.701 tors. eta vs tors. theta energy: -112.898 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: 8, replica: 10 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1311.453723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.453723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.453723 (E_RNA) where: Base-Base interactions energy: -856.863 where: short stacking energy: -395.607 Base-Backbone interact. energy: 0.129 local terms energy: -454.719437 where: bonds (distance) C4'-P energy: -94.228 bonds (distance) P-C4' energy: -91.572 flat angles C4'-P-C4' energy: -107.407 flat angles P-C4'-P energy: -73.758 tors. eta vs tors. theta energy: -87.754 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: 9, replica: 6 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1123.400161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.400161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.400161 (E_RNA) where: Base-Base interactions energy: -717.832 where: short stacking energy: -319.427 Base-Backbone interact. energy: -0.860 local terms energy: -404.707623 where: bonds (distance) C4'-P energy: -91.347 bonds (distance) P-C4' energy: -104.715 flat angles C4'-P-C4' energy: -90.759 flat angles P-C4'-P energy: -59.808 tors. eta vs tors. theta energy: -58.079 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: 10, replica: 7 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -1095.076684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.076684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.076684 (E_RNA) where: Base-Base interactions energy: -706.423 where: short stacking energy: -308.826 Base-Backbone interact. energy: 3.046 local terms energy: -391.699766 where: bonds (distance) C4'-P energy: -83.101 bonds (distance) P-C4' energy: -107.452 flat angles C4'-P-C4' energy: -83.847 flat angles P-C4'-P energy: -58.332 tors. eta vs tors. theta energy: -58.969 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: 1, replica: 2 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1919.848176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.848176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.848176 (E_RNA) where: Base-Base interactions energy: -1335.352 where: short stacking energy: -560.618 Base-Backbone interact. energy: 2.349 local terms energy: -586.844713 where: bonds (distance) C4'-P energy: -104.627 bonds (distance) P-C4' energy: -107.985 flat angles C4'-P-C4' energy: -117.936 flat angles P-C4'-P energy: -90.833 tors. eta vs tors. theta energy: -165.465 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: 2, replica: 8 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1911.612697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.612697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.612697 (E_RNA) where: Base-Base interactions energy: -1332.477 where: short stacking energy: -558.591 Base-Backbone interact. energy: 2.555 local terms energy: -581.689978 where: bonds (distance) C4'-P energy: -111.690 bonds (distance) P-C4' energy: -110.808 flat angles C4'-P-C4' energy: -117.980 flat angles P-C4'-P energy: -79.353 tors. eta vs tors. theta energy: -161.860 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: 3 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1839.267546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.267546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.267546 (E_RNA) where: Base-Base interactions energy: -1286.325 where: short stacking energy: -521.530 Base-Backbone interact. energy: -1.051 local terms energy: -551.891520 where: bonds (distance) C4'-P energy: -99.943 bonds (distance) P-C4' energy: -116.191 flat angles C4'-P-C4' energy: -121.407 flat angles P-C4'-P energy: -67.485 tors. eta vs tors. theta energy: -146.866 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: 423 Temperature: 1.050000 Total energy: -1796.833824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.833824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.833824 (E_RNA) where: Base-Base interactions energy: -1251.826 where: short stacking energy: -524.275 Base-Backbone interact. energy: 1.301 local terms energy: -546.308571 where: bonds (distance) C4'-P energy: -85.321 bonds (distance) P-C4' energy: -113.205 flat angles C4'-P-C4' energy: -110.972 flat angles P-C4'-P energy: -88.775 tors. eta vs tors. theta energy: -148.035 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: 4 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1741.459675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.459675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.459675 (E_RNA) where: Base-Base interactions energy: -1210.557 where: short stacking energy: -511.488 Base-Backbone interact. energy: -0.409 local terms energy: -530.493930 where: bonds (distance) C4'-P energy: -96.371 bonds (distance) P-C4' energy: -102.578 flat angles C4'-P-C4' energy: -116.780 flat angles P-C4'-P energy: -69.823 tors. eta vs tors. theta energy: -144.942 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: 9 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1690.873378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.873378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.873378 (E_RNA) where: Base-Base interactions energy: -1171.361 where: short stacking energy: -489.920 Base-Backbone interact. energy: -1.662 local terms energy: -517.850396 where: bonds (distance) C4'-P energy: -96.168 bonds (distance) P-C4' energy: -92.679 flat angles C4'-P-C4' energy: -111.999 flat angles P-C4'-P energy: -80.348 tors. eta vs tors. theta energy: -136.656 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: 5 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1472.741847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.741847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.741847 (E_RNA) where: Base-Base interactions energy: -1001.474 where: short stacking energy: -417.525 Base-Backbone interact. energy: 0.515 local terms energy: -471.782813 where: bonds (distance) C4'-P energy: -88.831 bonds (distance) P-C4' energy: -104.319 flat angles C4'-P-C4' energy: -104.418 flat angles P-C4'-P energy: -69.794 tors. eta vs tors. theta energy: -104.421 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: 8, replica: 10 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1323.165964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.165964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.165964 (E_RNA) where: Base-Base interactions energy: -872.334 where: short stacking energy: -380.345 Base-Backbone interact. energy: -0.859 local terms energy: -449.973357 where: bonds (distance) C4'-P energy: -90.457 bonds (distance) P-C4' energy: -115.130 flat angles C4'-P-C4' energy: -91.596 flat angles P-C4'-P energy: -69.361 tors. eta vs tors. theta energy: -83.428 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: 423 Temperature: 1.300000 Total energy: -1162.541863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.541863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.541863 (E_RNA) where: Base-Base interactions energy: -769.115 where: short stacking energy: -325.994 Base-Backbone interact. energy: 2.165 local terms energy: -395.592306 where: bonds (distance) C4'-P energy: -77.850 bonds (distance) P-C4' energy: -97.169 flat angles C4'-P-C4' energy: -95.049 flat angles P-C4'-P energy: -62.827 tors. eta vs tors. theta energy: -62.699 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: 10, replica: 7 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -1108.530265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.530265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.530265 (E_RNA) where: Base-Base interactions energy: -718.325 where: short stacking energy: -319.448 Base-Backbone interact. energy: -0.373 local terms energy: -389.832377 where: bonds (distance) C4'-P energy: -74.679 bonds (distance) P-C4' energy: -99.785 flat angles C4'-P-C4' energy: -92.951 flat angles P-C4'-P energy: -60.089 tors. eta vs tors. theta energy: -62.328 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: 1, replica: 2 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1924.767447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.767447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.767447 (E_RNA) where: Base-Base interactions energy: -1344.287 where: short stacking energy: -565.068 Base-Backbone interact. energy: -0.505 local terms energy: -579.976174 where: bonds (distance) C4'-P energy: -99.347 bonds (distance) P-C4' energy: -122.726 flat angles C4'-P-C4' energy: -118.983 flat angles P-C4'-P energy: -80.705 tors. eta vs tors. theta energy: -158.215 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: 2, replica: 8 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1872.685477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.685477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.685477 (E_RNA) where: Base-Base interactions energy: -1306.206 where: short stacking energy: -547.054 Base-Backbone interact. energy: -1.693 local terms energy: -564.786830 where: bonds (distance) C4'-P energy: -101.421 bonds (distance) P-C4' energy: -107.128 flat angles C4'-P-C4' energy: -120.896 flat angles P-C4'-P energy: -82.904 tors. eta vs tors. theta energy: -152.437 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: 424 Temperature: 1.000000 Total energy: -1825.487648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.487648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.487648 (E_RNA) where: Base-Base interactions energy: -1274.873 where: short stacking energy: -534.232 Base-Backbone interact. energy: -1.464 local terms energy: -549.151491 where: bonds (distance) C4'-P energy: -102.314 bonds (distance) P-C4' energy: -116.547 flat angles C4'-P-C4' energy: -110.698 flat angles P-C4'-P energy: -73.915 tors. eta vs tors. theta energy: -145.677 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: 1 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1757.590293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.590293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.590293 (E_RNA) where: Base-Base interactions energy: -1228.551 where: short stacking energy: -513.837 Base-Backbone interact. energy: -0.491 local terms energy: -528.548700 where: bonds (distance) C4'-P energy: -86.747 bonds (distance) P-C4' energy: -112.831 flat angles C4'-P-C4' energy: -109.900 flat angles P-C4'-P energy: -75.688 tors. eta vs tors. theta energy: -143.383 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: 5, replica: 9 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1699.000984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.000984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.000984 (E_RNA) where: Base-Base interactions energy: -1155.368 where: short stacking energy: -492.216 Base-Backbone interact. energy: -1.308 local terms energy: -542.324682 where: bonds (distance) C4'-P energy: -92.017 bonds (distance) P-C4' energy: -101.589 flat angles C4'-P-C4' energy: -119.590 flat angles P-C4'-P energy: -80.686 tors. eta vs tors. theta energy: -148.443 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: 6, replica: 4 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1670.605363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.605363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.605363 (E_RNA) where: Base-Base interactions energy: -1178.614 where: short stacking energy: -485.367 Base-Backbone interact. energy: -0.959 local terms energy: -491.032135 where: bonds (distance) C4'-P energy: -76.088 bonds (distance) P-C4' energy: -103.815 flat angles C4'-P-C4' energy: -102.911 flat angles P-C4'-P energy: -66.456 tors. eta vs tors. theta energy: -141.762 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: 5 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1518.310306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.310306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.310306 (E_RNA) where: Base-Base interactions energy: -1048.920 where: short stacking energy: -453.183 Base-Backbone interact. energy: 4.050 local terms energy: -473.440503 where: bonds (distance) C4'-P energy: -89.318 bonds (distance) P-C4' energy: -87.768 flat angles C4'-P-C4' energy: -102.282 flat angles P-C4'-P energy: -70.361 tors. eta vs tors. theta energy: -123.711 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: 8, replica: 10 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1319.235259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.235259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.235259 (E_RNA) where: Base-Base interactions energy: -894.161 where: short stacking energy: -372.180 Base-Backbone interact. energy: -0.505 local terms energy: -424.569662 where: bonds (distance) C4'-P energy: -93.761 bonds (distance) P-C4' energy: -97.065 flat angles C4'-P-C4' energy: -90.090 flat angles P-C4'-P energy: -64.035 tors. eta vs tors. theta energy: -79.619 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: 9, replica: 6 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1167.235019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.235019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.235019 (E_RNA) where: Base-Base interactions energy: -765.917 where: short stacking energy: -330.112 Base-Backbone interact. energy: 4.982 local terms energy: -406.299812 where: bonds (distance) C4'-P energy: -86.571 bonds (distance) P-C4' energy: -100.276 flat angles C4'-P-C4' energy: -76.249 flat angles P-C4'-P energy: -71.832 tors. eta vs tors. theta energy: -71.373 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: 7 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -1112.343737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.343737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.343737 (E_RNA) where: Base-Base interactions energy: -734.418 where: short stacking energy: -312.030 Base-Backbone interact. energy: 1.627 local terms energy: -379.553511 where: bonds (distance) C4'-P energy: -73.823 bonds (distance) P-C4' energy: -107.333 flat angles C4'-P-C4' energy: -79.264 flat angles P-C4'-P energy: -53.145 tors. eta vs tors. theta energy: -65.988 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: 2 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1929.514863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.514863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.514863 (E_RNA) where: Base-Base interactions energy: -1365.573 where: short stacking energy: -567.201 Base-Backbone interact. energy: 1.955 local terms energy: -565.896497 where: bonds (distance) C4'-P energy: -89.307 bonds (distance) P-C4' energy: -116.956 flat angles C4'-P-C4' energy: -117.872 flat angles P-C4'-P energy: -81.364 tors. eta vs tors. theta energy: -160.398 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: 2, replica: 8 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1894.108363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.108363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.108363 (E_RNA) where: Base-Base interactions energy: -1327.657 where: short stacking energy: -540.454 Base-Backbone interact. energy: -2.972 local terms energy: -563.478752 where: bonds (distance) C4'-P energy: -89.853 bonds (distance) P-C4' energy: -114.302 flat angles C4'-P-C4' energy: -117.083 flat angles P-C4'-P energy: -84.732 tors. eta vs tors. theta energy: -157.509 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: 3, replica: 3 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1820.740754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.740754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.740754 (E_RNA) where: Base-Base interactions energy: -1271.711 where: short stacking energy: -526.374 Base-Backbone interact. energy: 1.576 local terms energy: -550.605827 where: bonds (distance) C4'-P energy: -104.525 bonds (distance) P-C4' energy: -109.261 flat angles C4'-P-C4' energy: -119.629 flat angles P-C4'-P energy: -69.605 tors. eta vs tors. theta energy: -147.587 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: 4, replica: 1 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1805.271933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.271933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.271933 (E_RNA) where: Base-Base interactions energy: -1264.868 where: short stacking energy: -536.042 Base-Backbone interact. energy: 5.665 local terms energy: -546.068831 where: bonds (distance) C4'-P energy: -90.937 bonds (distance) P-C4' energy: -104.291 flat angles C4'-P-C4' energy: -119.390 flat angles P-C4'-P energy: -79.976 tors. eta vs tors. theta energy: -151.474 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: 9 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1721.352521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.352521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.352521 (E_RNA) where: Base-Base interactions energy: -1197.166 where: short stacking energy: -499.472 Base-Backbone interact. energy: 1.419 local terms energy: -525.605766 where: bonds (distance) C4'-P energy: -90.937 bonds (distance) P-C4' energy: -105.612 flat angles C4'-P-C4' energy: -110.969 flat angles P-C4'-P energy: -77.092 tors. eta vs tors. theta energy: -140.997 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: 6, replica: 4 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1668.220594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.220594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.220594 (E_RNA) where: Base-Base interactions energy: -1141.850 where: short stacking energy: -479.236 Base-Backbone interact. energy: 0.964 local terms energy: -527.334134 where: bonds (distance) C4'-P energy: -97.317 bonds (distance) P-C4' energy: -114.703 flat angles C4'-P-C4' energy: -102.767 flat angles P-C4'-P energy: -76.085 tors. eta vs tors. theta energy: -136.463 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: 5 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1533.517928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.517928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.517928 (E_RNA) where: Base-Base interactions energy: -1054.996 where: short stacking energy: -433.257 Base-Backbone interact. energy: -1.328 local terms energy: -477.194115 where: bonds (distance) C4'-P energy: -81.187 bonds (distance) P-C4' energy: -106.415 flat angles C4'-P-C4' energy: -103.956 flat angles P-C4'-P energy: -72.668 tors. eta vs tors. theta energy: -112.969 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: 10 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1275.108956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.108956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.108956 (E_RNA) where: Base-Base interactions energy: -844.185 where: short stacking energy: -377.425 Base-Backbone interact. energy: 5.629 local terms energy: -436.553152 where: bonds (distance) C4'-P energy: -89.654 bonds (distance) P-C4' energy: -84.569 flat angles C4'-P-C4' energy: -103.626 flat angles P-C4'-P energy: -69.096 tors. eta vs tors. theta energy: -89.608 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: 6 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1162.493650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.493650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.493650 (E_RNA) where: Base-Base interactions energy: -734.520 where: short stacking energy: -338.842 Base-Backbone interact. energy: -0.213 local terms energy: -427.760659 where: bonds (distance) C4'-P energy: -87.989 bonds (distance) P-C4' energy: -111.061 flat angles C4'-P-C4' energy: -90.760 flat angles P-C4'-P energy: -62.002 tors. eta vs tors. theta energy: -75.948 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: 7 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -1138.892028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.892028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.892028 (E_RNA) where: Base-Base interactions energy: -739.507 where: short stacking energy: -342.064 Base-Backbone interact. energy: 1.086 local terms energy: -400.470925 where: bonds (distance) C4'-P energy: -81.252 bonds (distance) P-C4' energy: -109.488 flat angles C4'-P-C4' energy: -91.057 flat angles P-C4'-P energy: -50.660 tors. eta vs tors. theta energy: -68.014 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: 1, replica: 2 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1920.511296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.511296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.511296 (E_RNA) where: Base-Base interactions energy: -1344.904 where: short stacking energy: -554.005 Base-Backbone interact. energy: -1.071 local terms energy: -574.535771 where: bonds (distance) C4'-P energy: -98.410 bonds (distance) P-C4' energy: -113.306 flat angles C4'-P-C4' energy: -120.567 flat angles P-C4'-P energy: -84.028 tors. eta vs tors. theta energy: -158.225 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: 8 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1904.434298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.434298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.434298 (E_RNA) where: Base-Base interactions energy: -1347.716 where: short stacking energy: -551.880 Base-Backbone interact. energy: 1.132 local terms energy: -557.849573 where: bonds (distance) C4'-P energy: -96.929 bonds (distance) P-C4' energy: -97.205 flat angles C4'-P-C4' energy: -122.217 flat angles P-C4'-P energy: -82.096 tors. eta vs tors. theta energy: -159.402 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: 3, replica: 1 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1814.262625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.262625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.262625 (E_RNA) where: Base-Base interactions energy: -1264.919 where: short stacking energy: -526.618 Base-Backbone interact. energy: -4.039 local terms energy: -545.305250 where: bonds (distance) C4'-P energy: -99.465 bonds (distance) P-C4' energy: -107.644 flat angles C4'-P-C4' energy: -113.310 flat angles P-C4'-P energy: -70.656 tors. eta vs tors. theta energy: -154.230 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: 4, replica: 3 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1792.019334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.019334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.019334 (E_RNA) where: Base-Base interactions energy: -1270.863 where: short stacking energy: -516.464 Base-Backbone interact. energy: -2.778 local terms energy: -518.378019 where: bonds (distance) C4'-P energy: -89.580 bonds (distance) P-C4' energy: -100.701 flat angles C4'-P-C4' energy: -113.675 flat angles P-C4'-P energy: -73.347 tors. eta vs tors. theta energy: -141.075 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: 5, replica: 9 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1714.650486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.650486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.650486 (E_RNA) where: Base-Base interactions energy: -1190.070 where: short stacking energy: -489.457 Base-Backbone interact. energy: 1.855 local terms energy: -526.435850 where: bonds (distance) C4'-P energy: -94.569 bonds (distance) P-C4' energy: -112.486 flat angles C4'-P-C4' energy: -114.060 flat angles P-C4'-P energy: -66.785 tors. eta vs tors. theta energy: -138.535 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: 6, replica: 4 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1664.387848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.387848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.387848 (E_RNA) where: Base-Base interactions energy: -1155.083 where: short stacking energy: -469.014 Base-Backbone interact. energy: -1.771 local terms energy: -507.534289 where: bonds (distance) C4'-P energy: -100.385 bonds (distance) P-C4' energy: -104.743 flat angles C4'-P-C4' energy: -106.876 flat angles P-C4'-P energy: -70.282 tors. eta vs tors. theta energy: -125.249 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: 7, replica: 5 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1483.169383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.169383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.169383 (E_RNA) where: Base-Base interactions energy: -1034.381 where: short stacking energy: -439.126 Base-Backbone interact. energy: -2.509 local terms energy: -446.279365 where: bonds (distance) C4'-P energy: -84.375 bonds (distance) P-C4' energy: -97.578 flat angles C4'-P-C4' energy: -106.640 flat angles P-C4'-P energy: -57.029 tors. eta vs tors. theta energy: -100.657 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: 8, replica: 10 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1328.745656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.745656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.745656 (E_RNA) where: Base-Base interactions energy: -921.236 where: short stacking energy: -378.857 Base-Backbone interact. energy: 4.621 local terms energy: -412.130571 where: bonds (distance) C4'-P energy: -77.042 bonds (distance) P-C4' energy: -116.841 flat angles C4'-P-C4' energy: -83.161 flat angles P-C4'-P energy: -58.528 tors. eta vs tors. theta energy: -76.558 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: 9, replica: 7 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1163.848664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.848664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.848664 (E_RNA) where: Base-Base interactions energy: -755.735 where: short stacking energy: -337.136 Base-Backbone interact. energy: 1.003 local terms energy: -409.117079 where: bonds (distance) C4'-P energy: -87.318 bonds (distance) P-C4' energy: -96.159 flat angles C4'-P-C4' energy: -96.758 flat angles P-C4'-P energy: -61.237 tors. eta vs tors. theta energy: -67.645 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: 6 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -1124.712927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.712927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.712927 (E_RNA) where: Base-Base interactions energy: -718.984 where: short stacking energy: -331.518 Base-Backbone interact. energy: -0.300 local terms energy: -405.428279 where: bonds (distance) C4'-P energy: -80.261 bonds (distance) P-C4' energy: -95.202 flat angles C4'-P-C4' energy: -96.070 flat angles P-C4'-P energy: -62.443 tors. eta vs tors. theta energy: -71.453 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: 2 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1922.793090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.793090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.793090 (E_RNA) where: Base-Base interactions energy: -1355.117 where: short stacking energy: -563.958 Base-Backbone interact. energy: -2.693 local terms energy: -564.982797 where: bonds (distance) C4'-P energy: -98.532 bonds (distance) P-C4' energy: -106.185 flat angles C4'-P-C4' energy: -122.479 flat angles P-C4'-P energy: -75.475 tors. eta vs tors. theta energy: -162.312 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: 8 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1894.622063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.622063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.622063 (E_RNA) where: Base-Base interactions energy: -1335.311 where: short stacking energy: -564.120 Base-Backbone interact. energy: -1.301 local terms energy: -558.010448 where: bonds (distance) C4'-P energy: -95.989 bonds (distance) P-C4' energy: -113.536 flat angles C4'-P-C4' energy: -114.500 flat angles P-C4'-P energy: -77.428 tors. eta vs tors. theta energy: -156.556 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: 3, replica: 1 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1816.223181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.223181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.223181 (E_RNA) where: Base-Base interactions energy: -1282.703 where: short stacking energy: -516.469 Base-Backbone interact. energy: 0.385 local terms energy: -533.904884 where: bonds (distance) C4'-P energy: -90.617 bonds (distance) P-C4' energy: -114.398 flat angles C4'-P-C4' energy: -110.951 flat angles P-C4'-P energy: -73.880 tors. eta vs tors. theta energy: -144.059 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: 4, replica: 3 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1817.492531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.492531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.492531 (E_RNA) where: Base-Base interactions energy: -1264.294 where: short stacking energy: -520.209 Base-Backbone interact. energy: -1.408 local terms energy: -551.790314 where: bonds (distance) C4'-P energy: -91.570 bonds (distance) P-C4' energy: -109.350 flat angles C4'-P-C4' energy: -121.829 flat angles P-C4'-P energy: -84.081 tors. eta vs tors. theta energy: -144.960 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: 5, replica: 9 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1722.828110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.828110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.828110 (E_RNA) where: Base-Base interactions energy: -1196.165 where: short stacking energy: -500.745 Base-Backbone interact. energy: 0.285 local terms energy: -526.948198 where: bonds (distance) C4'-P energy: -97.999 bonds (distance) P-C4' energy: -108.214 flat angles C4'-P-C4' energy: -107.510 flat angles P-C4'-P energy: -72.535 tors. eta vs tors. theta energy: -140.690 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: 4 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1681.658416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.658416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.658416 (E_RNA) where: Base-Base interactions energy: -1173.153 where: short stacking energy: -484.855 Base-Backbone interact. energy: -1.614 local terms energy: -506.890984 where: bonds (distance) C4'-P energy: -88.450 bonds (distance) P-C4' energy: -105.412 flat angles C4'-P-C4' energy: -106.305 flat angles P-C4'-P energy: -67.579 tors. eta vs tors. theta energy: -139.145 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: 5 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1513.912674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.912674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.912674 (E_RNA) where: Base-Base interactions energy: -1041.838 where: short stacking energy: -435.326 Base-Backbone interact. energy: 0.770 local terms energy: -472.843997 where: bonds (distance) C4'-P energy: -81.888 bonds (distance) P-C4' energy: -109.166 flat angles C4'-P-C4' energy: -102.160 flat angles P-C4'-P energy: -64.298 tors. eta vs tors. theta energy: -115.333 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: 8, replica: 10 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1261.121471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.121471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.121471 (E_RNA) where: Base-Base interactions energy: -827.351 where: short stacking energy: -355.147 Base-Backbone interact. energy: -2.453 local terms energy: -431.316784 where: bonds (distance) C4'-P energy: -89.269 bonds (distance) P-C4' energy: -101.722 flat angles C4'-P-C4' energy: -99.519 flat angles P-C4'-P energy: -64.029 tors. eta vs tors. theta energy: -76.777 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: 9, replica: 7 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1154.051500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.051500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.051500 (E_RNA) where: Base-Base interactions energy: -751.815 where: short stacking energy: -329.578 Base-Backbone interact. energy: -1.141 local terms energy: -401.095595 where: bonds (distance) C4'-P energy: -87.894 bonds (distance) P-C4' energy: -106.700 flat angles C4'-P-C4' energy: -95.671 flat angles P-C4'-P energy: -56.110 tors. eta vs tors. theta energy: -54.721 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: 6 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -1124.301639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.301639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.301639 (E_RNA) where: Base-Base interactions energy: -749.997 where: short stacking energy: -336.099 Base-Backbone interact. energy: 2.080 local terms energy: -376.384260 where: bonds (distance) C4'-P energy: -94.054 bonds (distance) P-C4' energy: -78.978 flat angles C4'-P-C4' energy: -81.511 flat angles P-C4'-P energy: -59.232 tors. eta vs tors. theta energy: -62.609 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: 2 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1913.509533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.509533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.509533 (E_RNA) where: Base-Base interactions energy: -1355.880 where: short stacking energy: -554.448 Base-Backbone interact. energy: 1.637 local terms energy: -559.266306 where: bonds (distance) C4'-P energy: -101.187 bonds (distance) P-C4' energy: -100.631 flat angles C4'-P-C4' energy: -117.264 flat angles P-C4'-P energy: -80.211 tors. eta vs tors. theta energy: -159.974 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: 2, replica: 8 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1884.397808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.397808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.397808 (E_RNA) where: Base-Base interactions energy: -1311.266 where: short stacking energy: -527.784 Base-Backbone interact. energy: -0.701 local terms energy: -572.430794 where: bonds (distance) C4'-P energy: -98.417 bonds (distance) P-C4' energy: -116.472 flat angles C4'-P-C4' energy: -123.521 flat angles P-C4'-P energy: -81.114 tors. eta vs tors. theta energy: -152.906 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: 3, replica: 3 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1829.641115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.641115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.641115 (E_RNA) where: Base-Base interactions energy: -1285.538 where: short stacking energy: -530.210 Base-Backbone interact. energy: -0.893 local terms energy: -543.210458 where: bonds (distance) C4'-P energy: -95.022 bonds (distance) P-C4' energy: -107.369 flat angles C4'-P-C4' energy: -115.783 flat angles P-C4'-P energy: -78.715 tors. eta vs tors. theta energy: -146.321 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: 1 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1800.269580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.269580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.269580 (E_RNA) where: Base-Base interactions energy: -1257.970 where: short stacking energy: -517.657 Base-Backbone interact. energy: -1.324 local terms energy: -540.975153 where: bonds (distance) C4'-P energy: -103.932 bonds (distance) P-C4' energy: -105.679 flat angles C4'-P-C4' energy: -118.114 flat angles P-C4'-P energy: -77.763 tors. eta vs tors. theta energy: -135.487 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: 5, replica: 9 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1728.059347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.059347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.059347 (E_RNA) where: Base-Base interactions energy: -1212.155 where: short stacking energy: -501.287 Base-Backbone interact. energy: -0.873 local terms energy: -515.031526 where: bonds (distance) C4'-P energy: -88.642 bonds (distance) P-C4' energy: -111.221 flat angles C4'-P-C4' energy: -113.577 flat angles P-C4'-P energy: -62.377 tors. eta vs tors. theta energy: -139.214 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: 6, replica: 4 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1681.676402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.676402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.676402 (E_RNA) where: Base-Base interactions energy: -1175.292 where: short stacking energy: -466.957 Base-Backbone interact. energy: -2.047 local terms energy: -504.337720 where: bonds (distance) C4'-P energy: -93.109 bonds (distance) P-C4' energy: -108.241 flat angles C4'-P-C4' energy: -102.524 flat angles P-C4'-P energy: -64.795 tors. eta vs tors. theta energy: -135.669 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: 5 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1501.477372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.477372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.477372 (E_RNA) where: Base-Base interactions energy: -1059.593 where: short stacking energy: -445.727 Base-Backbone interact. energy: -0.143 local terms energy: -441.741334 where: bonds (distance) C4'-P energy: -78.965 bonds (distance) P-C4' energy: -93.613 flat angles C4'-P-C4' energy: -96.091 flat angles P-C4'-P energy: -62.737 tors. eta vs tors. theta energy: -110.336 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: 8, replica: 10 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1286.334756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.334756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.334756 (E_RNA) where: Base-Base interactions energy: -863.130 where: short stacking energy: -398.766 Base-Backbone interact. energy: 0.975 local terms energy: -424.180232 where: bonds (distance) C4'-P energy: -85.210 bonds (distance) P-C4' energy: -100.954 flat angles C4'-P-C4' energy: -98.983 flat angles P-C4'-P energy: -61.815 tors. eta vs tors. theta energy: -77.218 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: 9, replica: 6 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1116.382507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.382507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.382507 (E_RNA) where: Base-Base interactions energy: -727.690 where: short stacking energy: -328.182 Base-Backbone interact. energy: 1.615 local terms energy: -390.307595 where: bonds (distance) C4'-P energy: -82.897 bonds (distance) P-C4' energy: -104.121 flat angles C4'-P-C4' energy: -91.076 flat angles P-C4'-P energy: -51.843 tors. eta vs tors. theta energy: -60.370 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: 7 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -1119.419956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.419956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.419956 (E_RNA) where: Base-Base interactions energy: -708.397 where: short stacking energy: -321.086 Base-Backbone interact. energy: 2.752 local terms energy: -413.775001 where: bonds (distance) C4'-P energy: -87.054 bonds (distance) P-C4' energy: -93.939 flat angles C4'-P-C4' energy: -98.892 flat angles P-C4'-P energy: -72.871 tors. eta vs tors. theta energy: -61.018 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: 1, replica: 2 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1913.707740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.707740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.707740 (E_RNA) where: Base-Base interactions energy: -1337.019 where: short stacking energy: -550.439 Base-Backbone interact. energy: -1.336 local terms energy: -575.353254 where: bonds (distance) C4'-P energy: -101.861 bonds (distance) P-C4' energy: -118.021 flat angles C4'-P-C4' energy: -115.522 flat angles P-C4'-P energy: -83.408 tors. eta vs tors. theta energy: -156.542 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: 2, replica: 8 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1895.994958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.994958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.994958 (E_RNA) where: Base-Base interactions energy: -1325.666 where: short stacking energy: -542.199 Base-Backbone interact. energy: -1.244 local terms energy: -569.084460 where: bonds (distance) C4'-P energy: -110.382 bonds (distance) P-C4' energy: -105.124 flat angles C4'-P-C4' energy: -114.193 flat angles P-C4'-P energy: -80.133 tors. eta vs tors. theta energy: -159.252 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: 3, replica: 3 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1854.866454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.866454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.866454 (E_RNA) where: Base-Base interactions energy: -1296.494 where: short stacking energy: -538.973 Base-Backbone interact. energy: 0.965 local terms energy: -559.337624 where: bonds (distance) C4'-P energy: -97.255 bonds (distance) P-C4' energy: -120.516 flat angles C4'-P-C4' energy: -112.836 flat angles P-C4'-P energy: -78.131 tors. eta vs tors. theta energy: -150.599 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: 4, replica: 1 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1791.449670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.449670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.449670 (E_RNA) where: Base-Base interactions energy: -1247.962 where: short stacking energy: -520.064 Base-Backbone interact. energy: -1.911 local terms energy: -541.576072 where: bonds (distance) C4'-P energy: -100.864 bonds (distance) P-C4' energy: -102.752 flat angles C4'-P-C4' energy: -119.155 flat angles P-C4'-P energy: -72.543 tors. eta vs tors. theta energy: -146.262 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: 9 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1668.009675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.009675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.009675 (E_RNA) where: Base-Base interactions energy: -1169.587 where: short stacking energy: -475.583 Base-Backbone interact. energy: 4.626 local terms energy: -503.048340 where: bonds (distance) C4'-P energy: -94.322 bonds (distance) P-C4' energy: -92.447 flat angles C4'-P-C4' energy: -114.468 flat angles P-C4'-P energy: -75.188 tors. eta vs tors. theta energy: -126.623 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: 6, replica: 4 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1661.745379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.745379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.745379 (E_RNA) where: Base-Base interactions energy: -1158.268 where: short stacking energy: -478.296 Base-Backbone interact. energy: -1.853 local terms energy: -501.624107 where: bonds (distance) C4'-P energy: -93.493 bonds (distance) P-C4' energy: -100.072 flat angles C4'-P-C4' energy: -102.740 flat angles P-C4'-P energy: -74.660 tors. eta vs tors. theta energy: -130.659 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: 5 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1466.208589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.208589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.208589 (E_RNA) where: Base-Base interactions energy: -1005.415 where: short stacking energy: -430.890 Base-Backbone interact. energy: -0.541 local terms energy: -460.252971 where: bonds (distance) C4'-P energy: -87.955 bonds (distance) P-C4' energy: -104.409 flat angles C4'-P-C4' energy: -89.876 flat angles P-C4'-P energy: -66.586 tors. eta vs tors. theta energy: -111.428 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: 8, replica: 10 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1281.213264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.213264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.213264 (E_RNA) where: Base-Base interactions energy: -839.713 where: short stacking energy: -358.621 Base-Backbone interact. energy: -0.149 local terms energy: -441.350951 where: bonds (distance) C4'-P energy: -83.670 bonds (distance) P-C4' energy: -106.079 flat angles C4'-P-C4' energy: -99.037 flat angles P-C4'-P energy: -66.263 tors. eta vs tors. theta energy: -86.302 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: 9, replica: 6 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1159.338132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.338132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.338132 (E_RNA) where: Base-Base interactions energy: -760.102 where: short stacking energy: -327.767 Base-Backbone interact. energy: 0.669 local terms energy: -399.905125 where: bonds (distance) C4'-P energy: -89.770 bonds (distance) P-C4' energy: -103.810 flat angles C4'-P-C4' energy: -83.332 flat angles P-C4'-P energy: -55.018 tors. eta vs tors. theta energy: -67.976 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: 10, replica: 7 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -1094.040801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.040801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.040801 (E_RNA) where: Base-Base interactions energy: -712.161 where: short stacking energy: -309.469 Base-Backbone interact. energy: 3.117 local terms energy: -384.996843 where: bonds (distance) C4'-P energy: -80.041 bonds (distance) P-C4' energy: -103.559 flat angles C4'-P-C4' energy: -82.553 flat angles P-C4'-P energy: -59.925 tors. eta vs tors. theta energy: -58.918 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: 1, replica: 2 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1915.382359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.382359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.382359 (E_RNA) where: Base-Base interactions energy: -1339.417 where: short stacking energy: -562.127 Base-Backbone interact. energy: -1.145 local terms energy: -574.820276 where: bonds (distance) C4'-P energy: -93.520 bonds (distance) P-C4' energy: -117.004 flat angles C4'-P-C4' energy: -122.557 flat angles P-C4'-P energy: -82.977 tors. eta vs tors. theta energy: -158.762 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: 2, replica: 8 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1865.271275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.271275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.271275 (E_RNA) where: Base-Base interactions energy: -1308.940 where: short stacking energy: -544.191 Base-Backbone interact. energy: -0.886 local terms energy: -555.444652 where: bonds (distance) C4'-P energy: -77.402 bonds (distance) P-C4' energy: -121.583 flat angles C4'-P-C4' energy: -120.792 flat angles P-C4'-P energy: -80.338 tors. eta vs tors. theta energy: -155.330 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: 430 Temperature: 1.000000 Total energy: -1822.144197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.144197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.144197 (E_RNA) where: Base-Base interactions energy: -1268.628 where: short stacking energy: -521.002 Base-Backbone interact. energy: -1.958 local terms energy: -551.558255 where: bonds (distance) C4'-P energy: -97.120 bonds (distance) P-C4' energy: -115.002 flat angles C4'-P-C4' energy: -115.759 flat angles P-C4'-P energy: -75.834 tors. eta vs tors. theta energy: -147.844 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: 4, replica: 3 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1792.770295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.770295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.770295 (E_RNA) where: Base-Base interactions energy: -1250.102 where: short stacking energy: -513.815 Base-Backbone interact. energy: -1.216 local terms energy: -541.452210 where: bonds (distance) C4'-P energy: -99.142 bonds (distance) P-C4' energy: -113.156 flat angles C4'-P-C4' energy: -114.045 flat angles P-C4'-P energy: -70.466 tors. eta vs tors. theta energy: -144.643 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: 5, replica: 9 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1700.870889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.870889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.870889 (E_RNA) where: Base-Base interactions energy: -1189.610 where: short stacking energy: -500.292 Base-Backbone interact. energy: 2.411 local terms energy: -513.671385 where: bonds (distance) C4'-P energy: -92.405 bonds (distance) P-C4' energy: -104.044 flat angles C4'-P-C4' energy: -114.348 flat angles P-C4'-P energy: -67.009 tors. eta vs tors. theta energy: -135.866 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: 4 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1714.789982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.789982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.789982 (E_RNA) where: Base-Base interactions energy: -1181.738 where: short stacking energy: -489.278 Base-Backbone interact. energy: -1.025 local terms energy: -532.027289 where: bonds (distance) C4'-P energy: -94.674 bonds (distance) P-C4' energy: -107.747 flat angles C4'-P-C4' energy: -115.008 flat angles P-C4'-P energy: -73.829 tors. eta vs tors. theta energy: -140.769 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: 5 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1481.344570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.344570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.344570 (E_RNA) where: Base-Base interactions energy: -1025.000 where: short stacking energy: -413.561 Base-Backbone interact. energy: 2.129 local terms energy: -458.473189 where: bonds (distance) C4'-P energy: -85.203 bonds (distance) P-C4' energy: -105.055 flat angles C4'-P-C4' energy: -105.541 flat angles P-C4'-P energy: -58.688 tors. eta vs tors. theta energy: -103.986 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: 10 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1279.267873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.267873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.267873 (E_RNA) where: Base-Base interactions energy: -858.514 where: short stacking energy: -375.752 Base-Backbone interact. energy: -2.171 local terms energy: -418.583234 where: bonds (distance) C4'-P energy: -83.372 bonds (distance) P-C4' energy: -97.354 flat angles C4'-P-C4' energy: -88.574 flat angles P-C4'-P energy: -64.637 tors. eta vs tors. theta energy: -84.647 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: 7 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1105.586050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.586050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.586050 (E_RNA) where: Base-Base interactions energy: -703.657 where: short stacking energy: -321.961 Base-Backbone interact. energy: 3.150 local terms energy: -405.078359 where: bonds (distance) C4'-P energy: -88.706 bonds (distance) P-C4' energy: -105.973 flat angles C4'-P-C4' energy: -98.009 flat angles P-C4'-P energy: -50.403 tors. eta vs tors. theta energy: -61.987 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: 10, replica: 6 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -1103.209247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.209247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.209247 (E_RNA) where: Base-Base interactions energy: -696.305 where: short stacking energy: -315.523 Base-Backbone interact. energy: -2.007 local terms energy: -404.897524 where: bonds (distance) C4'-P energy: -92.653 bonds (distance) P-C4' energy: -106.502 flat angles C4'-P-C4' energy: -71.938 flat angles P-C4'-P energy: -70.074 tors. eta vs tors. theta energy: -63.730 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: 1, replica: 2 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1896.450065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.450065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.450065 (E_RNA) where: Base-Base interactions energy: -1318.906 where: short stacking energy: -562.086 Base-Backbone interact. energy: -2.381 local terms energy: -575.163539 where: bonds (distance) C4'-P energy: -101.142 bonds (distance) P-C4' energy: -116.383 flat angles C4'-P-C4' energy: -119.253 flat angles P-C4'-P energy: -77.209 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: 2, replica: 8 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1875.714608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.714608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.714608 (E_RNA) where: Base-Base interactions energy: -1316.939 where: short stacking energy: -536.322 Base-Backbone interact. energy: -0.970 local terms energy: -557.805223 where: bonds (distance) C4'-P energy: -104.216 bonds (distance) P-C4' energy: -111.746 flat angles C4'-P-C4' energy: -113.160 flat angles P-C4'-P energy: -69.678 tors. eta vs tors. theta energy: -159.005 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: 1 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1811.405952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.405952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.405952 (E_RNA) where: Base-Base interactions energy: -1261.592 where: short stacking energy: -533.772 Base-Backbone interact. energy: 1.300 local terms energy: -551.113559 where: bonds (distance) C4'-P energy: -88.089 bonds (distance) P-C4' energy: -111.108 flat angles C4'-P-C4' energy: -114.195 flat angles P-C4'-P energy: -85.310 tors. eta vs tors. theta energy: -152.413 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: 3 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1767.743684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.743684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.743684 (E_RNA) where: Base-Base interactions energy: -1227.882 where: short stacking energy: -502.888 Base-Backbone interact. energy: -2.493 local terms energy: -537.368566 where: bonds (distance) C4'-P energy: -99.253 bonds (distance) P-C4' energy: -101.486 flat angles C4'-P-C4' energy: -113.468 flat angles P-C4'-P energy: -77.314 tors. eta vs tors. theta energy: -145.847 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: 5, replica: 9 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1717.415594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.415594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.415594 (E_RNA) where: Base-Base interactions energy: -1194.773 where: short stacking energy: -504.299 Base-Backbone interact. energy: 3.915 local terms energy: -526.557289 where: bonds (distance) C4'-P energy: -88.033 bonds (distance) P-C4' energy: -104.201 flat angles C4'-P-C4' energy: -116.801 flat angles P-C4'-P energy: -75.916 tors. eta vs tors. theta energy: -141.605 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: 4 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1697.197416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.197416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.197416 (E_RNA) where: Base-Base interactions energy: -1204.834 where: short stacking energy: -509.517 Base-Backbone interact. energy: 1.240 local terms energy: -493.603275 where: bonds (distance) C4'-P energy: -86.389 bonds (distance) P-C4' energy: -96.505 flat angles C4'-P-C4' energy: -109.608 flat angles P-C4'-P energy: -63.918 tors. eta vs tors. theta energy: -137.183 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: 5 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1541.400421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.400421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.400421 (E_RNA) where: Base-Base interactions energy: -1040.656 where: short stacking energy: -441.253 Base-Backbone interact. energy: 0.356 local terms energy: -501.099724 where: bonds (distance) C4'-P energy: -96.930 bonds (distance) P-C4' energy: -107.958 flat angles C4'-P-C4' energy: -99.198 flat angles P-C4'-P energy: -74.509 tors. eta vs tors. theta energy: -122.504 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: 7 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1168.119901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.119901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.119901 (E_RNA) where: Base-Base interactions energy: -748.048 where: short stacking energy: -348.887 Base-Backbone interact. energy: 3.754 local terms energy: -423.826338 where: bonds (distance) C4'-P energy: -81.170 bonds (distance) P-C4' energy: -101.864 flat angles C4'-P-C4' energy: -102.077 flat angles P-C4'-P energy: -69.861 tors. eta vs tors. theta energy: -68.855 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: 431 Temperature: 1.300000 Total energy: -1319.165059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.165059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.165059 (E_RNA) where: Base-Base interactions energy: -893.735 where: short stacking energy: -383.505 Base-Backbone interact. energy: -0.704 local terms energy: -424.725778 where: bonds (distance) C4'-P energy: -85.192 bonds (distance) P-C4' energy: -86.514 flat angles C4'-P-C4' energy: -97.499 flat angles P-C4'-P energy: -67.054 tors. eta vs tors. theta energy: -88.468 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: 6 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -1121.703890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.703890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.703890 (E_RNA) where: Base-Base interactions energy: -721.965 where: short stacking energy: -324.505 Base-Backbone interact. energy: 6.312 local terms energy: -406.051406 where: bonds (distance) C4'-P energy: -89.976 bonds (distance) P-C4' energy: -96.637 flat angles C4'-P-C4' energy: -89.245 flat angles P-C4'-P energy: -55.539 tors. eta vs tors. theta energy: -74.655 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: 1, replica: 2 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1915.319774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.319774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.319774 (E_RNA) where: Base-Base interactions energy: -1346.670 where: short stacking energy: -570.339 Base-Backbone interact. energy: -1.276 local terms energy: -567.374214 where: bonds (distance) C4'-P energy: -88.011 bonds (distance) P-C4' energy: -117.464 flat angles C4'-P-C4' energy: -120.944 flat angles P-C4'-P energy: -78.024 tors. eta vs tors. theta energy: -162.932 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: 8 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1879.473386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.473386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.473386 (E_RNA) where: Base-Base interactions energy: -1311.767 where: short stacking energy: -557.977 Base-Backbone interact. energy: -1.460 local terms energy: -566.246553 where: bonds (distance) C4'-P energy: -97.821 bonds (distance) P-C4' energy: -109.597 flat angles C4'-P-C4' energy: -120.025 flat angles P-C4'-P energy: -85.089 tors. eta vs tors. theta energy: -153.715 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: 3, replica: 1 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1826.499207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.499207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.499207 (E_RNA) where: Base-Base interactions energy: -1268.097 where: short stacking energy: -524.999 Base-Backbone interact. energy: -0.514 local terms energy: -557.888111 where: bonds (distance) C4'-P energy: -90.568 bonds (distance) P-C4' energy: -121.242 flat angles C4'-P-C4' energy: -116.739 flat angles P-C4'-P energy: -81.723 tors. eta vs tors. theta energy: -147.617 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: 3 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1748.608924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.608924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.608924 (E_RNA) where: Base-Base interactions energy: -1206.268 where: short stacking energy: -500.032 Base-Backbone interact. energy: -0.365 local terms energy: -541.975555 where: bonds (distance) C4'-P energy: -87.211 bonds (distance) P-C4' energy: -106.719 flat angles C4'-P-C4' energy: -115.750 flat angles P-C4'-P energy: -88.366 tors. eta vs tors. theta energy: -143.929 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: 5, replica: 9 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1762.986437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.986437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.986437 (E_RNA) where: Base-Base interactions energy: -1242.935 where: short stacking energy: -527.704 Base-Backbone interact. energy: 1.701 local terms energy: -521.752211 where: bonds (distance) C4'-P energy: -85.999 bonds (distance) P-C4' energy: -101.627 flat angles C4'-P-C4' energy: -122.909 flat angles P-C4'-P energy: -65.327 tors. eta vs tors. theta energy: -145.892 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: 6, replica: 4 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1653.268462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.268462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.268462 (E_RNA) where: Base-Base interactions energy: -1179.274 where: short stacking energy: -477.219 Base-Backbone interact. energy: 1.003 local terms energy: -474.998208 where: bonds (distance) C4'-P energy: -86.560 bonds (distance) P-C4' energy: -96.598 flat angles C4'-P-C4' energy: -100.478 flat angles P-C4'-P energy: -70.405 tors. eta vs tors. theta energy: -120.958 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: 5 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1493.108697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.108697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.108697 (E_RNA) where: Base-Base interactions energy: -1031.764 where: short stacking energy: -430.458 Base-Backbone interact. energy: 4.468 local terms energy: -465.812237 where: bonds (distance) C4'-P energy: -85.431 bonds (distance) P-C4' energy: -107.232 flat angles C4'-P-C4' energy: -107.168 flat angles P-C4'-P energy: -59.673 tors. eta vs tors. theta energy: -106.309 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: 8, replica: 7 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1161.077963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.077963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.077963 (E_RNA) where: Base-Base interactions energy: -746.829 where: short stacking energy: -337.284 Base-Backbone interact. energy: -2.654 local terms energy: -411.595378 where: bonds (distance) C4'-P energy: -91.342 bonds (distance) P-C4' energy: -104.167 flat angles C4'-P-C4' energy: -102.032 flat angles P-C4'-P energy: -39.873 tors. eta vs tors. theta energy: -74.181 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: 9, replica: 10 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1342.170959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.170959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.170959 (E_RNA) where: Base-Base interactions energy: -901.976 where: short stacking energy: -376.324 Base-Backbone interact. energy: 5.891 local terms energy: -446.085848 where: bonds (distance) C4'-P energy: -90.265 bonds (distance) P-C4' energy: -100.507 flat angles C4'-P-C4' energy: -103.892 flat angles P-C4'-P energy: -65.442 tors. eta vs tors. theta energy: -85.980 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: 10, replica: 6 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -1102.239505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.239505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.239505 (E_RNA) where: Base-Base interactions energy: -694.954 where: short stacking energy: -326.816 Base-Backbone interact. energy: 2.544 local terms energy: -409.829353 where: bonds (distance) C4'-P energy: -84.025 bonds (distance) P-C4' energy: -99.886 flat angles C4'-P-C4' energy: -103.194 flat angles P-C4'-P energy: -48.657 tors. eta vs tors. theta energy: -74.068 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: 1, replica: 2 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1939.525376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.525376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.525376 (E_RNA) where: Base-Base interactions energy: -1353.789 where: short stacking energy: -562.242 Base-Backbone interact. energy: -0.993 local terms energy: -584.743050 where: bonds (distance) C4'-P energy: -106.871 bonds (distance) P-C4' energy: -121.477 flat angles C4'-P-C4' energy: -117.823 flat angles P-C4'-P energy: -84.423 tors. eta vs tors. theta energy: -154.148 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: 2, replica: 8 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1874.102811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.102811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.102811 (E_RNA) where: Base-Base interactions energy: -1306.372 where: short stacking energy: -525.243 Base-Backbone interact. energy: -0.650 local terms energy: -567.080827 where: bonds (distance) C4'-P energy: -108.023 bonds (distance) P-C4' energy: -111.712 flat angles C4'-P-C4' energy: -116.292 flat angles P-C4'-P energy: -87.852 tors. eta vs tors. theta energy: -143.203 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: 3, replica: 1 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1832.791245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.791245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.791245 (E_RNA) where: Base-Base interactions energy: -1285.369 where: short stacking energy: -527.932 Base-Backbone interact. energy: -3.806 local terms energy: -543.616665 where: bonds (distance) C4'-P energy: -106.729 bonds (distance) P-C4' energy: -106.022 flat angles C4'-P-C4' energy: -109.060 flat angles P-C4'-P energy: -73.164 tors. eta vs tors. theta energy: -148.642 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: 4, replica: 3 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1799.130048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.130048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.130048 (E_RNA) where: Base-Base interactions energy: -1268.948 where: short stacking energy: -528.458 Base-Backbone interact. energy: 0.619 local terms energy: -530.800375 where: bonds (distance) C4'-P energy: -90.230 bonds (distance) P-C4' energy: -106.900 flat angles C4'-P-C4' energy: -99.494 flat angles P-C4'-P energy: -82.702 tors. eta vs tors. theta energy: -151.473 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: 5, replica: 9 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1702.540553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.540553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.540553 (E_RNA) where: Base-Base interactions energy: -1181.462 where: short stacking energy: -473.038 Base-Backbone interact. energy: -1.714 local terms energy: -519.364567 where: bonds (distance) C4'-P energy: -90.230 bonds (distance) P-C4' energy: -104.345 flat angles C4'-P-C4' energy: -111.083 flat angles P-C4'-P energy: -79.502 tors. eta vs tors. theta energy: -134.205 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: 6, replica: 4 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1644.990863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.990863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.990863 (E_RNA) where: Base-Base interactions energy: -1149.377 where: short stacking energy: -479.650 Base-Backbone interact. energy: 1.305 local terms energy: -496.918286 where: bonds (distance) C4'-P energy: -74.872 bonds (distance) P-C4' energy: -108.107 flat angles C4'-P-C4' energy: -110.924 flat angles P-C4'-P energy: -70.605 tors. eta vs tors. theta energy: -132.410 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: 7, replica: 5 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1498.299049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.299049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.299049 (E_RNA) where: Base-Base interactions energy: -1028.396 where: short stacking energy: -425.124 Base-Backbone interact. energy: -1.555 local terms energy: -468.348151 where: bonds (distance) C4'-P energy: -89.779 bonds (distance) P-C4' energy: -104.870 flat angles C4'-P-C4' energy: -104.942 flat angles P-C4'-P energy: -61.429 tors. eta vs tors. theta energy: -107.328 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: 8, replica: 10 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1362.632401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.632401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.632401 (E_RNA) where: Base-Base interactions energy: -899.168 where: short stacking energy: -407.273 Base-Backbone interact. energy: -0.576 local terms energy: -462.888028 where: bonds (distance) C4'-P energy: -88.682 bonds (distance) P-C4' energy: -100.389 flat angles C4'-P-C4' energy: -92.979 flat angles P-C4'-P energy: -66.848 tors. eta vs tors. theta energy: -113.990 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: 9, replica: 7 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1151.684751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.684751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.684751 (E_RNA) where: Base-Base interactions energy: -735.370 where: short stacking energy: -326.913 Base-Backbone interact. energy: 0.465 local terms energy: -416.779437 where: bonds (distance) C4'-P energy: -94.720 bonds (distance) P-C4' energy: -96.577 flat angles C4'-P-C4' energy: -91.870 flat angles P-C4'-P energy: -67.949 tors. eta vs tors. theta energy: -65.663 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: 10, replica: 6 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -1127.956163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.956163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.956163 (E_RNA) where: Base-Base interactions energy: -736.584 where: short stacking energy: -322.195 Base-Backbone interact. energy: 2.305 local terms energy: -393.676806 where: bonds (distance) C4'-P energy: -89.426 bonds (distance) P-C4' energy: -94.018 flat angles C4'-P-C4' energy: -89.006 flat angles P-C4'-P energy: -57.910 tors. eta vs tors. theta energy: -63.317 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: 8 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1899.245351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.245351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.245351 (E_RNA) where: Base-Base interactions energy: -1331.305 where: short stacking energy: -548.729 Base-Backbone interact. energy: -4.250 local terms energy: -563.689576 where: bonds (distance) C4'-P energy: -100.297 bonds (distance) P-C4' energy: -115.613 flat angles C4'-P-C4' energy: -121.494 flat angles P-C4'-P energy: -75.978 tors. eta vs tors. theta energy: -150.308 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: 2, replica: 2 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1888.457168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.457168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.457168 (E_RNA) where: Base-Base interactions energy: -1332.845 where: short stacking energy: -538.938 Base-Backbone interact. energy: -1.582 local terms energy: -554.030047 where: bonds (distance) C4'-P energy: -99.378 bonds (distance) P-C4' energy: -102.806 flat angles C4'-P-C4' energy: -112.827 flat angles P-C4'-P energy: -80.668 tors. eta vs tors. theta energy: -158.350 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: 1 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1833.259256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.259256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.259256 (E_RNA) where: Base-Base interactions energy: -1268.510 where: short stacking energy: -527.207 Base-Backbone interact. energy: -0.785 local terms energy: -563.964049 where: bonds (distance) C4'-P energy: -108.397 bonds (distance) P-C4' energy: -115.338 flat angles C4'-P-C4' energy: -117.397 flat angles P-C4'-P energy: -80.370 tors. eta vs tors. theta energy: -142.461 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: 4, replica: 3 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1767.366910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.366910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.366910 (E_RNA) where: Base-Base interactions energy: -1236.589 where: short stacking energy: -510.854 Base-Backbone interact. energy: -1.290 local terms energy: -529.487705 where: bonds (distance) C4'-P energy: -88.701 bonds (distance) P-C4' energy: -109.652 flat angles C4'-P-C4' energy: -106.610 flat angles P-C4'-P energy: -78.233 tors. eta vs tors. theta energy: -146.292 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: 5, replica: 9 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1706.876235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.876235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.876235 (E_RNA) where: Base-Base interactions energy: -1195.514 where: short stacking energy: -490.642 Base-Backbone interact. energy: 1.591 local terms energy: -512.953304 where: bonds (distance) C4'-P energy: -83.060 bonds (distance) P-C4' energy: -110.628 flat angles C4'-P-C4' energy: -113.686 flat angles P-C4'-P energy: -64.488 tors. eta vs tors. theta energy: -141.091 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: 6, replica: 4 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1678.023969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.023969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.023969 (E_RNA) where: Base-Base interactions energy: -1184.240 where: short stacking energy: -491.762 Base-Backbone interact. energy: 1.992 local terms energy: -495.775877 where: bonds (distance) C4'-P energy: -83.762 bonds (distance) P-C4' energy: -116.423 flat angles C4'-P-C4' energy: -106.633 flat angles P-C4'-P energy: -65.969 tors. eta vs tors. theta energy: -122.988 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: 7, replica: 5 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1522.123882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.123882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.123882 (E_RNA) where: Base-Base interactions energy: -1054.069 where: short stacking energy: -439.406 Base-Backbone interact. energy: 6.525 local terms energy: -474.580578 where: bonds (distance) C4'-P energy: -74.379 bonds (distance) P-C4' energy: -107.112 flat angles C4'-P-C4' energy: -106.104 flat angles P-C4'-P energy: -72.382 tors. eta vs tors. theta energy: -114.604 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: 10 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1349.801279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.801279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.801279 (E_RNA) where: Base-Base interactions energy: -911.786 where: short stacking energy: -401.853 Base-Backbone interact. energy: -1.279 local terms energy: -436.737144 where: bonds (distance) C4'-P energy: -80.386 bonds (distance) P-C4' energy: -100.268 flat angles C4'-P-C4' energy: -96.380 flat angles P-C4'-P energy: -64.025 tors. eta vs tors. theta energy: -95.678 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: 9, replica: 7 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1187.173591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.173591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.173591 (E_RNA) where: Base-Base interactions energy: -778.457 where: short stacking energy: -334.276 Base-Backbone interact. energy: 2.952 local terms energy: -411.668706 where: bonds (distance) C4'-P energy: -83.422 bonds (distance) P-C4' energy: -108.280 flat angles C4'-P-C4' energy: -97.955 flat angles P-C4'-P energy: -51.456 tors. eta vs tors. theta energy: -70.557 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: 10, replica: 6 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -1084.516512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.516512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.516512 (E_RNA) where: Base-Base interactions energy: -697.049 where: short stacking energy: -305.700 Base-Backbone interact. energy: -1.061 local terms energy: -386.406904 where: bonds (distance) C4'-P energy: -87.045 bonds (distance) P-C4' energy: -92.891 flat angles C4'-P-C4' energy: -96.495 flat angles P-C4'-P energy: -54.717 tors. eta vs tors. theta energy: -55.259 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: 1, replica: 8 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1915.820639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.820639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.820639 (E_RNA) where: Base-Base interactions energy: -1341.953 where: short stacking energy: -568.416 Base-Backbone interact. energy: -0.694 local terms energy: -573.173142 where: bonds (distance) C4'-P energy: -100.779 bonds (distance) P-C4' energy: -120.627 flat angles C4'-P-C4' energy: -118.744 flat angles P-C4'-P energy: -74.264 tors. eta vs tors. theta energy: -158.758 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: 435 Temperature: 0.950000 Total energy: -1847.003900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.003900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.003900 (E_RNA) where: Base-Base interactions energy: -1308.105 where: short stacking energy: -544.471 Base-Backbone interact. energy: 0.274 local terms energy: -539.173451 where: bonds (distance) C4'-P energy: -94.103 bonds (distance) P-C4' energy: -108.102 flat angles C4'-P-C4' energy: -114.704 flat angles P-C4'-P energy: -79.399 tors. eta vs tors. theta energy: -142.866 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: 2 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1818.633243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.633243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.633243 (E_RNA) where: Base-Base interactions energy: -1278.882 where: short stacking energy: -525.905 Base-Backbone interact. energy: -2.744 local terms energy: -537.006932 where: bonds (distance) C4'-P energy: -77.083 bonds (distance) P-C4' energy: -114.352 flat angles C4'-P-C4' energy: -115.824 flat angles P-C4'-P energy: -81.487 tors. eta vs tors. theta energy: -148.260 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: 4, replica: 3 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1799.965547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.965547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.965547 (E_RNA) where: Base-Base interactions energy: -1247.993 where: short stacking energy: -509.234 Base-Backbone interact. energy: -0.981 local terms energy: -550.992517 where: bonds (distance) C4'-P energy: -98.013 bonds (distance) P-C4' energy: -108.949 flat angles C4'-P-C4' energy: -119.198 flat angles P-C4'-P energy: -79.316 tors. eta vs tors. theta energy: -145.517 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: 5, replica: 9 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1713.493722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.493722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.493722 (E_RNA) where: Base-Base interactions energy: -1181.909 where: short stacking energy: -496.858 Base-Backbone interact. energy: -0.732 local terms energy: -530.853121 where: bonds (distance) C4'-P energy: -96.688 bonds (distance) P-C4' energy: -113.201 flat angles C4'-P-C4' energy: -112.708 flat angles P-C4'-P energy: -71.646 tors. eta vs tors. theta energy: -136.610 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: 4 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1667.715382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.715382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.715382 (E_RNA) where: Base-Base interactions energy: -1158.391 where: short stacking energy: -482.302 Base-Backbone interact. energy: 1.117 local terms energy: -510.441236 where: bonds (distance) C4'-P energy: -89.639 bonds (distance) P-C4' energy: -103.910 flat angles C4'-P-C4' energy: -108.718 flat angles P-C4'-P energy: -79.050 tors. eta vs tors. theta energy: -129.124 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: 7, replica: 5 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1482.549991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.549991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.549991 (E_RNA) where: Base-Base interactions energy: -1027.319 where: short stacking energy: -411.829 Base-Backbone interact. energy: 3.801 local terms energy: -459.031511 where: bonds (distance) C4'-P energy: -90.502 bonds (distance) P-C4' energy: -110.526 flat angles C4'-P-C4' energy: -93.376 flat angles P-C4'-P energy: -61.268 tors. eta vs tors. theta energy: -103.359 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: 8, replica: 10 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1338.771352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.771352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.771352 (E_RNA) where: Base-Base interactions energy: -892.923 where: short stacking energy: -395.068 Base-Backbone interact. energy: -0.963 local terms energy: -444.885809 where: bonds (distance) C4'-P energy: -91.609 bonds (distance) P-C4' energy: -95.413 flat angles C4'-P-C4' energy: -98.194 flat angles P-C4'-P energy: -60.420 tors. eta vs tors. theta energy: -99.250 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: 7 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1177.612709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.612709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.612709 (E_RNA) where: Base-Base interactions energy: -760.395 where: short stacking energy: -333.881 Base-Backbone interact. energy: 2.852 local terms energy: -420.069455 where: bonds (distance) C4'-P energy: -92.885 bonds (distance) P-C4' energy: -92.655 flat angles C4'-P-C4' energy: -96.148 flat angles P-C4'-P energy: -73.708 tors. eta vs tors. theta energy: -64.674 Dist. restrs. and SS energy: 0.000 (S_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: 435 Temperature: 1.350000 Total energy: -1118.342319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.342319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.342319 (E_RNA) where: Base-Base interactions energy: -728.555 where: short stacking energy: -334.279 Base-Backbone interact. energy: 0.694 local terms energy: -390.481229 where: bonds (distance) C4'-P energy: -87.188 bonds (distance) P-C4' energy: -96.479 flat angles C4'-P-C4' energy: -86.378 flat angles P-C4'-P energy: -55.043 tors. eta vs tors. theta energy: -65.393 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: 8 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1932.931627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.931627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.931627 (E_RNA) where: Base-Base interactions energy: -1352.657 where: short stacking energy: -553.221 Base-Backbone interact. energy: -0.453 local terms energy: -579.821912 where: bonds (distance) C4'-P energy: -109.213 bonds (distance) P-C4' energy: -114.961 flat angles C4'-P-C4' energy: -119.441 flat angles P-C4'-P energy: -79.241 tors. eta vs tors. theta energy: -156.966 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: 2, replica: 1 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1831.584786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.584786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.584786 (E_RNA) where: Base-Base interactions energy: -1275.838 where: short stacking energy: -524.798 Base-Backbone interact. energy: -2.018 local terms energy: -553.729231 where: bonds (distance) C4'-P energy: -101.529 bonds (distance) P-C4' energy: -117.432 flat angles C4'-P-C4' energy: -116.939 flat angles P-C4'-P energy: -78.400 tors. eta vs tors. theta energy: -139.430 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: 3, replica: 2 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1851.267492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.267492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.267492 (E_RNA) where: Base-Base interactions energy: -1296.671 where: short stacking energy: -537.441 Base-Backbone interact. energy: -0.785 local terms energy: -553.810889 where: bonds (distance) C4'-P energy: -99.247 bonds (distance) P-C4' energy: -99.834 flat angles C4'-P-C4' energy: -112.738 flat angles P-C4'-P energy: -79.678 tors. eta vs tors. theta energy: -162.314 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: 3 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1794.501082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.501082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.501082 (E_RNA) where: Base-Base interactions energy: -1257.481 where: short stacking energy: -524.533 Base-Backbone interact. energy: -0.490 local terms energy: -536.530330 where: bonds (distance) C4'-P energy: -94.707 bonds (distance) P-C4' energy: -106.509 flat angles C4'-P-C4' energy: -107.302 flat angles P-C4'-P energy: -87.671 tors. eta vs tors. theta energy: -140.341 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: 436 Temperature: 1.100000 Total energy: -1735.735289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.735289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.735289 (E_RNA) where: Base-Base interactions energy: -1225.632 where: short stacking energy: -503.598 Base-Backbone interact. energy: 0.126 local terms energy: -510.229710 where: bonds (distance) C4'-P energy: -93.646 bonds (distance) P-C4' energy: -108.974 flat angles C4'-P-C4' energy: -105.858 flat angles P-C4'-P energy: -58.474 tors. eta vs tors. theta energy: -143.278 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: 6, replica: 9 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1707.916453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.916453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.916453 (E_RNA) where: Base-Base interactions energy: -1214.453 where: short stacking energy: -490.569 Base-Backbone interact. energy: -0.683 local terms energy: -492.780290 where: bonds (distance) C4'-P energy: -86.940 bonds (distance) P-C4' energy: -90.413 flat angles C4'-P-C4' energy: -117.255 flat angles P-C4'-P energy: -58.275 tors. eta vs tors. theta energy: -139.898 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: 5 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1505.296837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.296837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.296837 (E_RNA) where: Base-Base interactions energy: -1026.533 where: short stacking energy: -432.692 Base-Backbone interact. energy: 5.046 local terms energy: -483.810147 where: bonds (distance) C4'-P energy: -94.290 bonds (distance) P-C4' energy: -108.238 flat angles C4'-P-C4' energy: -102.249 flat angles P-C4'-P energy: -68.554 tors. eta vs tors. theta energy: -110.480 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: 8, replica: 10 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1356.780141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.780141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.780141 (E_RNA) where: Base-Base interactions energy: -912.846 where: short stacking energy: -399.934 Base-Backbone interact. energy: -1.611 local terms energy: -442.322946 where: bonds (distance) C4'-P energy: -90.730 bonds (distance) P-C4' energy: -101.581 flat angles C4'-P-C4' energy: -89.807 flat angles P-C4'-P energy: -69.234 tors. eta vs tors. theta energy: -90.970 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: 9, replica: 7 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1212.103064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.103064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.103064 (E_RNA) where: Base-Base interactions energy: -821.475 where: short stacking energy: -366.969 Base-Backbone interact. energy: 3.328 local terms energy: -393.955403 where: bonds (distance) C4'-P energy: -83.858 bonds (distance) P-C4' energy: -80.273 flat angles C4'-P-C4' energy: -88.221 flat angles P-C4'-P energy: -54.961 tors. eta vs tors. theta energy: -86.642 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: 10, replica: 6 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -1107.716382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.716382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.716382 (E_RNA) where: Base-Base interactions energy: -722.284 where: short stacking energy: -316.204 Base-Backbone interact. energy: -0.337 local terms energy: -385.095004 where: bonds (distance) C4'-P energy: -76.618 bonds (distance) P-C4' energy: -99.261 flat angles C4'-P-C4' energy: -89.574 flat angles P-C4'-P energy: -63.628 tors. eta vs tors. theta energy: -56.013 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: 8 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1913.768002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.768002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.768002 (E_RNA) where: Base-Base interactions energy: -1339.322 where: short stacking energy: -542.149 Base-Backbone interact. energy: 0.236 local terms energy: -574.682208 where: bonds (distance) C4'-P energy: -103.841 bonds (distance) P-C4' energy: -107.494 flat angles C4'-P-C4' energy: -117.990 flat angles P-C4'-P energy: -86.077 tors. eta vs tors. theta energy: -159.281 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: 2 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1886.516211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.516211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.516211 (E_RNA) where: Base-Base interactions energy: -1310.389 where: short stacking energy: -531.183 Base-Backbone interact. energy: -1.337 local terms energy: -574.789698 where: bonds (distance) C4'-P energy: -101.314 bonds (distance) P-C4' energy: -109.457 flat angles C4'-P-C4' energy: -123.412 flat angles P-C4'-P energy: -80.240 tors. eta vs tors. theta energy: -160.366 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: 1 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1847.898108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.898108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.898108 (E_RNA) where: Base-Base interactions energy: -1321.534 where: short stacking energy: -543.199 Base-Backbone interact. energy: -0.025 local terms energy: -526.338844 where: bonds (distance) C4'-P energy: -95.354 bonds (distance) P-C4' energy: -103.910 flat angles C4'-P-C4' energy: -108.269 flat angles P-C4'-P energy: -71.420 tors. eta vs tors. theta energy: -147.386 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: 4, replica: 4 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1763.671158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.671158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.671158 (E_RNA) where: Base-Base interactions energy: -1240.205 where: short stacking energy: -512.092 Base-Backbone interact. energy: 3.950 local terms energy: -527.416011 where: bonds (distance) C4'-P energy: -91.980 bonds (distance) P-C4' energy: -106.839 flat angles C4'-P-C4' energy: -105.680 flat angles P-C4'-P energy: -81.184 tors. eta vs tors. theta energy: -141.733 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: 5, replica: 3 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1781.320620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.320620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.320620 (E_RNA) where: Base-Base interactions energy: -1253.725 where: short stacking energy: -497.537 Base-Backbone interact. energy: 0.917 local terms energy: -528.512871 where: bonds (distance) C4'-P energy: -99.233 bonds (distance) P-C4' energy: -95.233 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -79.617 tors. eta vs tors. theta energy: -139.158 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: 9 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1711.904046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.904046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.904046 (E_RNA) where: Base-Base interactions energy: -1194.562 where: short stacking energy: -494.224 Base-Backbone interact. energy: 0.347 local terms energy: -517.688765 where: bonds (distance) C4'-P energy: -93.703 bonds (distance) P-C4' energy: -94.894 flat angles C4'-P-C4' energy: -114.616 flat angles P-C4'-P energy: -70.133 tors. eta vs tors. theta energy: -144.343 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: 7, replica: 5 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1489.935349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.935349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.935349 (E_RNA) where: Base-Base interactions energy: -1023.339 where: short stacking energy: -441.582 Base-Backbone interact. energy: 1.597 local terms energy: -468.193343 where: bonds (distance) C4'-P energy: -96.232 bonds (distance) P-C4' energy: -88.636 flat angles C4'-P-C4' energy: -106.213 flat angles P-C4'-P energy: -72.465 tors. eta vs tors. theta energy: -104.646 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: 8, replica: 7 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1251.999902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.999902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.999902 (E_RNA) where: Base-Base interactions energy: -829.924 where: short stacking energy: -344.207 Base-Backbone interact. energy: -2.520 local terms energy: -419.555640 where: bonds (distance) C4'-P energy: -80.627 bonds (distance) P-C4' energy: -100.429 flat angles C4'-P-C4' energy: -92.915 flat angles P-C4'-P energy: -66.767 tors. eta vs tors. theta energy: -78.818 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: 9, replica: 10 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1336.617250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.617250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.617250 (E_RNA) where: Base-Base interactions energy: -891.623 where: short stacking energy: -381.817 Base-Backbone interact. energy: 2.293 local terms energy: -447.287628 where: bonds (distance) C4'-P energy: -88.873 bonds (distance) P-C4' energy: -105.120 flat angles C4'-P-C4' energy: -99.792 flat angles P-C4'-P energy: -62.742 tors. eta vs tors. theta energy: -90.760 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: 437 Temperature: 1.350000 Total energy: -1098.599441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.599441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.599441 (E_RNA) where: Base-Base interactions energy: -713.173 where: short stacking energy: -310.128 Base-Backbone interact. energy: 1.669 local terms energy: -387.094808 where: bonds (distance) C4'-P energy: -78.551 bonds (distance) P-C4' energy: -102.408 flat angles C4'-P-C4' energy: -92.932 flat angles P-C4'-P energy: -62.605 tors. eta vs tors. theta energy: -50.598 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: 8 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1919.155629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.155629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.155629 (E_RNA) where: Base-Base interactions energy: -1351.227 where: short stacking energy: -567.186 Base-Backbone interact. energy: -1.355 local terms energy: -566.573528 where: bonds (distance) C4'-P energy: -100.235 bonds (distance) P-C4' energy: -110.592 flat angles C4'-P-C4' energy: -121.415 flat angles P-C4'-P energy: -76.117 tors. eta vs tors. theta energy: -158.214 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: 2 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1886.412427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.412427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.412427 (E_RNA) where: Base-Base interactions energy: -1323.785 where: short stacking energy: -536.624 Base-Backbone interact. energy: -1.094 local terms energy: -561.533680 where: bonds (distance) C4'-P energy: -93.672 bonds (distance) P-C4' energy: -116.606 flat angles C4'-P-C4' energy: -110.455 flat angles P-C4'-P energy: -83.192 tors. eta vs tors. theta energy: -157.608 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: 1 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1834.505943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.505943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.505943 (E_RNA) where: Base-Base interactions energy: -1294.217 where: short stacking energy: -533.720 Base-Backbone interact. energy: -0.166 local terms energy: -540.122878 where: bonds (distance) C4'-P energy: -89.498 bonds (distance) P-C4' energy: -110.730 flat angles C4'-P-C4' energy: -110.205 flat angles P-C4'-P energy: -77.649 tors. eta vs tors. theta energy: -152.040 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: 4, replica: 4 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1759.888918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.888918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.888918 (E_RNA) where: Base-Base interactions energy: -1207.012 where: short stacking energy: -480.274 Base-Backbone interact. energy: 3.213 local terms energy: -556.089668 where: bonds (distance) C4'-P energy: -103.752 bonds (distance) P-C4' energy: -120.907 flat angles C4'-P-C4' energy: -113.749 flat angles P-C4'-P energy: -75.220 tors. eta vs tors. theta energy: -142.460 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: 5, replica: 9 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1735.139511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.139511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.139511 (E_RNA) where: Base-Base interactions energy: -1218.860 where: short stacking energy: -500.865 Base-Backbone interact. energy: -0.579 local terms energy: -515.700430 where: bonds (distance) C4'-P energy: -101.360 bonds (distance) P-C4' energy: -100.533 flat angles C4'-P-C4' energy: -106.525 flat angles P-C4'-P energy: -70.797 tors. eta vs tors. theta energy: -136.486 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: 3 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1706.145030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.145030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.145030 (E_RNA) where: Base-Base interactions energy: -1199.643 where: short stacking energy: -497.420 Base-Backbone interact. energy: -1.841 local terms energy: -504.661063 where: bonds (distance) C4'-P energy: -90.981 bonds (distance) P-C4' energy: -101.630 flat angles C4'-P-C4' energy: -102.575 flat angles P-C4'-P energy: -69.526 tors. eta vs tors. theta energy: -139.950 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: 7, replica: 5 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1501.272369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.272369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.272369 (E_RNA) where: Base-Base interactions energy: -1043.002 where: short stacking energy: -433.347 Base-Backbone interact. energy: 2.152 local terms energy: -460.422245 where: bonds (distance) C4'-P energy: -94.405 bonds (distance) P-C4' energy: -88.068 flat angles C4'-P-C4' energy: -101.663 flat angles P-C4'-P energy: -61.715 tors. eta vs tors. theta energy: -114.570 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: 7 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1299.361168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.361168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.361168 (E_RNA) where: Base-Base interactions energy: -856.907 where: short stacking energy: -365.139 Base-Backbone interact. energy: -1.887 local terms energy: -440.566759 where: bonds (distance) C4'-P energy: -85.835 bonds (distance) P-C4' energy: -103.394 flat angles C4'-P-C4' energy: -92.646 flat angles P-C4'-P energy: -71.067 tors. eta vs tors. theta energy: -87.625 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: 9, replica: 10 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1244.127057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.127057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.127057 (E_RNA) where: Base-Base interactions energy: -828.586 where: short stacking energy: -342.441 Base-Backbone interact. energy: 0.323 local terms energy: -415.863814 where: bonds (distance) C4'-P energy: -96.217 bonds (distance) P-C4' energy: -98.620 flat angles C4'-P-C4' energy: -96.451 flat angles P-C4'-P energy: -49.691 tors. eta vs tors. theta energy: -74.885 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: 10, replica: 6 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -1079.655985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.655985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.655985 (E_RNA) where: Base-Base interactions energy: -678.130 where: short stacking energy: -305.964 Base-Backbone interact. energy: 2.390 local terms energy: -403.915615 where: bonds (distance) C4'-P energy: -96.929 bonds (distance) P-C4' energy: -115.213 flat angles C4'-P-C4' energy: -84.305 flat angles P-C4'-P energy: -49.928 tors. eta vs tors. theta energy: -57.541 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: 1, replica: 8 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1918.597116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.597116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.597116 (E_RNA) where: Base-Base interactions energy: -1334.410 where: short stacking energy: -550.308 Base-Backbone interact. energy: 3.786 local terms energy: -587.973725 where: bonds (distance) C4'-P energy: -112.554 bonds (distance) P-C4' energy: -111.328 flat angles C4'-P-C4' energy: -119.042 flat angles P-C4'-P energy: -88.307 tors. eta vs tors. theta energy: -156.743 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: 439 Temperature: 0.950000 Total energy: -1869.451095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.451095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.451095 (E_RNA) where: Base-Base interactions energy: -1328.458 where: short stacking energy: -531.254 Base-Backbone interact. energy: 1.567 local terms energy: -542.560158 where: bonds (distance) C4'-P energy: -100.229 bonds (distance) P-C4' energy: -104.792 flat angles C4'-P-C4' energy: -119.655 flat angles P-C4'-P energy: -68.271 tors. eta vs tors. theta energy: -149.613 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: 2 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1891.595998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.595998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.595998 (E_RNA) where: Base-Base interactions energy: -1316.699 where: short stacking energy: -549.443 Base-Backbone interact. energy: -0.058 local terms energy: -574.838780 where: bonds (distance) C4'-P energy: -98.169 bonds (distance) P-C4' energy: -115.079 flat angles C4'-P-C4' energy: -123.764 flat angles P-C4'-P energy: -75.965 tors. eta vs tors. theta energy: -161.862 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: 4, replica: 4 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1767.584721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.584721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.584721 (E_RNA) where: Base-Base interactions energy: -1222.516 where: short stacking energy: -497.967 Base-Backbone interact. energy: 1.278 local terms energy: -546.346676 where: bonds (distance) C4'-P energy: -96.748 bonds (distance) P-C4' energy: -117.525 flat angles C4'-P-C4' energy: -119.422 flat angles P-C4'-P energy: -84.215 tors. eta vs tors. theta energy: -128.438 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: 9 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1725.911246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.911246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.911246 (E_RNA) where: Base-Base interactions energy: -1216.533 where: short stacking energy: -507.270 Base-Backbone interact. energy: 3.229 local terms energy: -512.607512 where: bonds (distance) C4'-P energy: -99.092 bonds (distance) P-C4' energy: -96.317 flat angles C4'-P-C4' energy: -108.881 flat angles P-C4'-P energy: -73.632 tors. eta vs tors. theta energy: -134.686 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: 439 Temperature: 1.150000 Total energy: -1771.293871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.293871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.293871 (E_RNA) where: Base-Base interactions energy: -1259.061 where: short stacking energy: -518.495 Base-Backbone interact. energy: 0.190 local terms energy: -512.423319 where: bonds (distance) C4'-P energy: -82.327 bonds (distance) P-C4' energy: -101.965 flat angles C4'-P-C4' energy: -110.321 flat angles P-C4'-P energy: -63.813 tors. eta vs tors. theta energy: -153.997 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: 7, replica: 5 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1521.810250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.810250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.810250 (E_RNA) where: Base-Base interactions energy: -1039.554 where: short stacking energy: -438.309 Base-Backbone interact. energy: 1.129 local terms energy: -483.384987 where: bonds (distance) C4'-P energy: -100.671 bonds (distance) P-C4' energy: -111.042 flat angles C4'-P-C4' energy: -94.438 flat angles P-C4'-P energy: -68.603 tors. eta vs tors. theta energy: -108.630 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: 8, replica: 10 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1302.377946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.377946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.377946 (E_RNA) where: Base-Base interactions energy: -871.007 where: short stacking energy: -373.976 Base-Backbone interact. energy: -3.395 local terms energy: -427.976742 where: bonds (distance) C4'-P energy: -80.380 bonds (distance) P-C4' energy: -108.612 flat angles C4'-P-C4' energy: -86.884 flat angles P-C4'-P energy: -65.405 tors. eta vs tors. theta energy: -86.695 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: 7 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1227.647259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.647259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.647259 (E_RNA) where: Base-Base interactions energy: -801.930 where: short stacking energy: -350.483 Base-Backbone interact. energy: 6.420 local terms energy: -432.137189 where: bonds (distance) C4'-P energy: -84.865 bonds (distance) P-C4' energy: -105.470 flat angles C4'-P-C4' energy: -94.110 flat angles P-C4'-P energy: -64.969 tors. eta vs tors. theta energy: -82.722 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: 6 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -1090.231237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.231237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.231237 (E_RNA) where: Base-Base interactions energy: -713.129 where: short stacking energy: -323.921 Base-Backbone interact. energy: 3.613 local terms energy: -380.715363 where: bonds (distance) C4'-P energy: -68.804 bonds (distance) P-C4' energy: -99.395 flat angles C4'-P-C4' energy: -92.427 flat angles P-C4'-P energy: -61.096 tors. eta vs tors. theta energy: -58.994 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: 8 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1916.229695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.229695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.229695 (E_RNA) where: Base-Base interactions energy: -1359.257 where: short stacking energy: -553.249 Base-Backbone interact. energy: -0.463 local terms energy: -556.509603 where: bonds (distance) C4'-P energy: -91.131 bonds (distance) P-C4' energy: -114.327 flat angles C4'-P-C4' energy: -118.535 flat angles P-C4'-P energy: -73.422 tors. eta vs tors. theta energy: -159.095 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: 2, replica: 1 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1878.883501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.883501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.883501 (E_RNA) where: Base-Base interactions energy: -1313.601 where: short stacking energy: -547.419 Base-Backbone interact. energy: -1.105 local terms energy: -564.177591 where: bonds (distance) C4'-P energy: -100.978 bonds (distance) P-C4' energy: -113.828 flat angles C4'-P-C4' energy: -111.833 flat angles P-C4'-P energy: -86.746 tors. eta vs tors. theta energy: -150.792 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: 2 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1850.613462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.613462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.613462 (E_RNA) where: Base-Base interactions energy: -1303.987 where: short stacking energy: -527.570 Base-Backbone interact. energy: -2.925 local terms energy: -543.701229 where: bonds (distance) C4'-P energy: -102.129 bonds (distance) P-C4' energy: -106.298 flat angles C4'-P-C4' energy: -108.299 flat angles P-C4'-P energy: -72.982 tors. eta vs tors. theta energy: -153.993 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: 4 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1756.001842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.001842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.001842 (E_RNA) where: Base-Base interactions energy: -1235.656 where: short stacking energy: -511.608 Base-Backbone interact. energy: -2.092 local terms energy: -518.253372 where: bonds (distance) C4'-P energy: -90.365 bonds (distance) P-C4' energy: -100.243 flat angles C4'-P-C4' energy: -106.971 flat angles P-C4'-P energy: -74.701 tors. eta vs tors. theta energy: -145.974 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: 3 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1796.460008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.460008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.460008 (E_RNA) where: Base-Base interactions energy: -1261.361 where: short stacking energy: -519.895 Base-Backbone interact. energy: 3.854 local terms energy: -538.953048 where: bonds (distance) C4'-P energy: -89.488 bonds (distance) P-C4' energy: -108.034 flat angles C4'-P-C4' energy: -112.054 flat angles P-C4'-P energy: -80.412 tors. eta vs tors. theta energy: -148.964 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: 9 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1684.891859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.891859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.891859 (E_RNA) where: Base-Base interactions energy: -1194.820 where: short stacking energy: -492.407 Base-Backbone interact. energy: 4.638 local terms energy: -494.710123 where: bonds (distance) C4'-P energy: -79.901 bonds (distance) P-C4' energy: -98.118 flat angles C4'-P-C4' energy: -109.244 flat angles P-C4'-P energy: -78.345 tors. eta vs tors. theta energy: -129.103 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: 7, replica: 5 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1487.869083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.869083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.869083 (E_RNA) where: Base-Base interactions energy: -1020.187 where: short stacking energy: -427.576 Base-Backbone interact. energy: 3.144 local terms energy: -470.825729 where: bonds (distance) C4'-P energy: -92.008 bonds (distance) P-C4' energy: -100.573 flat angles C4'-P-C4' energy: -109.128 flat angles P-C4'-P energy: -62.111 tors. eta vs tors. theta energy: -107.006 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: 8, replica: 10 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1283.268882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.268882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.268882 (E_RNA) where: Base-Base interactions energy: -865.960 where: short stacking energy: -373.672 Base-Backbone interact. energy: 0.113 local terms energy: -417.421615 where: bonds (distance) C4'-P energy: -76.244 bonds (distance) P-C4' energy: -96.795 flat angles C4'-P-C4' energy: -99.657 flat angles P-C4'-P energy: -66.103 tors. eta vs tors. theta energy: -78.623 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: 7 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1114.159412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.159412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.159412 (E_RNA) where: Base-Base interactions energy: -744.914 where: short stacking energy: -310.294 Base-Backbone interact. energy: -0.949 local terms energy: -368.295917 where: bonds (distance) C4'-P energy: -73.037 bonds (distance) P-C4' energy: -101.658 flat angles C4'-P-C4' energy: -85.724 flat angles P-C4'-P energy: -51.808 tors. eta vs tors. theta energy: -56.069 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: 10, replica: 6 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -1081.565139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.565139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.565139 (E_RNA) where: Base-Base interactions energy: -724.701 where: short stacking energy: -307.525 Base-Backbone interact. energy: 4.780 local terms energy: -361.643973 where: bonds (distance) C4'-P energy: -69.945 bonds (distance) P-C4' energy: -99.202 flat angles C4'-P-C4' energy: -65.804 flat angles P-C4'-P energy: -69.171 tors. eta vs tors. theta energy: -57.521 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: 1, replica: 8 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1916.952360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.952360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.952360 (E_RNA) where: Base-Base interactions energy: -1329.026 where: short stacking energy: -551.760 Base-Backbone interact. energy: -0.435 local terms energy: -587.491814 where: bonds (distance) C4'-P energy: -106.374 bonds (distance) P-C4' energy: -123.168 flat angles C4'-P-C4' energy: -113.159 flat angles P-C4'-P energy: -85.229 tors. eta vs tors. theta energy: -159.562 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: 2, replica: 2 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1882.766851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.766851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.766851 (E_RNA) where: Base-Base interactions energy: -1325.228 where: short stacking energy: -557.271 Base-Backbone interact. energy: 2.035 local terms energy: -559.573370 where: bonds (distance) C4'-P energy: -93.490 bonds (distance) P-C4' energy: -105.954 flat angles C4'-P-C4' energy: -116.510 flat angles P-C4'-P energy: -82.613 tors. eta vs tors. theta energy: -161.005 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: 1 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1845.643266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.643266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.643266 (E_RNA) where: Base-Base interactions energy: -1312.793 where: short stacking energy: -527.987 Base-Backbone interact. energy: -0.304 local terms energy: -532.545808 where: bonds (distance) C4'-P energy: -83.331 bonds (distance) P-C4' energy: -107.811 flat angles C4'-P-C4' energy: -102.816 flat angles P-C4'-P energy: -87.695 tors. eta vs tors. theta energy: -150.894 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: 3 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1829.186742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.186742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.186742 (E_RNA) where: Base-Base interactions energy: -1280.209 where: short stacking energy: -523.767 Base-Backbone interact. energy: -1.432 local terms energy: -547.545932 where: bonds (distance) C4'-P energy: -87.528 bonds (distance) P-C4' energy: -108.356 flat angles C4'-P-C4' energy: -117.535 flat angles P-C4'-P energy: -81.647 tors. eta vs tors. theta energy: -152.480 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: 4 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1722.081026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.081026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.081026 (E_RNA) where: Base-Base interactions energy: -1203.466 where: short stacking energy: -521.839 Base-Backbone interact. energy: -0.113 local terms energy: -518.501742 where: bonds (distance) C4'-P energy: -91.458 bonds (distance) P-C4' energy: -98.680 flat angles C4'-P-C4' energy: -107.077 flat angles P-C4'-P energy: -67.107 tors. eta vs tors. theta energy: -154.180 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: 9 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1700.929254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.929254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.929254 (E_RNA) where: Base-Base interactions energy: -1178.363 where: short stacking energy: -484.261 Base-Backbone interact. energy: -1.685 local terms energy: -520.881364 where: bonds (distance) C4'-P energy: -102.732 bonds (distance) P-C4' energy: -106.673 flat angles C4'-P-C4' energy: -105.354 flat angles P-C4'-P energy: -74.181 tors. eta vs tors. theta energy: -131.941 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: 7, replica: 5 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1506.647650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.647650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.647650 (E_RNA) where: Base-Base interactions energy: -1042.476 where: short stacking energy: -430.842 Base-Backbone interact. energy: -0.394 local terms energy: -463.777637 where: bonds (distance) C4'-P energy: -95.330 bonds (distance) P-C4' energy: -96.287 flat angles C4'-P-C4' energy: -96.669 flat angles P-C4'-P energy: -62.639 tors. eta vs tors. theta energy: -112.853 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: 8, replica: 10 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1284.108543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.108543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.108543 (E_RNA) where: Base-Base interactions energy: -840.207 where: short stacking energy: -379.514 Base-Backbone interact. energy: -1.506 local terms energy: -442.395435 where: bonds (distance) C4'-P energy: -84.752 bonds (distance) P-C4' energy: -101.929 flat angles C4'-P-C4' energy: -88.626 flat angles P-C4'-P energy: -71.183 tors. eta vs tors. theta energy: -95.905 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: 7 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1152.692095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.692095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.692095 (E_RNA) where: Base-Base interactions energy: -752.624 where: short stacking energy: -328.439 Base-Backbone interact. energy: -1.497 local terms energy: -398.571000 where: bonds (distance) C4'-P energy: -84.699 bonds (distance) P-C4' energy: -102.636 flat angles C4'-P-C4' energy: -98.517 flat angles P-C4'-P energy: -50.300 tors. eta vs tors. theta energy: -62.418 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: 10, replica: 6 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -1128.858803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.858803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.858803 (E_RNA) where: Base-Base interactions energy: -738.679 where: short stacking energy: -330.339 Base-Backbone interact. energy: 0.517 local terms energy: -390.696213 where: bonds (distance) C4'-P energy: -84.264 bonds (distance) P-C4' energy: -85.968 flat angles C4'-P-C4' energy: -91.755 flat angles P-C4'-P energy: -61.632 tors. eta vs tors. theta energy: -67.078 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: 8 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1913.089432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.089432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.089432 (E_RNA) where: Base-Base interactions energy: -1345.616 where: short stacking energy: -568.471 Base-Backbone interact. energy: -1.879 local terms energy: -565.593864 where: bonds (distance) C4'-P energy: -92.171 bonds (distance) P-C4' energy: -110.972 flat angles C4'-P-C4' energy: -121.726 flat angles P-C4'-P energy: -82.350 tors. eta vs tors. theta energy: -158.375 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: 2 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1870.651813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.651813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.651813 (E_RNA) where: Base-Base interactions energy: -1306.804 where: short stacking energy: -534.966 Base-Backbone interact. energy: -2.401 local terms energy: -561.446850 where: bonds (distance) C4'-P energy: -94.622 bonds (distance) P-C4' energy: -110.386 flat angles C4'-P-C4' energy: -112.997 flat angles P-C4'-P energy: -86.330 tors. eta vs tors. theta energy: -157.110 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: 1 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1840.312887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.312887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.312887 (E_RNA) where: Base-Base interactions energy: -1296.849 where: short stacking energy: -542.255 Base-Backbone interact. energy: 0.092 local terms energy: -543.555287 where: bonds (distance) C4'-P energy: -90.111 bonds (distance) P-C4' energy: -107.379 flat angles C4'-P-C4' energy: -117.434 flat angles P-C4'-P energy: -81.248 tors. eta vs tors. theta energy: -147.383 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: 4, replica: 3 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1795.087519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.087519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.087519 (E_RNA) where: Base-Base interactions energy: -1275.518 where: short stacking energy: -515.770 Base-Backbone interact. energy: 2.088 local terms energy: -521.657234 where: bonds (distance) C4'-P energy: -89.402 bonds (distance) P-C4' energy: -103.975 flat angles C4'-P-C4' energy: -112.372 flat angles P-C4'-P energy: -75.450 tors. eta vs tors. theta energy: -140.458 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: 442 Temperature: 1.100000 Total energy: -1715.745436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.745436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.745436 (E_RNA) where: Base-Base interactions energy: -1194.629 where: short stacking energy: -497.854 Base-Backbone interact. energy: 3.594 local terms energy: -524.709941 where: bonds (distance) C4'-P energy: -89.209 bonds (distance) P-C4' energy: -113.719 flat angles C4'-P-C4' energy: -106.150 flat angles P-C4'-P energy: -75.169 tors. eta vs tors. theta energy: -140.463 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: 6, replica: 9 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1647.774495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.774495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.774495 (E_RNA) where: Base-Base interactions energy: -1148.100 where: short stacking energy: -474.588 Base-Backbone interact. energy: -1.811 local terms energy: -497.863445 where: bonds (distance) C4'-P energy: -80.161 bonds (distance) P-C4' energy: -110.451 flat angles C4'-P-C4' energy: -101.201 flat angles P-C4'-P energy: -73.213 tors. eta vs tors. theta energy: -132.837 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: 5 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1515.606670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.606670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.606670 (E_RNA) where: Base-Base interactions energy: -1032.969 where: short stacking energy: -445.014 Base-Backbone interact. energy: 1.677 local terms energy: -484.314781 where: bonds (distance) C4'-P energy: -92.761 bonds (distance) P-C4' energy: -88.092 flat angles C4'-P-C4' energy: -105.859 flat angles P-C4'-P energy: -70.871 tors. eta vs tors. theta energy: -126.732 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: 10 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1295.160392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.160392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.160392 (E_RNA) where: Base-Base interactions energy: -843.230 where: short stacking energy: -364.894 Base-Backbone interact. energy: -1.105 local terms energy: -450.825407 where: bonds (distance) C4'-P energy: -87.782 bonds (distance) P-C4' energy: -105.509 flat angles C4'-P-C4' energy: -103.256 flat angles P-C4'-P energy: -59.638 tors. eta vs tors. theta energy: -94.641 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: 6 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1153.212950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.212950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.212950 (E_RNA) where: Base-Base interactions energy: -741.219 where: short stacking energy: -336.867 Base-Backbone interact. energy: 3.576 local terms energy: -415.570027 where: bonds (distance) C4'-P energy: -88.641 bonds (distance) P-C4' energy: -109.472 flat angles C4'-P-C4' energy: -97.426 flat angles P-C4'-P energy: -53.559 tors. eta vs tors. theta energy: -66.473 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: 10, replica: 7 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -1114.837100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.837100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.837100 (E_RNA) where: Base-Base interactions energy: -714.359 where: short stacking energy: -307.707 Base-Backbone interact. energy: -1.086 local terms energy: -399.392439 where: bonds (distance) C4'-P energy: -80.558 bonds (distance) P-C4' energy: -100.185 flat angles C4'-P-C4' energy: -92.863 flat angles P-C4'-P energy: -70.593 tors. eta vs tors. theta energy: -55.193 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: 1, replica: 8 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1920.359549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.359549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.359549 (E_RNA) where: Base-Base interactions energy: -1343.743 where: short stacking energy: -561.949 Base-Backbone interact. energy: -0.361 local terms energy: -576.255636 where: bonds (distance) C4'-P energy: -107.900 bonds (distance) P-C4' energy: -111.315 flat angles C4'-P-C4' energy: -111.267 flat angles P-C4'-P energy: -84.356 tors. eta vs tors. theta energy: -161.418 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: 2, replica: 2 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1875.911291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.911291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.911291 (E_RNA) where: Base-Base interactions energy: -1303.724 where: short stacking energy: -532.840 Base-Backbone interact. energy: 1.387 local terms energy: -573.574377 where: bonds (distance) C4'-P energy: -114.246 bonds (distance) P-C4' energy: -123.381 flat angles C4'-P-C4' energy: -109.921 flat angles P-C4'-P energy: -75.449 tors. eta vs tors. theta energy: -150.578 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: 443 Temperature: 1.000000 Total energy: -1858.215975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.215975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.215975 (E_RNA) where: Base-Base interactions energy: -1297.412 where: short stacking energy: -550.010 Base-Backbone interact. energy: 0.465 local terms energy: -561.269511 where: bonds (distance) C4'-P energy: -96.423 bonds (distance) P-C4' energy: -111.306 flat angles C4'-P-C4' energy: -117.677 flat angles P-C4'-P energy: -82.975 tors. eta vs tors. theta energy: -152.890 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: 4, replica: 3 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1835.073703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.073703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.073703 (E_RNA) where: Base-Base interactions energy: -1296.691 where: short stacking energy: -541.513 Base-Backbone interact. energy: 1.284 local terms energy: -539.666493 where: bonds (distance) C4'-P energy: -101.228 bonds (distance) P-C4' energy: -101.545 flat angles C4'-P-C4' energy: -107.712 flat angles P-C4'-P energy: -80.431 tors. eta vs tors. theta energy: -148.750 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: 443 Temperature: 1.100000 Total energy: -1690.317501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.317501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.317501 (E_RNA) where: Base-Base interactions energy: -1188.206 where: short stacking energy: -477.730 Base-Backbone interact. energy: -0.025 local terms energy: -502.086794 where: bonds (distance) C4'-P energy: -90.984 bonds (distance) P-C4' energy: -109.361 flat angles C4'-P-C4' energy: -107.927 flat angles P-C4'-P energy: -64.139 tors. eta vs tors. theta energy: -129.676 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: 6, replica: 9 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1680.123728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.123728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.123728 (E_RNA) where: Base-Base interactions energy: -1168.302 where: short stacking energy: -463.867 Base-Backbone interact. energy: -1.357 local terms energy: -510.464611 where: bonds (distance) C4'-P energy: -87.094 bonds (distance) P-C4' energy: -110.690 flat angles C4'-P-C4' energy: -112.760 flat angles P-C4'-P energy: -68.590 tors. eta vs tors. theta energy: -131.331 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: 7, replica: 5 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1495.924494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.924494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.924494 (E_RNA) where: Base-Base interactions energy: -1003.053 where: short stacking energy: -429.329 Base-Backbone interact. energy: 5.026 local terms energy: -497.897482 where: bonds (distance) C4'-P energy: -94.415 bonds (distance) P-C4' energy: -105.706 flat angles C4'-P-C4' energy: -109.932 flat angles P-C4'-P energy: -70.069 tors. eta vs tors. theta energy: -117.776 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: 10 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1371.837637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.837637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.837637 (E_RNA) where: Base-Base interactions energy: -918.013 where: short stacking energy: -361.896 Base-Backbone interact. energy: 0.196 local terms energy: -454.020288 where: bonds (distance) C4'-P energy: -82.813 bonds (distance) P-C4' energy: -113.979 flat angles C4'-P-C4' energy: -98.836 flat angles P-C4'-P energy: -74.456 tors. eta vs tors. theta energy: -83.937 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: 9, replica: 6 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1163.206335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.206335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.206335 (E_RNA) where: Base-Base interactions energy: -769.409 where: short stacking energy: -329.596 Base-Backbone interact. energy: -0.026 local terms energy: -393.771043 where: bonds (distance) C4'-P energy: -86.673 bonds (distance) P-C4' energy: -100.138 flat angles C4'-P-C4' energy: -77.417 flat angles P-C4'-P energy: -50.196 tors. eta vs tors. theta energy: -79.346 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: 10, replica: 7 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -1071.964593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.964593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.964593 (E_RNA) where: Base-Base interactions energy: -687.489 where: short stacking energy: -295.357 Base-Backbone interact. energy: 1.550 local terms energy: -386.025527 where: bonds (distance) C4'-P energy: -88.266 bonds (distance) P-C4' energy: -89.502 flat angles C4'-P-C4' energy: -86.633 flat angles P-C4'-P energy: -62.930 tors. eta vs tors. theta energy: -58.695 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: 1, replica: 8 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1908.553436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.553436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.553436 (E_RNA) where: Base-Base interactions energy: -1339.385 where: short stacking energy: -552.453 Base-Backbone interact. energy: 0.630 local terms energy: -569.798716 where: bonds (distance) C4'-P energy: -92.447 bonds (distance) P-C4' energy: -112.092 flat angles C4'-P-C4' energy: -117.161 flat angles P-C4'-P energy: -89.146 tors. eta vs tors. theta energy: -158.953 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: 2, replica: 2 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1868.971596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.971596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.971596 (E_RNA) where: Base-Base interactions energy: -1317.201 where: short stacking energy: -552.768 Base-Backbone interact. energy: 1.287 local terms energy: -553.056948 where: bonds (distance) C4'-P energy: -96.654 bonds (distance) P-C4' energy: -106.049 flat angles C4'-P-C4' energy: -118.308 flat angles P-C4'-P energy: -68.674 tors. eta vs tors. theta energy: -163.372 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: 3, replica: 3 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1834.547152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.547152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.547152 (E_RNA) where: Base-Base interactions energy: -1306.700 where: short stacking energy: -524.949 Base-Backbone interact. energy: -2.022 local terms energy: -525.824188 where: bonds (distance) C4'-P energy: -90.958 bonds (distance) P-C4' energy: -111.343 flat angles C4'-P-C4' energy: -109.360 flat angles P-C4'-P energy: -73.169 tors. eta vs tors. theta energy: -140.994 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: 1 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1804.822143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.822143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.822143 (E_RNA) where: Base-Base interactions energy: -1274.255 where: short stacking energy: -520.907 Base-Backbone interact. energy: 2.403 local terms energy: -532.970409 where: bonds (distance) C4'-P energy: -103.290 bonds (distance) P-C4' energy: -96.570 flat angles C4'-P-C4' energy: -114.572 flat angles P-C4'-P energy: -66.921 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: 5, replica: 4 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1734.065530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.065530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.065530 (E_RNA) where: Base-Base interactions energy: -1213.814 where: short stacking energy: -501.711 Base-Backbone interact. energy: -0.984 local terms energy: -519.267704 where: bonds (distance) C4'-P energy: -81.960 bonds (distance) P-C4' energy: -100.513 flat angles C4'-P-C4' energy: -113.953 flat angles P-C4'-P energy: -78.001 tors. eta vs tors. theta energy: -144.840 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: 6, replica: 9 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1694.395260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.395260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.395260 (E_RNA) where: Base-Base interactions energy: -1185.397 where: short stacking energy: -501.131 Base-Backbone interact. energy: -0.847 local terms energy: -508.151448 where: bonds (distance) C4'-P energy: -91.716 bonds (distance) P-C4' energy: -94.842 flat angles C4'-P-C4' energy: -105.584 flat angles P-C4'-P energy: -71.165 tors. eta vs tors. theta energy: -144.843 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: 7, replica: 5 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1481.781325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.781325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.781325 (E_RNA) where: Base-Base interactions energy: -1018.451 where: short stacking energy: -433.955 Base-Backbone interact. energy: 6.368 local terms energy: -469.697988 where: bonds (distance) C4'-P energy: -86.515 bonds (distance) P-C4' energy: -112.391 flat angles C4'-P-C4' energy: -111.194 flat angles P-C4'-P energy: -59.852 tors. eta vs tors. theta energy: -99.745 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: 8, replica: 10 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1326.078230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.078230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.078230 (E_RNA) where: Base-Base interactions energy: -887.404 where: short stacking energy: -378.379 Base-Backbone interact. energy: 0.337 local terms energy: -439.011096 where: bonds (distance) C4'-P energy: -92.655 bonds (distance) P-C4' energy: -99.215 flat angles C4'-P-C4' energy: -99.478 flat angles P-C4'-P energy: -57.481 tors. eta vs tors. theta energy: -90.182 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: 444 Temperature: 1.300000 Total energy: -1165.102624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.102624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.102624 (E_RNA) where: Base-Base interactions energy: -755.989 where: short stacking energy: -339.775 Base-Backbone interact. energy: 5.432 local terms energy: -414.545651 where: bonds (distance) C4'-P energy: -86.182 bonds (distance) P-C4' energy: -92.688 flat angles C4'-P-C4' energy: -95.834 flat angles P-C4'-P energy: -64.693 tors. eta vs tors. theta energy: -75.149 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: 7 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -1088.534520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.534520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.534520 (E_RNA) where: Base-Base interactions energy: -720.389 where: short stacking energy: -324.685 Base-Backbone interact. energy: -0.097 local terms energy: -368.048204 where: bonds (distance) C4'-P energy: -98.611 bonds (distance) P-C4' energy: -81.434 flat angles C4'-P-C4' energy: -75.865 flat angles P-C4'-P energy: -46.784 tors. eta vs tors. theta energy: -65.353 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: 1, replica: 8 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1924.815693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.815693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.815693 (E_RNA) where: Base-Base interactions energy: -1353.910 where: short stacking energy: -545.756 Base-Backbone interact. energy: 0.683 local terms energy: -571.588893 where: bonds (distance) C4'-P energy: -96.056 bonds (distance) P-C4' energy: -105.419 flat angles C4'-P-C4' energy: -126.706 flat angles P-C4'-P energy: -75.361 tors. eta vs tors. theta energy: -168.047 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: 2, replica: 3 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1875.875470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.875470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.875470 (E_RNA) where: Base-Base interactions energy: -1336.618 where: short stacking energy: -524.422 Base-Backbone interact. energy: -0.704 local terms energy: -538.553514 where: bonds (distance) C4'-P energy: -94.487 bonds (distance) P-C4' energy: -104.277 flat angles C4'-P-C4' energy: -117.126 flat angles P-C4'-P energy: -77.846 tors. eta vs tors. theta energy: -144.818 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: 3, replica: 2 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1860.298782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.298782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.298782 (E_RNA) where: Base-Base interactions energy: -1315.526 where: short stacking energy: -538.002 Base-Backbone interact. energy: -1.681 local terms energy: -543.091351 where: bonds (distance) C4'-P energy: -97.709 bonds (distance) P-C4' energy: -105.407 flat angles C4'-P-C4' energy: -114.398 flat angles P-C4'-P energy: -70.717 tors. eta vs tors. theta energy: -154.860 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: 4, replica: 1 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1811.208700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.208700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.208700 (E_RNA) where: Base-Base interactions energy: -1285.284 where: short stacking energy: -537.700 Base-Backbone interact. energy: -1.508 local terms energy: -524.416887 where: bonds (distance) C4'-P energy: -98.309 bonds (distance) P-C4' energy: -98.730 flat angles C4'-P-C4' energy: -106.165 flat angles P-C4'-P energy: -69.058 tors. eta vs tors. theta energy: -152.154 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: 5, replica: 4 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1707.713878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.713878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.713878 (E_RNA) where: Base-Base interactions energy: -1187.073 where: short stacking energy: -493.932 Base-Backbone interact. energy: -0.466 local terms energy: -520.175287 where: bonds (distance) C4'-P energy: -98.522 bonds (distance) P-C4' energy: -110.199 flat angles C4'-P-C4' energy: -104.313 flat angles P-C4'-P energy: -75.145 tors. eta vs tors. theta energy: -131.996 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: 6, replica: 9 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1710.636153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.636153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.636153 (E_RNA) where: Base-Base interactions energy: -1190.855 where: short stacking energy: -502.418 Base-Backbone interact. energy: 0.043 local terms energy: -519.824545 where: bonds (distance) C4'-P energy: -98.962 bonds (distance) P-C4' energy: -102.181 flat angles C4'-P-C4' energy: -105.784 flat angles P-C4'-P energy: -73.499 tors. eta vs tors. theta energy: -139.400 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: 7, replica: 5 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1511.300169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.300169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.300169 (E_RNA) where: Base-Base interactions energy: -1049.381 where: short stacking energy: -436.445 Base-Backbone interact. energy: 0.375 local terms energy: -462.294527 where: bonds (distance) C4'-P energy: -84.448 bonds (distance) P-C4' energy: -101.503 flat angles C4'-P-C4' energy: -92.471 flat angles P-C4'-P energy: -67.029 tors. eta vs tors. theta energy: -116.843 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: 445 Temperature: 1.250000 Total energy: -1327.603140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.603140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.603140 (E_RNA) where: Base-Base interactions energy: -878.492 where: short stacking energy: -386.334 Base-Backbone interact. energy: -1.484 local terms energy: -447.627155 where: bonds (distance) C4'-P energy: -79.283 bonds (distance) P-C4' energy: -101.492 flat angles C4'-P-C4' energy: -95.758 flat angles P-C4'-P energy: -79.363 tors. eta vs tors. theta energy: -91.731 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: 445 Temperature: 1.300000 Total energy: -1152.699971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.699971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.699971 (E_RNA) where: Base-Base interactions energy: -764.930 where: short stacking energy: -313.993 Base-Backbone interact. energy: 3.017 local terms energy: -390.787448 where: bonds (distance) C4'-P energy: -70.953 bonds (distance) P-C4' energy: -99.439 flat angles C4'-P-C4' energy: -100.726 flat angles P-C4'-P energy: -59.981 tors. eta vs tors. theta energy: -59.687 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: 10, replica: 7 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -1132.999807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.999807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.999807 (E_RNA) where: Base-Base interactions energy: -748.916 where: short stacking energy: -331.887 Base-Backbone interact. energy: -1.019 local terms energy: -383.064786 where: bonds (distance) C4'-P energy: -88.581 bonds (distance) P-C4' energy: -95.320 flat angles C4'-P-C4' energy: -86.230 flat angles P-C4'-P energy: -53.554 tors. eta vs tors. theta energy: -59.379 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: 1, replica: 8 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1917.646458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.646458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.646458 (E_RNA) where: Base-Base interactions energy: -1340.574 where: short stacking energy: -556.029 Base-Backbone interact. energy: -1.975 local terms energy: -575.097193 where: bonds (distance) C4'-P energy: -105.963 bonds (distance) P-C4' energy: -107.811 flat angles C4'-P-C4' energy: -113.749 flat angles P-C4'-P energy: -89.783 tors. eta vs tors. theta energy: -157.791 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: 3 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1892.335799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.335799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.335799 (E_RNA) where: Base-Base interactions energy: -1328.036 where: short stacking energy: -544.382 Base-Backbone interact. energy: -0.637 local terms energy: -563.663214 where: bonds (distance) C4'-P energy: -95.209 bonds (distance) P-C4' energy: -110.758 flat angles C4'-P-C4' energy: -123.222 flat angles P-C4'-P energy: -82.296 tors. eta vs tors. theta energy: -152.178 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: 3, replica: 2 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1856.973538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.973538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.973538 (E_RNA) where: Base-Base interactions energy: -1328.179 where: short stacking energy: -550.056 Base-Backbone interact. energy: 1.438 local terms energy: -530.232688 where: bonds (distance) C4'-P energy: -77.623 bonds (distance) P-C4' energy: -104.794 flat angles C4'-P-C4' energy: -105.615 flat angles P-C4'-P energy: -81.638 tors. eta vs tors. theta energy: -160.563 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: 1 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1803.065703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.065703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.065703 (E_RNA) where: Base-Base interactions energy: -1259.827 where: short stacking energy: -522.478 Base-Backbone interact. energy: 0.874 local terms energy: -544.112925 where: bonds (distance) C4'-P energy: -96.270 bonds (distance) P-C4' energy: -98.577 flat angles C4'-P-C4' energy: -119.464 flat angles P-C4'-P energy: -80.241 tors. eta vs tors. theta energy: -149.561 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: 5, replica: 4 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1707.341173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.341173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.341173 (E_RNA) where: Base-Base interactions energy: -1190.776 where: short stacking energy: -510.289 Base-Backbone interact. energy: -0.868 local terms energy: -515.696870 where: bonds (distance) C4'-P energy: -92.398 bonds (distance) P-C4' energy: -96.692 flat angles C4'-P-C4' energy: -116.181 flat angles P-C4'-P energy: -74.484 tors. eta vs tors. theta energy: -135.942 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: 9 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1684.864374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.864374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.864374 (E_RNA) where: Base-Base interactions energy: -1198.817 where: short stacking energy: -495.425 Base-Backbone interact. energy: 2.251 local terms energy: -488.298475 where: bonds (distance) C4'-P energy: -85.772 bonds (distance) P-C4' energy: -94.349 flat angles C4'-P-C4' energy: -96.552 flat angles P-C4'-P energy: -74.268 tors. eta vs tors. theta energy: -137.358 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: 7, replica: 5 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1486.088396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.088396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.088396 (E_RNA) where: Base-Base interactions energy: -1046.732 where: short stacking energy: -458.736 Base-Backbone interact. energy: 0.085 local terms energy: -439.440741 where: bonds (distance) C4'-P energy: -78.585 bonds (distance) P-C4' energy: -85.870 flat angles C4'-P-C4' energy: -98.548 flat angles P-C4'-P energy: -62.364 tors. eta vs tors. theta energy: -114.075 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: 8, replica: 10 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1309.606818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.606818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.606818 (E_RNA) where: Base-Base interactions energy: -859.001 where: short stacking energy: -387.168 Base-Backbone interact. energy: 4.827 local terms energy: -455.433575 where: bonds (distance) C4'-P energy: -91.921 bonds (distance) P-C4' energy: -100.749 flat angles C4'-P-C4' energy: -103.476 flat angles P-C4'-P energy: -70.876 tors. eta vs tors. theta energy: -88.411 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: 446 Temperature: 1.300000 Total energy: -1170.953785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.953785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.953785 (E_RNA) where: Base-Base interactions energy: -737.728 where: short stacking energy: -330.402 Base-Backbone interact. energy: -1.019 local terms energy: -432.207110 where: bonds (distance) C4'-P energy: -99.602 bonds (distance) P-C4' energy: -100.796 flat angles C4'-P-C4' energy: -83.854 flat angles P-C4'-P energy: -73.741 tors. eta vs tors. theta energy: -74.214 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: 10, replica: 7 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -1104.367147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.367147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.367147 (E_RNA) where: Base-Base interactions energy: -714.626 where: short stacking energy: -324.191 Base-Backbone interact. energy: 6.099 local terms energy: -395.839739 where: bonds (distance) C4'-P energy: -88.752 bonds (distance) P-C4' energy: -108.395 flat angles C4'-P-C4' energy: -84.070 flat angles P-C4'-P energy: -52.248 tors. eta vs tors. theta energy: -62.375 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: 1, replica: 8 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1933.643521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.643521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.643521 (E_RNA) where: Base-Base interactions energy: -1360.965 where: short stacking energy: -553.211 Base-Backbone interact. energy: -1.763 local terms energy: -570.915891 where: bonds (distance) C4'-P energy: -95.042 bonds (distance) P-C4' energy: -118.492 flat angles C4'-P-C4' energy: -117.851 flat angles P-C4'-P energy: -79.931 tors. eta vs tors. theta energy: -159.599 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: 2, replica: 3 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1903.508547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.508547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.508547 (E_RNA) where: Base-Base interactions energy: -1351.513 where: short stacking energy: -558.581 Base-Backbone interact. energy: 0.546 local terms energy: -552.541174 where: bonds (distance) C4'-P energy: -101.598 bonds (distance) P-C4' energy: -97.128 flat angles C4'-P-C4' energy: -121.791 flat angles P-C4'-P energy: -76.581 tors. eta vs tors. theta energy: -155.443 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: 447 Temperature: 1.000000 Total energy: -1850.375471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.375471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.375471 (E_RNA) where: Base-Base interactions energy: -1309.185 where: short stacking energy: -544.970 Base-Backbone interact. energy: 0.621 local terms energy: -541.811878 where: bonds (distance) C4'-P energy: -88.062 bonds (distance) P-C4' energy: -106.433 flat angles C4'-P-C4' energy: -114.723 flat angles P-C4'-P energy: -78.440 tors. eta vs tors. theta energy: -154.153 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: 1 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1779.240419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.240419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.240419 (E_RNA) where: Base-Base interactions energy: -1247.084 where: short stacking energy: -521.826 Base-Backbone interact. energy: -3.279 local terms energy: -528.878403 where: bonds (distance) C4'-P energy: -91.328 bonds (distance) P-C4' energy: -106.824 flat angles C4'-P-C4' energy: -119.760 flat angles P-C4'-P energy: -71.238 tors. eta vs tors. theta energy: -139.728 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: 5, replica: 4 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1682.058176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.058176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.058176 (E_RNA) where: Base-Base interactions energy: -1172.268 where: short stacking energy: -479.586 Base-Backbone interact. energy: 3.425 local terms energy: -513.215273 where: bonds (distance) C4'-P energy: -97.388 bonds (distance) P-C4' energy: -90.706 flat angles C4'-P-C4' energy: -107.506 flat angles P-C4'-P energy: -77.780 tors. eta vs tors. theta energy: -139.836 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: 6, replica: 9 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1677.668338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.668338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.668338 (E_RNA) where: Base-Base interactions energy: -1172.558 where: short stacking energy: -493.567 Base-Backbone interact. energy: -1.349 local terms energy: -503.762006 where: bonds (distance) C4'-P energy: -113.436 bonds (distance) P-C4' energy: -101.448 flat angles C4'-P-C4' energy: -92.986 flat angles P-C4'-P energy: -68.027 tors. eta vs tors. theta energy: -127.865 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: 7, replica: 5 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1492.818785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.818785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.818785 (E_RNA) where: Base-Base interactions energy: -1029.878 where: short stacking energy: -432.054 Base-Backbone interact. energy: 0.892 local terms energy: -463.832289 where: bonds (distance) C4'-P energy: -90.859 bonds (distance) P-C4' energy: -99.855 flat angles C4'-P-C4' energy: -96.577 flat angles P-C4'-P energy: -65.082 tors. eta vs tors. theta energy: -111.459 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: 10 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1283.439794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.439794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.439794 (E_RNA) where: Base-Base interactions energy: -854.009 where: short stacking energy: -366.516 Base-Backbone interact. energy: 0.882 local terms energy: -430.313623 where: bonds (distance) C4'-P energy: -96.077 bonds (distance) P-C4' energy: -95.260 flat angles C4'-P-C4' energy: -91.948 flat angles P-C4'-P energy: -58.294 tors. eta vs tors. theta energy: -88.735 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: 9, replica: 6 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1177.922870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.922870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.922870 (E_RNA) where: Base-Base interactions energy: -771.334 where: short stacking energy: -327.509 Base-Backbone interact. energy: 1.446 local terms energy: -408.034222 where: bonds (distance) C4'-P energy: -76.058 bonds (distance) P-C4' energy: -96.254 flat angles C4'-P-C4' energy: -94.786 flat angles P-C4'-P energy: -68.055 tors. eta vs tors. theta energy: -72.882 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: 7 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -1081.740565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.740565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.740565 (E_RNA) where: Base-Base interactions energy: -698.459 where: short stacking energy: -308.231 Base-Backbone interact. energy: -0.585 local terms energy: -382.696440 where: bonds (distance) C4'-P energy: -72.666 bonds (distance) P-C4' energy: -110.087 flat angles C4'-P-C4' energy: -91.075 flat angles P-C4'-P energy: -52.706 tors. eta vs tors. theta energy: -56.163 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: 1, replica: 3 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1896.933672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.933672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.933672 (E_RNA) where: Base-Base interactions energy: -1335.198 where: short stacking energy: -547.884 Base-Backbone interact. energy: 0.264 local terms energy: -561.999963 where: bonds (distance) C4'-P energy: -95.719 bonds (distance) P-C4' energy: -109.054 flat angles C4'-P-C4' energy: -116.697 flat angles P-C4'-P energy: -86.704 tors. eta vs tors. theta energy: -153.827 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: 2, replica: 8 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1890.421230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.421230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.421230 (E_RNA) where: Base-Base interactions energy: -1336.438 where: short stacking energy: -557.677 Base-Backbone interact. energy: 0.380 local terms energy: -554.363423 where: bonds (distance) C4'-P energy: -98.042 bonds (distance) P-C4' energy: -101.372 flat angles C4'-P-C4' energy: -121.173 flat angles P-C4'-P energy: -79.127 tors. eta vs tors. theta energy: -154.650 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: 3, replica: 2 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1831.733553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.733553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.733553 (E_RNA) where: Base-Base interactions energy: -1257.853 where: short stacking energy: -514.916 Base-Backbone interact. energy: -3.631 local terms energy: -570.249665 where: bonds (distance) C4'-P energy: -102.258 bonds (distance) P-C4' energy: -107.564 flat angles C4'-P-C4' energy: -116.341 flat angles P-C4'-P energy: -86.997 tors. eta vs tors. theta energy: -157.091 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: 4, replica: 1 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1800.383626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.383626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.383626 (E_RNA) where: Base-Base interactions energy: -1263.172 where: short stacking energy: -511.935 Base-Backbone interact. energy: -0.460 local terms energy: -536.751472 where: bonds (distance) C4'-P energy: -96.598 bonds (distance) P-C4' energy: -99.302 flat angles C4'-P-C4' energy: -120.024 flat angles P-C4'-P energy: -69.038 tors. eta vs tors. theta energy: -151.789 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: 5, replica: 9 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1651.528713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.528713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.528713 (E_RNA) where: Base-Base interactions energy: -1139.669 where: short stacking energy: -488.757 Base-Backbone interact. energy: 3.699 local terms energy: -515.559410 where: bonds (distance) C4'-P energy: -100.083 bonds (distance) P-C4' energy: -98.482 flat angles C4'-P-C4' energy: -109.746 flat angles P-C4'-P energy: -73.789 tors. eta vs tors. theta energy: -133.460 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: 448 Temperature: 1.150000 Total energy: -1673.376545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.376545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.376545 (E_RNA) where: Base-Base interactions energy: -1153.865 where: short stacking energy: -461.651 Base-Backbone interact. energy: -1.156 local terms energy: -518.355685 where: bonds (distance) C4'-P energy: -87.116 bonds (distance) P-C4' energy: -111.811 flat angles C4'-P-C4' energy: -108.029 flat angles P-C4'-P energy: -85.331 tors. eta vs tors. theta energy: -126.069 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: 5 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1483.327492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.327492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.327492 (E_RNA) where: Base-Base interactions energy: -1007.081 where: short stacking energy: -417.231 Base-Backbone interact. energy: 3.774 local terms energy: -480.020588 where: bonds (distance) C4'-P energy: -87.315 bonds (distance) P-C4' energy: -110.988 flat angles C4'-P-C4' energy: -105.222 flat angles P-C4'-P energy: -76.363 tors. eta vs tors. theta energy: -100.133 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: 8, replica: 10 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1309.789114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.789114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.789114 (E_RNA) where: Base-Base interactions energy: -875.591 where: short stacking energy: -398.030 Base-Backbone interact. energy: -0.518 local terms energy: -433.680074 where: bonds (distance) C4'-P energy: -81.806 bonds (distance) P-C4' energy: -89.396 flat angles C4'-P-C4' energy: -106.729 flat angles P-C4'-P energy: -67.478 tors. eta vs tors. theta energy: -88.270 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: 6 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1123.720720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.720720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.720720 (E_RNA) where: Base-Base interactions energy: -724.558 where: short stacking energy: -322.387 Base-Backbone interact. energy: -2.127 local terms energy: -397.035744 where: bonds (distance) C4'-P energy: -89.238 bonds (distance) P-C4' energy: -102.745 flat angles C4'-P-C4' energy: -88.572 flat angles P-C4'-P energy: -56.715 tors. eta vs tors. theta energy: -59.766 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: 10, replica: 7 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -1130.377186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.377186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.377186 (E_RNA) where: Base-Base interactions energy: -737.428 where: short stacking energy: -318.643 Base-Backbone interact. energy: 0.378 local terms energy: -393.327867 where: bonds (distance) C4'-P energy: -96.409 bonds (distance) P-C4' energy: -101.288 flat angles C4'-P-C4' energy: -95.405 flat angles P-C4'-P energy: -53.323 tors. eta vs tors. theta energy: -46.903 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: 1, replica: 3 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1950.598782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.598782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.598782 (E_RNA) where: Base-Base interactions energy: -1364.664 where: short stacking energy: -552.958 Base-Backbone interact. energy: -0.221 local terms energy: -585.713277 where: bonds (distance) C4'-P energy: -109.911 bonds (distance) P-C4' energy: -118.125 flat angles C4'-P-C4' energy: -118.917 flat angles P-C4'-P energy: -81.928 tors. eta vs tors. theta energy: -156.832 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: 2, replica: 2 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1861.908807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.908807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.908807 (E_RNA) where: Base-Base interactions energy: -1288.689 where: short stacking energy: -536.800 Base-Backbone interact. energy: -1.061 local terms energy: -572.159428 where: bonds (distance) C4'-P energy: -102.187 bonds (distance) P-C4' energy: -111.681 flat angles C4'-P-C4' energy: -114.187 flat angles P-C4'-P energy: -85.994 tors. eta vs tors. theta energy: -158.110 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: 8 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1835.346985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.346985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.346985 (E_RNA) where: Base-Base interactions energy: -1273.550 where: short stacking energy: -526.212 Base-Backbone interact. energy: -0.874 local terms energy: -560.922355 where: bonds (distance) C4'-P energy: -96.223 bonds (distance) P-C4' energy: -111.842 flat angles C4'-P-C4' energy: -116.178 flat angles P-C4'-P energy: -81.433 tors. eta vs tors. theta energy: -155.246 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: 4, replica: 1 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1804.685918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.685918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.685918 (E_RNA) where: Base-Base interactions energy: -1261.132 where: short stacking energy: -521.459 Base-Backbone interact. energy: 0.750 local terms energy: -544.304319 where: bonds (distance) C4'-P energy: -105.269 bonds (distance) P-C4' energy: -104.536 flat angles C4'-P-C4' energy: -114.754 flat angles P-C4'-P energy: -70.546 tors. eta vs tors. theta energy: -149.200 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: 9 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1687.186660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.186660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.186660 (E_RNA) where: Base-Base interactions energy: -1178.274 where: short stacking energy: -492.276 Base-Backbone interact. energy: -0.811 local terms energy: -508.100910 where: bonds (distance) C4'-P energy: -96.935 bonds (distance) P-C4' energy: -99.455 flat angles C4'-P-C4' energy: -109.757 flat angles P-C4'-P energy: -66.195 tors. eta vs tors. theta energy: -135.759 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: 6, replica: 4 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1675.610831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.610831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.610831 (E_RNA) where: Base-Base interactions energy: -1160.736 where: short stacking energy: -469.250 Base-Backbone interact. energy: 0.921 local terms energy: -515.795758 where: bonds (distance) C4'-P energy: -93.455 bonds (distance) P-C4' energy: -106.148 flat angles C4'-P-C4' energy: -108.700 flat angles P-C4'-P energy: -79.234 tors. eta vs tors. theta energy: -128.258 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: 5 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1483.624216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.624216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.624216 (E_RNA) where: Base-Base interactions energy: -1020.739 where: short stacking energy: -415.898 Base-Backbone interact. energy: 0.049 local terms energy: -462.934095 where: bonds (distance) C4'-P energy: -86.908 bonds (distance) P-C4' energy: -103.283 flat angles C4'-P-C4' energy: -103.117 flat angles P-C4'-P energy: -64.768 tors. eta vs tors. theta energy: -104.858 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: 10 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1318.874163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.874163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.874163 (E_RNA) where: Base-Base interactions energy: -890.220 where: short stacking energy: -378.585 Base-Backbone interact. energy: 0.048 local terms energy: -428.701610 where: bonds (distance) C4'-P energy: -83.958 bonds (distance) P-C4' energy: -101.823 flat angles C4'-P-C4' energy: -85.867 flat angles P-C4'-P energy: -73.395 tors. eta vs tors. theta energy: -83.658 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: 9, replica: 6 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1125.131998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.131998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.131998 (E_RNA) where: Base-Base interactions energy: -729.411 where: short stacking energy: -324.542 Base-Backbone interact. energy: -1.123 local terms energy: -394.597564 where: bonds (distance) C4'-P energy: -82.305 bonds (distance) P-C4' energy: -87.532 flat angles C4'-P-C4' energy: -97.869 flat angles P-C4'-P energy: -51.911 tors. eta vs tors. theta energy: -74.980 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: 10, replica: 7 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -1173.994636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.994636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.994636 (E_RNA) where: Base-Base interactions energy: -790.449 where: short stacking energy: -339.049 Base-Backbone interact. energy: 5.627 local terms energy: -389.173058 where: bonds (distance) C4'-P energy: -79.549 bonds (distance) P-C4' energy: -90.780 flat angles C4'-P-C4' energy: -91.812 flat angles P-C4'-P energy: -58.027 tors. eta vs tors. theta energy: -69.004 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: 3 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1939.367720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.367720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.367720 (E_RNA) where: Base-Base interactions energy: -1365.088 where: short stacking energy: -564.091 Base-Backbone interact. energy: -1.340 local terms energy: -572.940045 where: bonds (distance) C4'-P energy: -111.054 bonds (distance) P-C4' energy: -112.290 flat angles C4'-P-C4' energy: -113.342 flat angles P-C4'-P energy: -79.648 tors. eta vs tors. theta energy: -156.606 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: 2, replica: 2 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1879.722700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.722700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.722700 (E_RNA) where: Base-Base interactions energy: -1316.953 where: short stacking energy: -549.808 Base-Backbone interact. energy: -0.070 local terms energy: -562.700248 where: bonds (distance) C4'-P energy: -105.603 bonds (distance) P-C4' energy: -103.513 flat angles C4'-P-C4' energy: -110.889 flat angles P-C4'-P energy: -81.626 tors. eta vs tors. theta energy: -161.069 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: 3, replica: 8 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1848.156985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.156985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.156985 (E_RNA) where: Base-Base interactions energy: -1303.585 where: short stacking energy: -541.075 Base-Backbone interact. energy: -1.568 local terms energy: -543.003950 where: bonds (distance) C4'-P energy: -84.074 bonds (distance) P-C4' energy: -114.266 flat angles C4'-P-C4' energy: -110.445 flat angles P-C4'-P energy: -83.328 tors. eta vs tors. theta energy: -150.891 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: 4, replica: 1 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1825.606277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.606277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.606277 (E_RNA) where: Base-Base interactions energy: -1286.628 where: short stacking energy: -534.241 Base-Backbone interact. energy: -1.473 local terms energy: -537.504893 where: bonds (distance) C4'-P energy: -88.283 bonds (distance) P-C4' energy: -98.046 flat angles C4'-P-C4' energy: -116.220 flat angles P-C4'-P energy: -81.255 tors. eta vs tors. theta energy: -153.702 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: 4 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1727.210484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.210484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.210484 (E_RNA) where: Base-Base interactions energy: -1225.190 where: short stacking energy: -509.534 Base-Backbone interact. energy: -0.688 local terms energy: -501.332562 where: bonds (distance) C4'-P energy: -80.806 bonds (distance) P-C4' energy: -116.317 flat angles C4'-P-C4' energy: -105.393 flat angles P-C4'-P energy: -69.789 tors. eta vs tors. theta energy: -129.028 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: 6, replica: 9 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1624.718023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.718023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.718023 (E_RNA) where: Base-Base interactions energy: -1120.693 where: short stacking energy: -452.516 Base-Backbone interact. energy: 2.330 local terms energy: -506.354435 where: bonds (distance) C4'-P energy: -96.853 bonds (distance) P-C4' energy: -102.877 flat angles C4'-P-C4' energy: -111.843 flat angles P-C4'-P energy: -72.058 tors. eta vs tors. theta energy: -122.723 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: 5 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1513.681734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.681734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.681734 (E_RNA) where: Base-Base interactions energy: -1021.990 where: short stacking energy: -427.777 Base-Backbone interact. energy: -2.104 local terms energy: -489.587115 where: bonds (distance) C4'-P energy: -101.158 bonds (distance) P-C4' energy: -106.078 flat angles C4'-P-C4' energy: -104.286 flat angles P-C4'-P energy: -68.258 tors. eta vs tors. theta energy: -109.807 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: 10 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1301.680069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.680069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.680069 (E_RNA) where: Base-Base interactions energy: -882.934 where: short stacking energy: -377.675 Base-Backbone interact. energy: 7.520 local terms energy: -426.266917 where: bonds (distance) C4'-P energy: -85.256 bonds (distance) P-C4' energy: -110.677 flat angles C4'-P-C4' energy: -101.606 flat angles P-C4'-P energy: -55.590 tors. eta vs tors. theta energy: -73.137 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: 7 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1190.862620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.862620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.862620 (E_RNA) where: Base-Base interactions energy: -792.708 where: short stacking energy: -339.373 Base-Backbone interact. energy: 2.645 local terms energy: -400.799981 where: bonds (distance) C4'-P energy: -85.419 bonds (distance) P-C4' energy: -102.272 flat angles C4'-P-C4' energy: -87.841 flat angles P-C4'-P energy: -50.760 tors. eta vs tors. theta energy: -74.508 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: 10, replica: 6 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -1086.199159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.199159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.199159 (E_RNA) where: Base-Base interactions energy: -691.635 where: short stacking energy: -316.971 Base-Backbone interact. energy: 0.912 local terms energy: -395.476305 where: bonds (distance) C4'-P energy: -83.636 bonds (distance) P-C4' energy: -106.624 flat angles C4'-P-C4' energy: -89.672 flat angles P-C4'-P energy: -59.705 tors. eta vs tors. theta energy: -55.839 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: 1, replica: 3 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1926.020935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.020935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.020935 (E_RNA) where: Base-Base interactions energy: -1344.820 where: short stacking energy: -555.023 Base-Backbone interact. energy: -1.672 local terms energy: -579.528892 where: bonds (distance) C4'-P energy: -105.713 bonds (distance) P-C4' energy: -116.771 flat angles C4'-P-C4' energy: -111.040 flat angles P-C4'-P energy: -86.597 tors. eta vs tors. theta energy: -159.408 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: 2 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1869.727934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.727934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.727934 (E_RNA) where: Base-Base interactions energy: -1309.950 where: short stacking energy: -543.237 Base-Backbone interact. energy: -1.786 local terms energy: -557.991875 where: bonds (distance) C4'-P energy: -99.400 bonds (distance) P-C4' energy: -110.799 flat angles C4'-P-C4' energy: -110.600 flat angles P-C4'-P energy: -78.659 tors. eta vs tors. theta energy: -158.534 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: 8 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1848.259209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.259209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.259209 (E_RNA) where: Base-Base interactions energy: -1308.034 where: short stacking energy: -543.397 Base-Backbone interact. energy: -0.563 local terms energy: -539.661820 where: bonds (distance) C4'-P energy: -84.108 bonds (distance) P-C4' energy: -112.338 flat angles C4'-P-C4' energy: -112.887 flat angles P-C4'-P energy: -71.255 tors. eta vs tors. theta energy: -159.074 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: 1 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1800.468489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.468489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.468489 (E_RNA) where: Base-Base interactions energy: -1271.648 where: short stacking energy: -517.369 Base-Backbone interact. energy: -0.779 local terms energy: -528.041998 where: bonds (distance) C4'-P energy: -78.237 bonds (distance) P-C4' energy: -113.153 flat angles C4'-P-C4' energy: -112.296 flat angles P-C4'-P energy: -73.094 tors. eta vs tors. theta energy: -151.262 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: 451 Temperature: 1.100000 Total energy: -1746.949970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.949970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.949970 (E_RNA) where: Base-Base interactions energy: -1218.871 where: short stacking energy: -523.503 Base-Backbone interact. energy: 0.516 local terms energy: -528.594420 where: bonds (distance) C4'-P energy: -81.657 bonds (distance) P-C4' energy: -110.778 flat angles C4'-P-C4' energy: -119.685 flat angles P-C4'-P energy: -71.841 tors. eta vs tors. theta energy: -144.633 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: 6, replica: 9 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1645.006481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.006481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.006481 (E_RNA) where: Base-Base interactions energy: -1125.733 where: short stacking energy: -480.439 Base-Backbone interact. energy: -1.284 local terms energy: -517.989652 where: bonds (distance) C4'-P energy: -96.951 bonds (distance) P-C4' energy: -107.589 flat angles C4'-P-C4' energy: -107.744 flat angles P-C4'-P energy: -70.622 tors. eta vs tors. theta energy: -135.084 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: 5 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1499.871867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.871867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.871867 (E_RNA) where: Base-Base interactions energy: -1039.213 where: short stacking energy: -430.104 Base-Backbone interact. energy: 1.835 local terms energy: -462.493230 where: bonds (distance) C4'-P energy: -78.176 bonds (distance) P-C4' energy: -113.820 flat angles C4'-P-C4' energy: -105.930 flat angles P-C4'-P energy: -64.010 tors. eta vs tors. theta energy: -100.558 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: 8, replica: 10 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1265.762753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.762753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.762753 (E_RNA) where: Base-Base interactions energy: -841.770 where: short stacking energy: -353.455 Base-Backbone interact. energy: 1.336 local terms energy: -425.328558 where: bonds (distance) C4'-P energy: -81.093 bonds (distance) P-C4' energy: -89.655 flat angles C4'-P-C4' energy: -103.920 flat angles P-C4'-P energy: -59.849 tors. eta vs tors. theta energy: -90.812 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: 7 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1206.304114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.304114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.304114 (E_RNA) where: Base-Base interactions energy: -794.732 where: short stacking energy: -346.726 Base-Backbone interact. energy: 4.387 local terms energy: -415.959388 where: bonds (distance) C4'-P energy: -87.829 bonds (distance) P-C4' energy: -90.584 flat angles C4'-P-C4' energy: -98.114 flat angles P-C4'-P energy: -63.972 tors. eta vs tors. theta energy: -75.461 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: 10, replica: 6 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -1105.181147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.181147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.181147 (E_RNA) where: Base-Base interactions energy: -718.643 where: short stacking energy: -286.611 Base-Backbone interact. energy: -2.250 local terms energy: -384.287708 where: bonds (distance) C4'-P energy: -91.401 bonds (distance) P-C4' energy: -103.241 flat angles C4'-P-C4' energy: -76.175 flat angles P-C4'-P energy: -64.899 tors. eta vs tors. theta energy: -48.572 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: 1, replica: 2 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1918.429528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.429528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.429528 (E_RNA) where: Base-Base interactions energy: -1343.878 where: short stacking energy: -550.463 Base-Backbone interact. energy: -2.227 local terms energy: -572.325103 where: bonds (distance) C4'-P energy: -101.737 bonds (distance) P-C4' energy: -104.319 flat angles C4'-P-C4' energy: -122.935 flat angles P-C4'-P energy: -84.615 tors. eta vs tors. theta energy: -158.719 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: 2, replica: 3 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1893.119184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.119184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.119184 (E_RNA) where: Base-Base interactions energy: -1333.634 where: short stacking energy: -551.929 Base-Backbone interact. energy: -2.308 local terms energy: -557.177719 where: bonds (distance) C4'-P energy: -98.767 bonds (distance) P-C4' energy: -98.617 flat angles C4'-P-C4' energy: -122.308 flat angles P-C4'-P energy: -81.149 tors. eta vs tors. theta energy: -156.336 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: 8 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1852.506709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.506709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.506709 (E_RNA) where: Base-Base interactions energy: -1292.367 where: short stacking energy: -516.985 Base-Backbone interact. energy: -1.405 local terms energy: -558.734036 where: bonds (distance) C4'-P energy: -101.950 bonds (distance) P-C4' energy: -117.921 flat angles C4'-P-C4' energy: -114.744 flat angles P-C4'-P energy: -76.059 tors. eta vs tors. theta energy: -148.061 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: 1 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1816.305077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.305077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.305077 (E_RNA) where: Base-Base interactions energy: -1271.938 where: short stacking energy: -537.539 Base-Backbone interact. energy: -1.137 local terms energy: -543.230026 where: bonds (distance) C4'-P energy: -83.138 bonds (distance) P-C4' energy: -115.844 flat angles C4'-P-C4' energy: -116.436 flat angles P-C4'-P energy: -75.136 tors. eta vs tors. theta energy: -152.676 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: 5, replica: 4 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1717.900026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.900026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.900026 (E_RNA) where: Base-Base interactions energy: -1198.691 where: short stacking energy: -498.894 Base-Backbone interact. energy: 0.581 local terms energy: -519.789688 where: bonds (distance) C4'-P energy: -92.889 bonds (distance) P-C4' energy: -100.081 flat angles C4'-P-C4' energy: -105.270 flat angles P-C4'-P energy: -78.436 tors. eta vs tors. theta energy: -143.114 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: 6, replica: 9 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1631.154439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.154439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.154439 (E_RNA) where: Base-Base interactions energy: -1131.439 where: short stacking energy: -482.584 Base-Backbone interact. energy: -1.279 local terms energy: -498.436886 where: bonds (distance) C4'-P energy: -84.850 bonds (distance) P-C4' energy: -103.204 flat angles C4'-P-C4' energy: -101.168 flat angles P-C4'-P energy: -71.088 tors. eta vs tors. theta energy: -138.127 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: 5 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1522.230817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.230817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.230817 (E_RNA) where: Base-Base interactions energy: -1041.514 where: short stacking energy: -453.557 Base-Backbone interact. energy: -0.841 local terms energy: -479.876214 where: bonds (distance) C4'-P energy: -91.142 bonds (distance) P-C4' energy: -103.102 flat angles C4'-P-C4' energy: -106.849 flat angles P-C4'-P energy: -58.331 tors. eta vs tors. theta energy: -120.453 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: 8, replica: 10 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1317.157841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.157841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.157841 (E_RNA) where: Base-Base interactions energy: -881.326 where: short stacking energy: -387.841 Base-Backbone interact. energy: 3.857 local terms energy: -439.688978 where: bonds (distance) C4'-P energy: -84.755 bonds (distance) P-C4' energy: -104.959 flat angles C4'-P-C4' energy: -102.079 flat angles P-C4'-P energy: -63.150 tors. eta vs tors. theta energy: -84.747 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: 7 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1190.458795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.458795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.458795 (E_RNA) where: Base-Base interactions energy: -776.022 where: short stacking energy: -315.603 Base-Backbone interact. energy: -0.904 local terms energy: -413.533351 where: bonds (distance) C4'-P energy: -74.138 bonds (distance) P-C4' energy: -109.920 flat angles C4'-P-C4' energy: -99.074 flat angles P-C4'-P energy: -71.881 tors. eta vs tors. theta energy: -58.521 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: 6 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -1115.434948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.434948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.434948 (E_RNA) where: Base-Base interactions energy: -726.861 where: short stacking energy: -331.328 Base-Backbone interact. energy: -0.005 local terms energy: -388.568402 where: bonds (distance) C4'-P energy: -89.293 bonds (distance) P-C4' energy: -98.188 flat angles C4'-P-C4' energy: -77.109 flat angles P-C4'-P energy: -53.795 tors. eta vs tors. theta energy: -70.183 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: 1, replica: 2 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1919.959565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.959565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.959565 (E_RNA) where: Base-Base interactions energy: -1316.418 where: short stacking energy: -563.347 Base-Backbone interact. energy: -0.404 local terms energy: -603.137267 where: bonds (distance) C4'-P energy: -105.455 bonds (distance) P-C4' energy: -129.927 flat angles C4'-P-C4' energy: -123.562 flat angles P-C4'-P energy: -81.586 tors. eta vs tors. theta energy: -162.607 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: 2, replica: 8 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1878.063028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.063028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.063028 (E_RNA) where: Base-Base interactions energy: -1333.073 where: short stacking energy: -534.662 Base-Backbone interact. energy: 0.453 local terms energy: -545.442731 where: bonds (distance) C4'-P energy: -96.798 bonds (distance) P-C4' energy: -107.154 flat angles C4'-P-C4' energy: -121.259 flat angles P-C4'-P energy: -69.674 tors. eta vs tors. theta energy: -150.557 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: 3 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1854.042065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.042065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.042065 (E_RNA) where: Base-Base interactions energy: -1299.080 where: short stacking energy: -530.596 Base-Backbone interact. energy: 0.487 local terms energy: -555.449246 where: bonds (distance) C4'-P energy: -99.164 bonds (distance) P-C4' energy: -109.905 flat angles C4'-P-C4' energy: -114.885 flat angles P-C4'-P energy: -80.700 tors. eta vs tors. theta energy: -150.795 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: 4, replica: 1 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1808.158748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.158748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.158748 (E_RNA) where: Base-Base interactions energy: -1266.260 where: short stacking energy: -526.134 Base-Backbone interact. energy: -0.316 local terms energy: -541.582616 where: bonds (distance) C4'-P energy: -90.377 bonds (distance) P-C4' energy: -111.508 flat angles C4'-P-C4' energy: -116.582 flat angles P-C4'-P energy: -68.636 tors. eta vs tors. theta energy: -154.480 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: 4 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1698.698579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.698579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.698579 (E_RNA) where: Base-Base interactions energy: -1207.537 where: short stacking energy: -498.868 Base-Backbone interact. energy: 3.472 local terms energy: -494.633518 where: bonds (distance) C4'-P energy: -86.443 bonds (distance) P-C4' energy: -98.155 flat angles C4'-P-C4' energy: -108.315 flat angles P-C4'-P energy: -70.839 tors. eta vs tors. theta energy: -130.881 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: 6, replica: 9 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1687.489748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.489748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.489748 (E_RNA) where: Base-Base interactions energy: -1171.722 where: short stacking energy: -499.033 Base-Backbone interact. energy: -1.690 local terms energy: -514.077271 where: bonds (distance) C4'-P energy: -96.397 bonds (distance) P-C4' energy: -97.050 flat angles C4'-P-C4' energy: -110.451 flat angles P-C4'-P energy: -68.634 tors. eta vs tors. theta energy: -141.545 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: 7, replica: 5 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1514.561496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.561496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.561496 (E_RNA) where: Base-Base interactions energy: -1036.342 where: short stacking energy: -449.274 Base-Backbone interact. energy: 3.799 local terms energy: -482.017706 where: bonds (distance) C4'-P energy: -85.774 bonds (distance) P-C4' energy: -104.483 flat angles C4'-P-C4' energy: -110.418 flat angles P-C4'-P energy: -73.090 tors. eta vs tors. theta energy: -108.253 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: 8, replica: 10 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1267.309341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.309341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.309341 (E_RNA) where: Base-Base interactions energy: -833.128 where: short stacking energy: -368.646 Base-Backbone interact. energy: 15.485 local terms energy: -449.666054 where: bonds (distance) C4'-P energy: -84.099 bonds (distance) P-C4' energy: -107.848 flat angles C4'-P-C4' energy: -98.373 flat angles P-C4'-P energy: -71.028 tors. eta vs tors. theta energy: -88.318 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: 9, replica: 7 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1202.420607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.420607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.420607 (E_RNA) where: Base-Base interactions energy: -783.879 where: short stacking energy: -343.703 Base-Backbone interact. energy: 2.248 local terms energy: -420.790209 where: bonds (distance) C4'-P energy: -93.310 bonds (distance) P-C4' energy: -95.281 flat angles C4'-P-C4' energy: -90.626 flat angles P-C4'-P energy: -65.640 tors. eta vs tors. theta energy: -75.934 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: 10, replica: 6 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -1143.258450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.258450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.258450 (E_RNA) where: Base-Base interactions energy: -759.119 where: short stacking energy: -355.191 Base-Backbone interact. energy: -2.756 local terms energy: -381.383615 where: bonds (distance) C4'-P energy: -79.622 bonds (distance) P-C4' energy: -88.719 flat angles C4'-P-C4' energy: -91.513 flat angles P-C4'-P energy: -49.397 tors. eta vs tors. theta energy: -72.132 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: 1, replica: 2 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1920.667304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.667304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.667304 (E_RNA) where: Base-Base interactions energy: -1351.119 where: short stacking energy: -560.958 Base-Backbone interact. energy: -1.109 local terms energy: -568.438984 where: bonds (distance) C4'-P energy: -101.262 bonds (distance) P-C4' energy: -108.482 flat angles C4'-P-C4' energy: -116.024 flat angles P-C4'-P energy: -80.405 tors. eta vs tors. theta energy: -162.265 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: 2, replica: 8 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1892.295141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.295141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.295141 (E_RNA) where: Base-Base interactions energy: -1324.920 where: short stacking energy: -544.724 Base-Backbone interact. energy: 2.062 local terms energy: -569.437247 where: bonds (distance) C4'-P energy: -102.693 bonds (distance) P-C4' energy: -109.314 flat angles C4'-P-C4' energy: -119.333 flat angles P-C4'-P energy: -84.008 tors. eta vs tors. theta energy: -154.089 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: 3 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1867.475088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.475088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.475088 (E_RNA) where: Base-Base interactions energy: -1294.642 where: short stacking energy: -522.069 Base-Backbone interact. energy: 0.025 local terms energy: -572.858375 where: bonds (distance) C4'-P energy: -93.579 bonds (distance) P-C4' energy: -110.348 flat angles C4'-P-C4' energy: -117.735 flat angles P-C4'-P energy: -93.867 tors. eta vs tors. theta energy: -157.330 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: 1 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1854.704270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.704270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.704270 (E_RNA) where: Base-Base interactions energy: -1296.855 where: short stacking energy: -543.817 Base-Backbone interact. energy: 0.123 local terms energy: -557.972022 where: bonds (distance) C4'-P energy: -97.296 bonds (distance) P-C4' energy: -104.423 flat angles C4'-P-C4' energy: -122.274 flat angles P-C4'-P energy: -80.893 tors. eta vs tors. theta energy: -153.087 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: 5, replica: 4 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1707.034140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.034140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.034140 (E_RNA) where: Base-Base interactions energy: -1195.363 where: short stacking energy: -486.033 Base-Backbone interact. energy: 0.449 local terms energy: -512.119573 where: bonds (distance) C4'-P energy: -98.144 bonds (distance) P-C4' energy: -99.525 flat angles C4'-P-C4' energy: -108.075 flat angles P-C4'-P energy: -76.197 tors. eta vs tors. theta energy: -130.178 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: 9 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1628.126833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.126833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.126833 (E_RNA) where: Base-Base interactions energy: -1122.459 where: short stacking energy: -485.271 Base-Backbone interact. energy: -1.413 local terms energy: -504.254975 where: bonds (distance) C4'-P energy: -85.794 bonds (distance) P-C4' energy: -115.742 flat angles C4'-P-C4' energy: -107.087 flat angles P-C4'-P energy: -67.331 tors. eta vs tors. theta energy: -128.301 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: 7, replica: 5 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1500.961437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.961437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.961437 (E_RNA) where: Base-Base interactions energy: -1033.797 where: short stacking energy: -432.809 Base-Backbone interact. energy: 4.557 local terms energy: -471.722338 where: bonds (distance) C4'-P energy: -90.892 bonds (distance) P-C4' energy: -111.353 flat angles C4'-P-C4' energy: -91.237 flat angles P-C4'-P energy: -68.373 tors. eta vs tors. theta energy: -109.868 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: 8, replica: 10 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1292.049726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.049726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.049726 (E_RNA) where: Base-Base interactions energy: -843.708 where: short stacking energy: -367.396 Base-Backbone interact. energy: 0.154 local terms energy: -448.495033 where: bonds (distance) C4'-P energy: -85.028 bonds (distance) P-C4' energy: -106.262 flat angles C4'-P-C4' energy: -89.623 flat angles P-C4'-P energy: -67.487 tors. eta vs tors. theta energy: -100.096 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: 7 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1199.272572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.272572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.272572 (E_RNA) where: Base-Base interactions energy: -813.853 where: short stacking energy: -339.202 Base-Backbone interact. energy: -1.212 local terms energy: -384.208012 where: bonds (distance) C4'-P energy: -72.169 bonds (distance) P-C4' energy: -91.983 flat angles C4'-P-C4' energy: -90.912 flat angles P-C4'-P energy: -61.068 tors. eta vs tors. theta energy: -68.076 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: 6 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -1104.333790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.333790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.333790 (E_RNA) where: Base-Base interactions energy: -720.132 where: short stacking energy: -315.006 Base-Backbone interact. energy: -0.649 local terms energy: -383.553567 where: bonds (distance) C4'-P energy: -82.194 bonds (distance) P-C4' energy: -93.460 flat angles C4'-P-C4' energy: -85.866 flat angles P-C4'-P energy: -72.720 tors. eta vs tors. theta energy: -49.313 Dist. restrs. and SS energy: 0.000 (S_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: 455 Temperature: 0.900000 Total energy: -1920.999331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.999331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.999331 (E_RNA) where: Base-Base interactions energy: -1352.200 where: short stacking energy: -552.135 Base-Backbone interact. energy: -2.177 local terms energy: -566.623095 where: bonds (distance) C4'-P energy: -105.643 bonds (distance) P-C4' energy: -109.804 flat angles C4'-P-C4' energy: -110.703 flat angles P-C4'-P energy: -80.386 tors. eta vs tors. theta energy: -160.087 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: 3 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1907.415530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.415530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.415530 (E_RNA) where: Base-Base interactions energy: -1337.927 where: short stacking energy: -555.839 Base-Backbone interact. energy: -0.728 local terms energy: -568.760285 where: bonds (distance) C4'-P energy: -93.007 bonds (distance) P-C4' energy: -111.446 flat angles C4'-P-C4' energy: -117.237 flat angles P-C4'-P energy: -90.052 tors. eta vs tors. theta energy: -157.019 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: 8 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1837.721237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.721237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.721237 (E_RNA) where: Base-Base interactions energy: -1285.197 where: short stacking energy: -525.059 Base-Backbone interact. energy: 0.112 local terms energy: -552.635911 where: bonds (distance) C4'-P energy: -94.452 bonds (distance) P-C4' energy: -102.247 flat angles C4'-P-C4' energy: -119.724 flat angles P-C4'-P energy: -92.918 tors. eta vs tors. theta energy: -143.296 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: 4, replica: 1 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1825.521117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.521117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.521117 (E_RNA) where: Base-Base interactions energy: -1254.473 where: short stacking energy: -516.231 Base-Backbone interact. energy: -1.682 local terms energy: -569.365883 where: bonds (distance) C4'-P energy: -98.162 bonds (distance) P-C4' energy: -121.648 flat angles C4'-P-C4' energy: -113.306 flat angles P-C4'-P energy: -80.208 tors. eta vs tors. theta energy: -156.043 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: 5, replica: 4 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1735.806379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.806379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.806379 (E_RNA) where: Base-Base interactions energy: -1220.794 where: short stacking energy: -521.055 Base-Backbone interact. energy: 0.571 local terms energy: -515.583667 where: bonds (distance) C4'-P energy: -92.574 bonds (distance) P-C4' energy: -98.215 flat angles C4'-P-C4' energy: -113.508 flat angles P-C4'-P energy: -74.282 tors. eta vs tors. theta energy: -137.003 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: 9 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1656.759235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.759235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.759235 (E_RNA) where: Base-Base interactions energy: -1143.768 where: short stacking energy: -479.045 Base-Backbone interact. energy: -1.499 local terms energy: -511.491982 where: bonds (distance) C4'-P energy: -90.783 bonds (distance) P-C4' energy: -108.710 flat angles C4'-P-C4' energy: -102.741 flat angles P-C4'-P energy: -72.006 tors. eta vs tors. theta energy: -137.253 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: 5 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1549.010892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.010892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.010892 (E_RNA) where: Base-Base interactions energy: -1071.439 where: short stacking energy: -452.491 Base-Backbone interact. energy: 1.927 local terms energy: -479.499145 where: bonds (distance) C4'-P energy: -81.393 bonds (distance) P-C4' energy: -114.850 flat angles C4'-P-C4' energy: -96.911 flat angles P-C4'-P energy: -66.554 tors. eta vs tors. theta energy: -119.792 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: 10 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1275.934827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.934827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.934827 (E_RNA) where: Base-Base interactions energy: -837.814 where: short stacking energy: -376.311 Base-Backbone interact. energy: -0.837 local terms energy: -437.284401 where: bonds (distance) C4'-P energy: -90.126 bonds (distance) P-C4' energy: -111.594 flat angles C4'-P-C4' energy: -96.625 flat angles P-C4'-P energy: -52.223 tors. eta vs tors. theta energy: -86.717 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: 9, replica: 7 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1205.987157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.987157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.987157 (E_RNA) where: Base-Base interactions energy: -795.460 where: short stacking energy: -334.116 Base-Backbone interact. energy: -0.355 local terms energy: -410.172511 where: bonds (distance) C4'-P energy: -81.943 bonds (distance) P-C4' energy: -104.992 flat angles C4'-P-C4' energy: -85.807 flat angles P-C4'-P energy: -71.857 tors. eta vs tors. theta energy: -65.574 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: 10, replica: 6 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -1106.502335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.502335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.502335 (E_RNA) where: Base-Base interactions energy: -700.705 where: short stacking energy: -339.889 Base-Backbone interact. energy: -2.823 local terms energy: -402.974818 where: bonds (distance) C4'-P energy: -87.006 bonds (distance) P-C4' energy: -102.119 flat angles C4'-P-C4' energy: -77.215 flat angles P-C4'-P energy: -58.106 tors. eta vs tors. theta energy: -78.529 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: 2 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1917.811657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.811657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.811657 (E_RNA) where: Base-Base interactions energy: -1344.616 where: short stacking energy: -559.696 Base-Backbone interact. energy: 1.265 local terms energy: -574.460822 where: bonds (distance) C4'-P energy: -96.925 bonds (distance) P-C4' energy: -117.336 flat angles C4'-P-C4' energy: -115.691 flat angles P-C4'-P energy: -78.879 tors. eta vs tors. theta energy: -165.630 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: 2, replica: 3 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1905.723600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.723600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.723600 (E_RNA) where: Base-Base interactions energy: -1336.798 where: short stacking energy: -547.396 Base-Backbone interact. energy: -3.836 local terms energy: -565.089340 where: bonds (distance) C4'-P energy: -102.184 bonds (distance) P-C4' energy: -111.133 flat angles C4'-P-C4' energy: -115.589 flat angles P-C4'-P energy: -81.160 tors. eta vs tors. theta energy: -155.024 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: 1 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1852.436730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.436730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.436730 (E_RNA) where: Base-Base interactions energy: -1279.646 where: short stacking energy: -529.239 Base-Backbone interact. energy: 2.178 local terms energy: -574.968889 where: bonds (distance) C4'-P energy: -96.622 bonds (distance) P-C4' energy: -117.352 flat angles C4'-P-C4' energy: -116.573 flat angles P-C4'-P energy: -86.086 tors. eta vs tors. theta energy: -158.336 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: 4, replica: 8 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1826.153200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.153200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.153200 (E_RNA) where: Base-Base interactions energy: -1299.270 where: short stacking energy: -535.786 Base-Backbone interact. energy: 2.319 local terms energy: -529.202088 where: bonds (distance) C4'-P energy: -94.025 bonds (distance) P-C4' energy: -102.450 flat angles C4'-P-C4' energy: -117.723 flat angles P-C4'-P energy: -57.411 tors. eta vs tors. theta energy: -157.593 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: 9 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1691.698324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.698324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.698324 (E_RNA) where: Base-Base interactions energy: -1166.651 where: short stacking energy: -492.512 Base-Backbone interact. energy: -0.488 local terms energy: -524.559223 where: bonds (distance) C4'-P energy: -107.070 bonds (distance) P-C4' energy: -87.642 flat angles C4'-P-C4' energy: -115.395 flat angles P-C4'-P energy: -79.986 tors. eta vs tors. theta energy: -134.466 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: 6, replica: 4 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1647.042211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.042211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.042211 (E_RNA) where: Base-Base interactions energy: -1153.600 where: short stacking energy: -476.060 Base-Backbone interact. energy: 2.522 local terms energy: -495.964516 where: bonds (distance) C4'-P energy: -84.506 bonds (distance) P-C4' energy: -106.041 flat angles C4'-P-C4' energy: -110.865 flat angles P-C4'-P energy: -58.040 tors. eta vs tors. theta energy: -136.513 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: 5 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1524.948495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.948495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.948495 (E_RNA) where: Base-Base interactions energy: -1046.956 where: short stacking energy: -451.480 Base-Backbone interact. energy: 0.559 local terms energy: -478.551628 where: bonds (distance) C4'-P energy: -101.312 bonds (distance) P-C4' energy: -100.872 flat angles C4'-P-C4' energy: -99.877 flat angles P-C4'-P energy: -55.868 tors. eta vs tors. theta energy: -120.622 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: 8, replica: 10 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1280.598743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.598743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.598743 (E_RNA) where: Base-Base interactions energy: -846.665 where: short stacking energy: -374.141 Base-Backbone interact. energy: 2.281 local terms energy: -436.215184 where: bonds (distance) C4'-P energy: -100.818 bonds (distance) P-C4' energy: -106.464 flat angles C4'-P-C4' energy: -84.459 flat angles P-C4'-P energy: -57.466 tors. eta vs tors. theta energy: -87.008 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: 7 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1205.929573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.929573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.929573 (E_RNA) where: Base-Base interactions energy: -798.966 where: short stacking energy: -353.460 Base-Backbone interact. energy: 2.124 local terms energy: -409.087761 where: bonds (distance) C4'-P energy: -85.108 bonds (distance) P-C4' energy: -95.291 flat angles C4'-P-C4' energy: -96.319 flat angles P-C4'-P energy: -55.731 tors. eta vs tors. theta energy: -76.638 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: 10, replica: 6 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -1094.324830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.324830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.324830 (E_RNA) where: Base-Base interactions energy: -712.419 where: short stacking energy: -315.725 Base-Backbone interact. energy: 2.510 local terms energy: -384.416092 where: bonds (distance) C4'-P energy: -76.318 bonds (distance) P-C4' energy: -89.327 flat angles C4'-P-C4' energy: -94.513 flat angles P-C4'-P energy: -65.424 tors. eta vs tors. theta energy: -58.834 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: 1, replica: 2 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1924.685303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.685303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.685303 (E_RNA) where: Base-Base interactions energy: -1338.361 where: short stacking energy: -556.897 Base-Backbone interact. energy: -2.894 local terms energy: -583.430156 where: bonds (distance) C4'-P energy: -104.028 bonds (distance) P-C4' energy: -110.108 flat angles C4'-P-C4' energy: -127.529 flat angles P-C4'-P energy: -82.428 tors. eta vs tors. theta energy: -159.338 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: 2, replica: 3 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1886.037084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.037084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.037084 (E_RNA) where: Base-Base interactions energy: -1334.458 where: short stacking energy: -554.409 Base-Backbone interact. energy: -2.192 local terms energy: -549.386328 where: bonds (distance) C4'-P energy: -87.605 bonds (distance) P-C4' energy: -107.803 flat angles C4'-P-C4' energy: -123.149 flat angles P-C4'-P energy: -81.721 tors. eta vs tors. theta energy: -149.107 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: 3, replica: 1 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1846.309020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.309020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.309020 (E_RNA) where: Base-Base interactions energy: -1301.674 where: short stacking energy: -545.149 Base-Backbone interact. energy: 1.232 local terms energy: -545.866202 where: bonds (distance) C4'-P energy: -83.534 bonds (distance) P-C4' energy: -114.032 flat angles C4'-P-C4' energy: -114.851 flat angles P-C4'-P energy: -81.446 tors. eta vs tors. theta energy: -152.003 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: 4, replica: 8 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1822.669978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.669978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.669978 (E_RNA) where: Base-Base interactions energy: -1280.590 where: short stacking energy: -526.795 Base-Backbone interact. energy: 1.875 local terms energy: -543.954486 where: bonds (distance) C4'-P energy: -99.652 bonds (distance) P-C4' energy: -111.322 flat angles C4'-P-C4' energy: -113.965 flat angles P-C4'-P energy: -70.313 tors. eta vs tors. theta energy: -148.703 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: 9 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1667.775494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.775494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.775494 (E_RNA) where: Base-Base interactions energy: -1156.588 where: short stacking energy: -487.255 Base-Backbone interact. energy: -2.270 local terms energy: -508.917122 where: bonds (distance) C4'-P energy: -89.763 bonds (distance) P-C4' energy: -100.681 flat angles C4'-P-C4' energy: -109.738 flat angles P-C4'-P energy: -69.001 tors. eta vs tors. theta energy: -139.734 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: 6, replica: 4 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1636.751474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.751474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.751474 (E_RNA) where: Base-Base interactions energy: -1149.762 where: short stacking energy: -465.979 Base-Backbone interact. energy: -1.859 local terms energy: -485.129874 where: bonds (distance) C4'-P energy: -90.210 bonds (distance) P-C4' energy: -93.731 flat angles C4'-P-C4' energy: -104.609 flat angles P-C4'-P energy: -66.197 tors. eta vs tors. theta energy: -130.383 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: 7, replica: 5 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1483.677534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.677534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.677534 (E_RNA) where: Base-Base interactions energy: -1033.511 where: short stacking energy: -433.055 Base-Backbone interact. energy: -0.435 local terms energy: -449.731495 where: bonds (distance) C4'-P energy: -81.347 bonds (distance) P-C4' energy: -100.827 flat angles C4'-P-C4' energy: -98.600 flat angles P-C4'-P energy: -60.977 tors. eta vs tors. theta energy: -107.980 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: 10 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1285.420458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.420458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.420458 (E_RNA) where: Base-Base interactions energy: -858.634 where: short stacking energy: -380.387 Base-Backbone interact. energy: 0.454 local terms energy: -427.240713 where: bonds (distance) C4'-P energy: -83.710 bonds (distance) P-C4' energy: -101.054 flat angles C4'-P-C4' energy: -87.272 flat angles P-C4'-P energy: -66.456 tors. eta vs tors. theta energy: -88.748 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: 7 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1204.815553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.815553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.815553 (E_RNA) where: Base-Base interactions energy: -783.035 where: short stacking energy: -333.401 Base-Backbone interact. energy: -0.571 local terms energy: -421.209775 where: bonds (distance) C4'-P energy: -89.685 bonds (distance) P-C4' energy: -101.195 flat angles C4'-P-C4' energy: -99.759 flat angles P-C4'-P energy: -62.872 tors. eta vs tors. theta energy: -67.699 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: 10, replica: 6 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -1115.131290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.131290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.131290 (E_RNA) where: Base-Base interactions energy: -707.486 where: short stacking energy: -320.028 Base-Backbone interact. energy: -3.615 local terms energy: -404.031002 where: bonds (distance) C4'-P energy: -81.586 bonds (distance) P-C4' energy: -101.828 flat angles C4'-P-C4' energy: -99.668 flat angles P-C4'-P energy: -55.486 tors. eta vs tors. theta energy: -65.464 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: 2 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1924.049478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.049478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.049478 (E_RNA) where: Base-Base interactions energy: -1342.763 where: short stacking energy: -560.422 Base-Backbone interact. energy: -1.551 local terms energy: -579.734793 where: bonds (distance) C4'-P energy: -99.967 bonds (distance) P-C4' energy: -114.212 flat angles C4'-P-C4' energy: -118.414 flat angles P-C4'-P energy: -81.338 tors. eta vs tors. theta energy: -165.803 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: 2, replica: 3 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1890.778955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.778955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.778955 (E_RNA) where: Base-Base interactions energy: -1325.022 where: short stacking energy: -561.989 Base-Backbone interact. energy: 0.415 local terms energy: -566.171473 where: bonds (distance) C4'-P energy: -97.408 bonds (distance) P-C4' energy: -113.162 flat angles C4'-P-C4' energy: -123.947 flat angles P-C4'-P energy: -79.977 tors. eta vs tors. theta energy: -151.678 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: 3, replica: 8 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1850.871897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.871897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.871897 (E_RNA) where: Base-Base interactions energy: -1300.064 where: short stacking energy: -530.179 Base-Backbone interact. energy: 1.929 local terms energy: -552.736467 where: bonds (distance) C4'-P energy: -103.045 bonds (distance) P-C4' energy: -100.243 flat angles C4'-P-C4' energy: -112.692 flat angles P-C4'-P energy: -87.708 tors. eta vs tors. theta energy: -149.049 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: 1 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1791.142638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.142638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.142638 (E_RNA) where: Base-Base interactions energy: -1276.901 where: short stacking energy: -519.558 Base-Backbone interact. energy: -0.480 local terms energy: -513.761580 where: bonds (distance) C4'-P energy: -81.238 bonds (distance) P-C4' energy: -100.736 flat angles C4'-P-C4' energy: -112.115 flat angles P-C4'-P energy: -77.995 tors. eta vs tors. theta energy: -141.678 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: 5, replica: 4 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1725.385513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.385513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.385513 (E_RNA) where: Base-Base interactions energy: -1195.601 where: short stacking energy: -494.227 Base-Backbone interact. energy: -0.409 local terms energy: -529.375489 where: bonds (distance) C4'-P energy: -90.531 bonds (distance) P-C4' energy: -108.941 flat angles C4'-P-C4' energy: -117.182 flat angles P-C4'-P energy: -74.639 tors. eta vs tors. theta energy: -138.083 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: 9 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1662.126387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.126387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.126387 (E_RNA) where: Base-Base interactions energy: -1153.934 where: short stacking energy: -491.738 Base-Backbone interact. energy: 0.271 local terms energy: -508.464064 where: bonds (distance) C4'-P energy: -87.293 bonds (distance) P-C4' energy: -103.893 flat angles C4'-P-C4' energy: -107.338 flat angles P-C4'-P energy: -73.336 tors. eta vs tors. theta energy: -136.605 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: 5 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1483.262462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.262462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.262462 (E_RNA) where: Base-Base interactions energy: -1004.956 where: short stacking energy: -408.731 Base-Backbone interact. energy: 4.324 local terms energy: -482.629757 where: bonds (distance) C4'-P energy: -83.106 bonds (distance) P-C4' energy: -122.846 flat angles C4'-P-C4' energy: -93.841 flat angles P-C4'-P energy: -71.084 tors. eta vs tors. theta energy: -111.752 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: 10 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1312.516259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.516259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.516259 (E_RNA) where: Base-Base interactions energy: -867.072 where: short stacking energy: -376.521 Base-Backbone interact. energy: 2.996 local terms energy: -448.439918 where: bonds (distance) C4'-P energy: -95.213 bonds (distance) P-C4' energy: -99.803 flat angles C4'-P-C4' energy: -98.879 flat angles P-C4'-P energy: -72.730 tors. eta vs tors. theta energy: -81.816 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: 9, replica: 6 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1160.748889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.748889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.748889 (E_RNA) where: Base-Base interactions energy: -756.716 where: short stacking energy: -350.876 Base-Backbone interact. energy: -0.792 local terms energy: -403.241152 where: bonds (distance) C4'-P energy: -77.406 bonds (distance) P-C4' energy: -109.203 flat angles C4'-P-C4' energy: -91.268 flat angles P-C4'-P energy: -61.153 tors. eta vs tors. theta energy: -64.211 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: 7 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -1169.268383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.268383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.268383 (E_RNA) where: Base-Base interactions energy: -767.493 where: short stacking energy: -339.386 Base-Backbone interact. energy: -1.132 local terms energy: -400.643285 where: bonds (distance) C4'-P energy: -83.825 bonds (distance) P-C4' energy: -97.230 flat angles C4'-P-C4' energy: -80.019 flat angles P-C4'-P energy: -59.786 tors. eta vs tors. theta energy: -79.783 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: 2 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1915.292404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.292404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.292404 (E_RNA) where: Base-Base interactions energy: -1331.947 where: short stacking energy: -560.031 Base-Backbone interact. energy: -0.562 local terms energy: -582.783383 where: bonds (distance) C4'-P energy: -102.625 bonds (distance) P-C4' energy: -106.377 flat angles C4'-P-C4' energy: -123.670 flat angles P-C4'-P energy: -90.075 tors. eta vs tors. theta energy: -160.037 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: 8 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1900.278283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.278283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.278283 (E_RNA) where: Base-Base interactions energy: -1328.708 where: short stacking energy: -551.819 Base-Backbone interact. energy: -0.233 local terms energy: -571.337047 where: bonds (distance) C4'-P energy: -102.794 bonds (distance) P-C4' energy: -107.238 flat angles C4'-P-C4' energy: -121.039 flat angles P-C4'-P energy: -84.882 tors. eta vs tors. theta energy: -155.385 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: 3, replica: 3 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1846.530789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.530789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.530789 (E_RNA) where: Base-Base interactions energy: -1291.282 where: short stacking energy: -529.635 Base-Backbone interact. energy: -1.454 local terms energy: -553.794908 where: bonds (distance) C4'-P energy: -96.664 bonds (distance) P-C4' energy: -110.330 flat angles C4'-P-C4' energy: -109.031 flat angles P-C4'-P energy: -78.654 tors. eta vs tors. theta energy: -159.116 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: 4, replica: 1 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1763.877579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.877579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.877579 (E_RNA) where: Base-Base interactions energy: -1236.019 where: short stacking energy: -523.358 Base-Backbone interact. energy: 3.816 local terms energy: -531.675171 where: bonds (distance) C4'-P energy: -85.726 bonds (distance) P-C4' energy: -102.278 flat angles C4'-P-C4' energy: -112.887 flat angles P-C4'-P energy: -82.797 tors. eta vs tors. theta energy: -147.988 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: 5, replica: 4 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1730.531695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.531695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.531695 (E_RNA) where: Base-Base interactions energy: -1229.112 where: short stacking energy: -504.787 Base-Backbone interact. energy: 0.110 local terms energy: -501.530280 where: bonds (distance) C4'-P energy: -86.812 bonds (distance) P-C4' energy: -100.064 flat angles C4'-P-C4' energy: -110.974 flat angles P-C4'-P energy: -66.231 tors. eta vs tors. theta energy: -137.450 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: 9 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1628.982087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.982087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.982087 (E_RNA) where: Base-Base interactions energy: -1132.836 where: short stacking energy: -468.410 Base-Backbone interact. energy: -1.255 local terms energy: -494.891243 where: bonds (distance) C4'-P energy: -86.263 bonds (distance) P-C4' energy: -103.428 flat angles C4'-P-C4' energy: -104.749 flat angles P-C4'-P energy: -71.393 tors. eta vs tors. theta energy: -129.058 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: 7, replica: 5 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1530.600008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.600008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.600008 (E_RNA) where: Base-Base interactions energy: -1045.101 where: short stacking energy: -435.872 Base-Backbone interact. energy: -0.110 local terms energy: -485.388978 where: bonds (distance) C4'-P energy: -82.796 bonds (distance) P-C4' energy: -106.577 flat angles C4'-P-C4' energy: -92.994 flat angles P-C4'-P energy: -76.847 tors. eta vs tors. theta energy: -126.175 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: 10 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1293.097895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.097895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.097895 (E_RNA) where: Base-Base interactions energy: -848.165 where: short stacking energy: -394.672 Base-Backbone interact. energy: 1.929 local terms energy: -446.862154 where: bonds (distance) C4'-P energy: -94.776 bonds (distance) P-C4' energy: -91.042 flat angles C4'-P-C4' energy: -100.632 flat angles P-C4'-P energy: -67.512 tors. eta vs tors. theta energy: -92.900 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: 6 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1139.790824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.790824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.790824 (E_RNA) where: Base-Base interactions energy: -737.394 where: short stacking energy: -329.303 Base-Backbone interact. energy: 0.177 local terms energy: -402.573591 where: bonds (distance) C4'-P energy: -80.716 bonds (distance) P-C4' energy: -98.479 flat angles C4'-P-C4' energy: -82.953 flat angles P-C4'-P energy: -69.345 tors. eta vs tors. theta energy: -71.080 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: 7 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -1160.574721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.574721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.574721 (E_RNA) where: Base-Base interactions energy: -758.491 where: short stacking energy: -323.665 Base-Backbone interact. energy: 0.367 local terms energy: -402.451176 where: bonds (distance) C4'-P energy: -91.875 bonds (distance) P-C4' energy: -100.907 flat angles C4'-P-C4' energy: -77.231 flat angles P-C4'-P energy: -67.668 tors. eta vs tors. theta energy: -64.771 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: 1, replica: 2 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1924.234732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.234732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.234732 (E_RNA) where: Base-Base interactions energy: -1344.876 where: short stacking energy: -570.144 Base-Backbone interact. energy: -2.067 local terms energy: -577.291812 where: bonds (distance) C4'-P energy: -100.083 bonds (distance) P-C4' energy: -108.493 flat angles C4'-P-C4' energy: -123.598 flat angles P-C4'-P energy: -79.852 tors. eta vs tors. theta energy: -165.265 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: 2, replica: 8 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1884.930152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.930152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.930152 (E_RNA) where: Base-Base interactions energy: -1298.362 where: short stacking energy: -545.757 Base-Backbone interact. energy: -1.362 local terms energy: -585.205874 where: bonds (distance) C4'-P energy: -100.782 bonds (distance) P-C4' energy: -120.194 flat angles C4'-P-C4' energy: -115.952 flat angles P-C4'-P energy: -92.555 tors. eta vs tors. theta energy: -155.723 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: 3, replica: 1 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1805.980831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.980831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.980831 (E_RNA) where: Base-Base interactions energy: -1273.484 where: short stacking energy: -529.801 Base-Backbone interact. energy: -2.645 local terms energy: -529.851219 where: bonds (distance) C4'-P energy: -95.565 bonds (distance) P-C4' energy: -100.434 flat angles C4'-P-C4' energy: -113.479 flat angles P-C4'-P energy: -77.023 tors. eta vs tors. theta energy: -143.350 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: 3 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1846.478767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.478767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.478767 (E_RNA) where: Base-Base interactions energy: -1295.563 where: short stacking energy: -516.547 Base-Backbone interact. energy: 1.784 local terms energy: -552.699427 where: bonds (distance) C4'-P energy: -92.373 bonds (distance) P-C4' energy: -107.375 flat angles C4'-P-C4' energy: -119.378 flat angles P-C4'-P energy: -79.604 tors. eta vs tors. theta energy: -153.969 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: 4 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1694.381178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.381178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.381178 (E_RNA) where: Base-Base interactions energy: -1167.936 where: short stacking energy: -475.714 Base-Backbone interact. energy: 3.481 local terms energy: -529.926742 where: bonds (distance) C4'-P energy: -101.134 bonds (distance) P-C4' energy: -115.794 flat angles C4'-P-C4' energy: -108.953 flat angles P-C4'-P energy: -74.512 tors. eta vs tors. theta energy: -129.534 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: 6, replica: 9 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1668.507665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.507665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.507665 (E_RNA) where: Base-Base interactions energy: -1153.211 where: short stacking energy: -489.881 Base-Backbone interact. energy: -0.347 local terms energy: -514.950044 where: bonds (distance) C4'-P energy: -81.375 bonds (distance) P-C4' energy: -103.915 flat angles C4'-P-C4' energy: -115.286 flat angles P-C4'-P energy: -72.475 tors. eta vs tors. theta energy: -141.900 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: 5 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1499.806196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.806196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.806196 (E_RNA) where: Base-Base interactions energy: -1039.739 where: short stacking energy: -446.220 Base-Backbone interact. energy: -0.889 local terms energy: -459.177950 where: bonds (distance) C4'-P energy: -65.413 bonds (distance) P-C4' energy: -107.120 flat angles C4'-P-C4' energy: -110.229 flat angles P-C4'-P energy: -62.134 tors. eta vs tors. theta energy: -114.282 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: 10 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1305.518752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.518752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.518752 (E_RNA) where: Base-Base interactions energy: -869.231 where: short stacking energy: -389.481 Base-Backbone interact. energy: 2.183 local terms energy: -438.470542 where: bonds (distance) C4'-P energy: -88.610 bonds (distance) P-C4' energy: -96.557 flat angles C4'-P-C4' energy: -103.795 flat angles P-C4'-P energy: -66.291 tors. eta vs tors. theta energy: -83.217 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: 9, replica: 7 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1223.757348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.757348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.757348 (E_RNA) where: Base-Base interactions energy: -789.655 where: short stacking energy: -360.286 Base-Backbone interact. energy: -0.823 local terms energy: -433.279081 where: bonds (distance) C4'-P energy: -99.994 bonds (distance) P-C4' energy: -84.919 flat angles C4'-P-C4' energy: -99.411 flat angles P-C4'-P energy: -64.124 tors. eta vs tors. theta energy: -84.831 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: 6 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -1121.389403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.389403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.389403 (E_RNA) where: Base-Base interactions energy: -737.880 where: short stacking energy: -316.247 Base-Backbone interact. energy: 6.112 local terms energy: -389.621397 where: bonds (distance) C4'-P energy: -70.112 bonds (distance) P-C4' energy: -101.257 flat angles C4'-P-C4' energy: -101.086 flat angles P-C4'-P energy: -66.548 tors. eta vs tors. theta energy: -50.619 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: 1, replica: 2 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1914.386871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.386871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.386871 (E_RNA) where: Base-Base interactions energy: -1331.916 where: short stacking energy: -544.713 Base-Backbone interact. energy: 5.104 local terms energy: -587.574487 where: bonds (distance) C4'-P energy: -103.261 bonds (distance) P-C4' energy: -113.447 flat angles C4'-P-C4' energy: -119.623 flat angles P-C4'-P energy: -88.510 tors. eta vs tors. theta energy: -162.733 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: 2, replica: 8 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1913.142438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.142438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.142438 (E_RNA) where: Base-Base interactions energy: -1348.873 where: short stacking energy: -556.770 Base-Backbone interact. energy: -0.829 local terms energy: -563.440098 where: bonds (distance) C4'-P energy: -103.906 bonds (distance) P-C4' energy: -112.948 flat angles C4'-P-C4' energy: -112.179 flat angles P-C4'-P energy: -78.116 tors. eta vs tors. theta energy: -156.292 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: 3, replica: 1 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1807.210704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.210704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.210704 (E_RNA) where: Base-Base interactions energy: -1265.890 where: short stacking energy: -501.738 Base-Backbone interact. energy: -1.912 local terms energy: -539.408669 where: bonds (distance) C4'-P energy: -98.403 bonds (distance) P-C4' energy: -102.931 flat angles C4'-P-C4' energy: -119.070 flat angles P-C4'-P energy: -82.660 tors. eta vs tors. theta energy: -136.345 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: 3 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1843.911890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.911890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.911890 (E_RNA) where: Base-Base interactions energy: -1306.317 where: short stacking energy: -556.109 Base-Backbone interact. energy: -2.235 local terms energy: -535.358957 where: bonds (distance) C4'-P energy: -94.581 bonds (distance) P-C4' energy: -113.140 flat angles C4'-P-C4' energy: -111.933 flat angles P-C4'-P energy: -62.805 tors. eta vs tors. theta energy: -152.901 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: 5, replica: 4 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1695.260556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.260556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.260556 (E_RNA) where: Base-Base interactions energy: -1179.789 where: short stacking energy: -503.591 Base-Backbone interact. energy: 0.315 local terms energy: -515.786496 where: bonds (distance) C4'-P energy: -88.309 bonds (distance) P-C4' energy: -114.003 flat angles C4'-P-C4' energy: -104.253 flat angles P-C4'-P energy: -73.021 tors. eta vs tors. theta energy: -136.201 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: 6, replica: 9 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1672.174902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.174902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.174902 (E_RNA) where: Base-Base interactions energy: -1156.476 where: short stacking energy: -474.423 Base-Backbone interact. energy: -1.434 local terms energy: -514.264750 where: bonds (distance) C4'-P energy: -92.835 bonds (distance) P-C4' energy: -105.716 flat angles C4'-P-C4' energy: -115.516 flat angles P-C4'-P energy: -62.674 tors. eta vs tors. theta energy: -137.524 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: 7, replica: 5 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1491.181431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.181431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.181431 (E_RNA) where: Base-Base interactions energy: -1029.545 where: short stacking energy: -434.293 Base-Backbone interact. energy: -0.426 local terms energy: -461.210451 where: bonds (distance) C4'-P energy: -85.698 bonds (distance) P-C4' energy: -97.496 flat angles C4'-P-C4' energy: -96.961 flat angles P-C4'-P energy: -71.494 tors. eta vs tors. theta energy: -109.562 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: 10 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1272.152443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.152443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.152443 (E_RNA) where: Base-Base interactions energy: -849.537 where: short stacking energy: -373.207 Base-Backbone interact. energy: 1.667 local terms energy: -424.282885 where: bonds (distance) C4'-P energy: -85.905 bonds (distance) P-C4' energy: -104.846 flat angles C4'-P-C4' energy: -89.095 flat angles P-C4'-P energy: -62.634 tors. eta vs tors. theta energy: -81.802 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: 7 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1170.145467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.145467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.145467 (E_RNA) where: Base-Base interactions energy: -781.158 where: short stacking energy: -341.234 Base-Backbone interact. energy: 4.793 local terms energy: -393.780327 where: bonds (distance) C4'-P energy: -83.289 bonds (distance) P-C4' energy: -98.421 flat angles C4'-P-C4' energy: -88.653 flat angles P-C4'-P energy: -58.787 tors. eta vs tors. theta energy: -64.631 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: 10, replica: 6 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -1105.048343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.048343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.048343 (E_RNA) where: Base-Base interactions energy: -707.708 where: short stacking energy: -314.097 Base-Backbone interact. energy: 3.076 local terms energy: -400.416030 where: bonds (distance) C4'-P energy: -93.102 bonds (distance) P-C4' energy: -99.634 flat angles C4'-P-C4' energy: -86.867 flat angles P-C4'-P energy: -67.875 tors. eta vs tors. theta energy: -52.938 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: 2 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1922.802524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.802524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.802524 (E_RNA) where: Base-Base interactions energy: -1353.043 where: short stacking energy: -548.706 Base-Backbone interact. energy: -2.160 local terms energy: -567.600038 where: bonds (distance) C4'-P energy: -102.695 bonds (distance) P-C4' energy: -110.299 flat angles C4'-P-C4' energy: -115.338 flat angles P-C4'-P energy: -78.187 tors. eta vs tors. theta energy: -161.081 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: 8 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1884.137992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.137992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.137992 (E_RNA) where: Base-Base interactions energy: -1323.835 where: short stacking energy: -547.473 Base-Backbone interact. energy: 1.444 local terms energy: -561.746860 where: bonds (distance) C4'-P energy: -89.982 bonds (distance) P-C4' energy: -108.965 flat angles C4'-P-C4' energy: -122.307 flat angles P-C4'-P energy: -78.733 tors. eta vs tors. theta energy: -161.759 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: 3 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1867.488038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.488038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.488038 (E_RNA) where: Base-Base interactions energy: -1315.534 where: short stacking energy: -539.155 Base-Backbone interact. energy: -2.675 local terms energy: -549.279693 where: bonds (distance) C4'-P energy: -92.811 bonds (distance) P-C4' energy: -103.619 flat angles C4'-P-C4' energy: -120.356 flat angles P-C4'-P energy: -77.678 tors. eta vs tors. theta energy: -154.816 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: 1 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1806.246331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.246331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.246331 (E_RNA) where: Base-Base interactions energy: -1261.903 where: short stacking energy: -499.311 Base-Backbone interact. energy: -1.721 local terms energy: -542.622393 where: bonds (distance) C4'-P energy: -104.418 bonds (distance) P-C4' energy: -107.290 flat angles C4'-P-C4' energy: -113.206 flat angles P-C4'-P energy: -70.128 tors. eta vs tors. theta energy: -147.580 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: 5, replica: 4 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1704.147853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.147853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.147853 (E_RNA) where: Base-Base interactions energy: -1187.156 where: short stacking energy: -498.113 Base-Backbone interact. energy: 0.529 local terms energy: -517.520304 where: bonds (distance) C4'-P energy: -91.901 bonds (distance) P-C4' energy: -103.310 flat angles C4'-P-C4' energy: -108.360 flat angles P-C4'-P energy: -73.040 tors. eta vs tors. theta energy: -140.910 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: 9 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1642.839376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.839376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.839376 (E_RNA) where: Base-Base interactions energy: -1144.092 where: short stacking energy: -494.766 Base-Backbone interact. energy: -0.775 local terms energy: -497.972587 where: bonds (distance) C4'-P energy: -85.401 bonds (distance) P-C4' energy: -95.394 flat angles C4'-P-C4' energy: -107.512 flat angles P-C4'-P energy: -68.706 tors. eta vs tors. theta energy: -140.959 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: 7, replica: 5 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1473.860362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.860362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.860362 (E_RNA) where: Base-Base interactions energy: -999.997 where: short stacking energy: -415.488 Base-Backbone interact. energy: -1.545 local terms energy: -472.318114 where: bonds (distance) C4'-P energy: -100.122 bonds (distance) P-C4' energy: -100.326 flat angles C4'-P-C4' energy: -106.674 flat angles P-C4'-P energy: -63.966 tors. eta vs tors. theta energy: -101.230 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: 8, replica: 10 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1309.846294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.846294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.846294 (E_RNA) where: Base-Base interactions energy: -856.813 where: short stacking energy: -385.263 Base-Backbone interact. energy: 3.303 local terms energy: -456.335340 where: bonds (distance) C4'-P energy: -93.823 bonds (distance) P-C4' energy: -102.254 flat angles C4'-P-C4' energy: -99.454 flat angles P-C4'-P energy: -67.779 tors. eta vs tors. theta energy: -93.025 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: 9, replica: 7 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1187.409999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.409999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.409999 (E_RNA) where: Base-Base interactions energy: -789.467 where: short stacking energy: -344.585 Base-Backbone interact. energy: 0.610 local terms energy: -398.553102 where: bonds (distance) C4'-P energy: -76.973 bonds (distance) P-C4' energy: -90.950 flat angles C4'-P-C4' energy: -93.297 flat angles P-C4'-P energy: -66.584 tors. eta vs tors. theta energy: -70.749 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: 10, replica: 6 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -1125.692423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.692423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.692423 (E_RNA) where: Base-Base interactions energy: -720.839 where: short stacking energy: -325.634 Base-Backbone interact. energy: 2.590 local terms energy: -407.443488 where: bonds (distance) C4'-P energy: -88.294 bonds (distance) P-C4' energy: -95.169 flat angles C4'-P-C4' energy: -93.059 flat angles P-C4'-P energy: -60.134 tors. eta vs tors. theta energy: -70.788 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: 2 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1921.200932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.200932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.200932 (E_RNA) where: Base-Base interactions energy: -1357.335 where: short stacking energy: -561.640 Base-Backbone interact. energy: 1.036 local terms energy: -564.902021 where: bonds (distance) C4'-P energy: -97.769 bonds (distance) P-C4' energy: -111.605 flat angles C4'-P-C4' energy: -109.869 flat angles P-C4'-P energy: -84.906 tors. eta vs tors. theta energy: -160.752 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: 2, replica: 3 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1883.478090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.478090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.478090 (E_RNA) where: Base-Base interactions energy: -1329.780 where: short stacking energy: -533.773 Base-Backbone interact. energy: 2.715 local terms energy: -556.412315 where: bonds (distance) C4'-P energy: -95.077 bonds (distance) P-C4' energy: -104.338 flat angles C4'-P-C4' energy: -120.474 flat angles P-C4'-P energy: -85.209 tors. eta vs tors. theta energy: -151.314 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: 8 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1875.760863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.760863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.760863 (E_RNA) where: Base-Base interactions energy: -1310.364 where: short stacking energy: -562.329 Base-Backbone interact. energy: 2.340 local terms energy: -567.737424 where: bonds (distance) C4'-P energy: -95.357 bonds (distance) P-C4' energy: -112.848 flat angles C4'-P-C4' energy: -119.618 flat angles P-C4'-P energy: -79.671 tors. eta vs tors. theta energy: -160.243 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: 1 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1786.786566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.786566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.786566 (E_RNA) where: Base-Base interactions energy: -1259.115 where: short stacking energy: -505.698 Base-Backbone interact. energy: 1.610 local terms energy: -529.281425 where: bonds (distance) C4'-P energy: -102.329 bonds (distance) P-C4' energy: -105.524 flat angles C4'-P-C4' energy: -104.258 flat angles P-C4'-P energy: -73.489 tors. eta vs tors. theta energy: -143.681 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: 5, replica: 4 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1704.983665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.983665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.983665 (E_RNA) where: Base-Base interactions energy: -1200.026 where: short stacking energy: -501.813 Base-Backbone interact. energy: 2.445 local terms energy: -507.402189 where: bonds (distance) C4'-P energy: -83.404 bonds (distance) P-C4' energy: -102.793 flat angles C4'-P-C4' energy: -110.509 flat angles P-C4'-P energy: -68.258 tors. eta vs tors. theta energy: -142.439 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: 6, replica: 9 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1665.392129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.392129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.392129 (E_RNA) where: Base-Base interactions energy: -1141.125 where: short stacking energy: -484.640 Base-Backbone interact. energy: -1.672 local terms energy: -522.595016 where: bonds (distance) C4'-P energy: -93.714 bonds (distance) P-C4' energy: -97.707 flat angles C4'-P-C4' energy: -112.238 flat angles P-C4'-P energy: -74.783 tors. eta vs tors. theta energy: -144.154 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: 7, replica: 5 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1473.650638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.650638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.650638 (E_RNA) where: Base-Base interactions energy: -992.776 where: short stacking energy: -410.265 Base-Backbone interact. energy: 0.567 local terms energy: -481.441833 where: bonds (distance) C4'-P energy: -101.933 bonds (distance) P-C4' energy: -90.168 flat angles C4'-P-C4' energy: -106.922 flat angles P-C4'-P energy: -73.214 tors. eta vs tors. theta energy: -109.204 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: 8, replica: 10 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1284.705941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.705941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.705941 (E_RNA) where: Base-Base interactions energy: -864.444 where: short stacking energy: -367.484 Base-Backbone interact. energy: 1.120 local terms energy: -421.381696 where: bonds (distance) C4'-P energy: -80.775 bonds (distance) P-C4' energy: -110.072 flat angles C4'-P-C4' energy: -94.967 flat angles P-C4'-P energy: -63.619 tors. eta vs tors. theta energy: -71.948 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: 7 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1144.400148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.400148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.400148 (E_RNA) where: Base-Base interactions energy: -739.539 where: short stacking energy: -339.656 Base-Backbone interact. energy: -0.941 local terms energy: -403.919883 where: bonds (distance) C4'-P energy: -77.321 bonds (distance) P-C4' energy: -102.281 flat angles C4'-P-C4' energy: -94.792 flat angles P-C4'-P energy: -62.028 tors. eta vs tors. theta energy: -67.499 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: 10, replica: 6 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -1120.784969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.784969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.784969 (E_RNA) where: Base-Base interactions energy: -729.108 where: short stacking energy: -318.465 Base-Backbone interact. energy: 0.354 local terms energy: -392.031105 where: bonds (distance) C4'-P energy: -80.860 bonds (distance) P-C4' energy: -106.923 flat angles C4'-P-C4' energy: -98.285 flat angles P-C4'-P energy: -46.321 tors. eta vs tors. theta energy: -59.642 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: 3 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1919.588901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.588901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.588901 (E_RNA) where: Base-Base interactions energy: -1328.629 where: short stacking energy: -557.254 Base-Backbone interact. energy: -1.157 local terms energy: -589.803371 where: bonds (distance) C4'-P energy: -103.890 bonds (distance) P-C4' energy: -122.943 flat angles C4'-P-C4' energy: -111.965 flat angles P-C4'-P energy: -93.543 tors. eta vs tors. theta energy: -157.463 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: 2, replica: 2 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1880.048824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.048824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.048824 (E_RNA) where: Base-Base interactions energy: -1321.656 where: short stacking energy: -558.036 Base-Backbone interact. energy: -1.873 local terms energy: -556.519661 where: bonds (distance) C4'-P energy: -92.115 bonds (distance) P-C4' energy: -105.376 flat angles C4'-P-C4' energy: -112.277 flat angles P-C4'-P energy: -84.061 tors. eta vs tors. theta energy: -162.691 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: 3, replica: 8 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1857.884659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.884659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.884659 (E_RNA) where: Base-Base interactions energy: -1304.001 where: short stacking energy: -522.391 Base-Backbone interact. energy: 1.013 local terms energy: -554.896544 where: bonds (distance) C4'-P energy: -99.369 bonds (distance) P-C4' energy: -106.709 flat angles C4'-P-C4' energy: -118.506 flat angles P-C4'-P energy: -79.897 tors. eta vs tors. theta energy: -150.415 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: 4, replica: 1 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1811.639067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.639067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.639067 (E_RNA) where: Base-Base interactions energy: -1266.369 where: short stacking energy: -513.331 Base-Backbone interact. energy: 2.882 local terms energy: -548.152705 where: bonds (distance) C4'-P energy: -84.192 bonds (distance) P-C4' energy: -115.920 flat angles C4'-P-C4' energy: -119.387 flat angles P-C4'-P energy: -82.263 tors. eta vs tors. theta energy: -146.391 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: 464 Temperature: 1.100000 Total energy: -1701.186578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.186578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.186578 (E_RNA) where: Base-Base interactions energy: -1187.054 where: short stacking energy: -476.160 Base-Backbone interact. energy: -0.704 local terms energy: -513.428305 where: bonds (distance) C4'-P energy: -82.130 bonds (distance) P-C4' energy: -109.786 flat angles C4'-P-C4' energy: -110.114 flat angles P-C4'-P energy: -75.813 tors. eta vs tors. theta energy: -135.585 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: 6, replica: 9 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1638.752495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.752495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.752495 (E_RNA) where: Base-Base interactions energy: -1126.457 where: short stacking energy: -484.795 Base-Backbone interact. energy: -1.607 local terms energy: -510.688723 where: bonds (distance) C4'-P energy: -86.557 bonds (distance) P-C4' energy: -107.353 flat angles C4'-P-C4' energy: -107.219 flat angles P-C4'-P energy: -74.883 tors. eta vs tors. theta energy: -134.678 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: 7, replica: 5 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1496.505993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.505993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.505993 (E_RNA) where: Base-Base interactions energy: -1006.147 where: short stacking energy: -428.836 Base-Backbone interact. energy: -3.506 local terms energy: -486.852708 where: bonds (distance) C4'-P energy: -85.975 bonds (distance) P-C4' energy: -110.616 flat angles C4'-P-C4' energy: -106.958 flat angles P-C4'-P energy: -74.029 tors. eta vs tors. theta energy: -109.274 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: 8, replica: 10 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1355.433642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.433642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.433642 (E_RNA) where: Base-Base interactions energy: -918.700 where: short stacking energy: -403.503 Base-Backbone interact. energy: 10.849 local terms energy: -447.582374 where: bonds (distance) C4'-P energy: -81.982 bonds (distance) P-C4' energy: -110.284 flat angles C4'-P-C4' energy: -101.625 flat angles P-C4'-P energy: -61.291 tors. eta vs tors. theta energy: -92.399 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: 9, replica: 7 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1120.562761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.562761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.562761 (E_RNA) where: Base-Base interactions energy: -754.020 where: short stacking energy: -328.237 Base-Backbone interact. energy: 2.271 local terms energy: -368.813593 where: bonds (distance) C4'-P energy: -79.655 bonds (distance) P-C4' energy: -91.555 flat angles C4'-P-C4' energy: -80.786 flat angles P-C4'-P energy: -56.153 tors. eta vs tors. theta energy: -60.665 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: 6 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -1112.121950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.121950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.121950 (E_RNA) where: Base-Base interactions energy: -697.452 where: short stacking energy: -313.169 Base-Backbone interact. energy: 1.346 local terms energy: -416.016316 where: bonds (distance) C4'-P energy: -95.363 bonds (distance) P-C4' energy: -105.808 flat angles C4'-P-C4' energy: -87.439 flat angles P-C4'-P energy: -62.657 tors. eta vs tors. theta energy: -64.750 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: 3 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1929.308983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.308983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.308983 (E_RNA) where: Base-Base interactions energy: -1360.837 where: short stacking energy: -563.736 Base-Backbone interact. energy: -1.396 local terms energy: -567.076242 where: bonds (distance) C4'-P energy: -103.288 bonds (distance) P-C4' energy: -115.256 flat angles C4'-P-C4' energy: -113.831 flat angles P-C4'-P energy: -75.863 tors. eta vs tors. theta energy: -158.838 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: 2, replica: 8 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1889.251384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.251384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.251384 (E_RNA) where: Base-Base interactions energy: -1321.307 where: short stacking energy: -532.929 Base-Backbone interact. energy: 1.092 local terms energy: -569.036408 where: bonds (distance) C4'-P energy: -100.464 bonds (distance) P-C4' energy: -121.692 flat angles C4'-P-C4' energy: -115.028 flat angles P-C4'-P energy: -75.798 tors. eta vs tors. theta energy: -156.054 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: 2 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1881.790948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.790948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.790948 (E_RNA) where: Base-Base interactions energy: -1320.297 where: short stacking energy: -546.248 Base-Backbone interact. energy: 3.075 local terms energy: -564.568831 where: bonds (distance) C4'-P energy: -93.622 bonds (distance) P-C4' energy: -116.874 flat angles C4'-P-C4' energy: -114.570 flat angles P-C4'-P energy: -82.739 tors. eta vs tors. theta energy: -156.764 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: 4, replica: 1 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1823.941112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.941112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.941112 (E_RNA) where: Base-Base interactions energy: -1275.003 where: short stacking energy: -507.858 Base-Backbone interact. energy: -2.988 local terms energy: -545.949854 where: bonds (distance) C4'-P energy: -92.774 bonds (distance) P-C4' energy: -113.953 flat angles C4'-P-C4' energy: -110.860 flat angles P-C4'-P energy: -77.921 tors. eta vs tors. theta energy: -150.443 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: 4 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1725.593437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.593437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.593437 (E_RNA) where: Base-Base interactions energy: -1211.946 where: short stacking energy: -498.714 Base-Backbone interact. energy: -1.719 local terms energy: -511.929008 where: bonds (distance) C4'-P energy: -100.541 bonds (distance) P-C4' energy: -86.198 flat angles C4'-P-C4' energy: -114.671 flat angles P-C4'-P energy: -81.681 tors. eta vs tors. theta energy: -128.839 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: 6, replica: 9 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1646.114758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.114758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.114758 (E_RNA) where: Base-Base interactions energy: -1149.703 where: short stacking energy: -483.601 Base-Backbone interact. energy: 4.659 local terms energy: -501.070801 where: bonds (distance) C4'-P energy: -82.171 bonds (distance) P-C4' energy: -111.119 flat angles C4'-P-C4' energy: -107.973 flat angles P-C4'-P energy: -65.566 tors. eta vs tors. theta energy: -134.242 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: 7, replica: 5 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1494.098607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.098607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.098607 (E_RNA) where: Base-Base interactions energy: -1009.664 where: short stacking energy: -412.731 Base-Backbone interact. energy: 1.103 local terms energy: -485.537665 where: bonds (distance) C4'-P energy: -94.014 bonds (distance) P-C4' energy: -101.682 flat angles C4'-P-C4' energy: -109.146 flat angles P-C4'-P energy: -72.536 tors. eta vs tors. theta energy: -108.159 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: 8, replica: 10 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1322.569719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.569719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.569719 (E_RNA) where: Base-Base interactions energy: -893.169 where: short stacking energy: -387.661 Base-Backbone interact. energy: 1.883 local terms energy: -431.284510 where: bonds (distance) C4'-P energy: -75.574 bonds (distance) P-C4' energy: -114.080 flat angles C4'-P-C4' energy: -95.664 flat angles P-C4'-P energy: -58.936 tors. eta vs tors. theta energy: -87.031 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: 7 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1141.301344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.301344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.301344 (E_RNA) where: Base-Base interactions energy: -732.504 where: short stacking energy: -322.633 Base-Backbone interact. energy: 0.459 local terms energy: -409.256381 where: bonds (distance) C4'-P energy: -93.144 bonds (distance) P-C4' energy: -113.103 flat angles C4'-P-C4' energy: -87.178 flat angles P-C4'-P energy: -59.335 tors. eta vs tors. theta energy: -56.496 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: 6 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -1087.702407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.702407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.702407 (E_RNA) where: Base-Base interactions energy: -690.455 where: short stacking energy: -305.533 Base-Backbone interact. energy: -2.025 local terms energy: -395.221682 where: bonds (distance) C4'-P energy: -93.670 bonds (distance) P-C4' energy: -87.168 flat angles C4'-P-C4' energy: -97.119 flat angles P-C4'-P energy: -59.007 tors. eta vs tors. theta energy: -58.257 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: 1, replica: 3 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1934.833537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.833537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.833537 (E_RNA) where: Base-Base interactions energy: -1355.305 where: short stacking energy: -549.292 Base-Backbone interact. energy: -0.715 local terms energy: -578.813010 where: bonds (distance) C4'-P energy: -108.005 bonds (distance) P-C4' energy: -113.311 flat angles C4'-P-C4' energy: -115.147 flat angles P-C4'-P energy: -84.777 tors. eta vs tors. theta energy: -157.572 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: 2, replica: 8 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1885.217127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.217127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.217127 (E_RNA) where: Base-Base interactions energy: -1313.927 where: short stacking energy: -549.555 Base-Backbone interact. energy: -0.256 local terms energy: -571.033884 where: bonds (distance) C4'-P energy: -100.121 bonds (distance) P-C4' energy: -104.398 flat angles C4'-P-C4' energy: -121.000 flat angles P-C4'-P energy: -86.655 tors. eta vs tors. theta energy: -158.860 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: 2 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1850.301286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.301286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.301286 (E_RNA) where: Base-Base interactions energy: -1298.206 where: short stacking energy: -542.775 Base-Backbone interact. energy: -1.166 local terms energy: -550.929144 where: bonds (distance) C4'-P energy: -96.736 bonds (distance) P-C4' energy: -101.330 flat angles C4'-P-C4' energy: -114.926 flat angles P-C4'-P energy: -80.427 tors. eta vs tors. theta energy: -157.510 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: 4, replica: 1 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1818.316312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.316312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.316312 (E_RNA) where: Base-Base interactions energy: -1258.959 where: short stacking energy: -503.748 Base-Backbone interact. energy: 0.071 local terms energy: -559.428548 where: bonds (distance) C4'-P energy: -103.045 bonds (distance) P-C4' energy: -109.425 flat angles C4'-P-C4' energy: -118.597 flat angles P-C4'-P energy: -83.949 tors. eta vs tors. theta energy: -144.413 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: 5, replica: 4 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1733.143346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.143346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.143346 (E_RNA) where: Base-Base interactions energy: -1217.907 where: short stacking energy: -493.351 Base-Backbone interact. energy: -1.550 local terms energy: -513.686500 where: bonds (distance) C4'-P energy: -95.198 bonds (distance) P-C4' energy: -99.945 flat angles C4'-P-C4' energy: -110.479 flat angles P-C4'-P energy: -78.940 tors. eta vs tors. theta energy: -129.125 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: 6, replica: 9 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1642.379994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.379994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.379994 (E_RNA) where: Base-Base interactions energy: -1140.278 where: short stacking energy: -470.636 Base-Backbone interact. energy: -1.188 local terms energy: -500.913539 where: bonds (distance) C4'-P energy: -82.632 bonds (distance) P-C4' energy: -104.279 flat angles C4'-P-C4' energy: -102.801 flat angles P-C4'-P energy: -76.504 tors. eta vs tors. theta energy: -134.697 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: 7, replica: 5 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1488.287857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.287857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.287857 (E_RNA) where: Base-Base interactions energy: -1032.641 where: short stacking energy: -447.820 Base-Backbone interact. energy: 5.109 local terms energy: -460.754959 where: bonds (distance) C4'-P energy: -87.664 bonds (distance) P-C4' energy: -94.160 flat angles C4'-P-C4' energy: -100.556 flat angles P-C4'-P energy: -59.002 tors. eta vs tors. theta energy: -119.373 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: 10 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1307.644833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.644833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.644833 (E_RNA) where: Base-Base interactions energy: -861.250 where: short stacking energy: -389.688 Base-Backbone interact. energy: 0.174 local terms energy: -446.568362 where: bonds (distance) C4'-P energy: -83.289 bonds (distance) P-C4' energy: -97.416 flat angles C4'-P-C4' energy: -99.930 flat angles P-C4'-P energy: -75.018 tors. eta vs tors. theta energy: -90.916 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: 7 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1120.776865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.776865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.776865 (E_RNA) where: Base-Base interactions energy: -719.317 where: short stacking energy: -313.366 Base-Backbone interact. energy: 2.421 local terms energy: -403.880362 where: bonds (distance) C4'-P energy: -93.806 bonds (distance) P-C4' energy: -97.635 flat angles C4'-P-C4' energy: -85.947 flat angles P-C4'-P energy: -66.944 tors. eta vs tors. theta energy: -59.549 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: 10, replica: 6 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -1107.335630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.335630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.335630 (E_RNA) where: Base-Base interactions energy: -733.913 where: short stacking energy: -344.032 Base-Backbone interact. energy: 0.044 local terms energy: -373.466617 where: bonds (distance) C4'-P energy: -77.426 bonds (distance) P-C4' energy: -74.735 flat angles C4'-P-C4' energy: -100.890 flat angles P-C4'-P energy: -55.110 tors. eta vs tors. theta energy: -65.305 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: 3 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1931.060472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.060472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.060472 (E_RNA) where: Base-Base interactions energy: -1347.444 where: short stacking energy: -554.552 Base-Backbone interact. energy: 1.210 local terms energy: -584.826062 where: bonds (distance) C4'-P energy: -92.496 bonds (distance) P-C4' energy: -121.849 flat angles C4'-P-C4' energy: -121.729 flat angles P-C4'-P energy: -88.733 tors. eta vs tors. theta energy: -160.020 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: 8 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1888.223204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.223204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.223204 (E_RNA) where: Base-Base interactions energy: -1316.347 where: short stacking energy: -535.071 Base-Backbone interact. energy: -1.513 local terms energy: -570.362374 where: bonds (distance) C4'-P energy: -91.773 bonds (distance) P-C4' energy: -120.058 flat angles C4'-P-C4' energy: -119.581 flat angles P-C4'-P energy: -79.871 tors. eta vs tors. theta energy: -159.080 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: 3, replica: 2 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1855.739197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.739197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.739197 (E_RNA) where: Base-Base interactions energy: -1299.336 where: short stacking energy: -553.528 Base-Backbone interact. energy: 1.073 local terms energy: -557.476240 where: bonds (distance) C4'-P energy: -100.101 bonds (distance) P-C4' energy: -105.138 flat angles C4'-P-C4' energy: -120.217 flat angles P-C4'-P energy: -71.246 tors. eta vs tors. theta energy: -160.773 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: 1 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1812.763570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.763570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.763570 (E_RNA) where: Base-Base interactions energy: -1273.670 where: short stacking energy: -535.836 Base-Backbone interact. energy: 0.873 local terms energy: -539.966782 where: bonds (distance) C4'-P energy: -94.884 bonds (distance) P-C4' energy: -104.092 flat angles C4'-P-C4' energy: -117.738 flat angles P-C4'-P energy: -63.939 tors. eta vs tors. theta energy: -159.314 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: 5, replica: 4 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1743.810140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.810140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.810140 (E_RNA) where: Base-Base interactions energy: -1234.968 where: short stacking energy: -522.562 Base-Backbone interact. energy: -0.313 local terms energy: -508.528523 where: bonds (distance) C4'-P energy: -82.119 bonds (distance) P-C4' energy: -100.552 flat angles C4'-P-C4' energy: -113.465 flat angles P-C4'-P energy: -69.770 tors. eta vs tors. theta energy: -142.622 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: 6, replica: 9 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1585.785454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.785454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.785454 (E_RNA) where: Base-Base interactions energy: -1088.404 where: short stacking energy: -448.517 Base-Backbone interact. energy: -1.441 local terms energy: -495.940361 where: bonds (distance) C4'-P energy: -91.489 bonds (distance) P-C4' energy: -95.224 flat angles C4'-P-C4' energy: -118.231 flat angles P-C4'-P energy: -72.420 tors. eta vs tors. theta energy: -118.576 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: 7, replica: 5 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1502.238673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.238673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.238673 (E_RNA) where: Base-Base interactions energy: -1020.877 where: short stacking energy: -409.172 Base-Backbone interact. energy: 1.283 local terms energy: -482.644972 where: bonds (distance) C4'-P energy: -90.580 bonds (distance) P-C4' energy: -115.328 flat angles C4'-P-C4' energy: -102.207 flat angles P-C4'-P energy: -65.252 tors. eta vs tors. theta energy: -109.278 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: 10 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1309.956517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.956517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.956517 (E_RNA) where: Base-Base interactions energy: -852.390 where: short stacking energy: -385.872 Base-Backbone interact. energy: -0.645 local terms energy: -456.921495 where: bonds (distance) C4'-P energy: -89.395 bonds (distance) P-C4' energy: -108.644 flat angles C4'-P-C4' energy: -96.345 flat angles P-C4'-P energy: -68.799 tors. eta vs tors. theta energy: -93.738 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: 7 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1143.204295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.204295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.204295 (E_RNA) where: Base-Base interactions energy: -732.261 where: short stacking energy: -309.661 Base-Backbone interact. energy: 4.464 local terms energy: -415.407714 where: bonds (distance) C4'-P energy: -93.529 bonds (distance) P-C4' energy: -96.670 flat angles C4'-P-C4' energy: -95.171 flat angles P-C4'-P energy: -63.618 tors. eta vs tors. theta energy: -66.420 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: 10, replica: 6 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -1131.456680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.456680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.456680 (E_RNA) where: Base-Base interactions energy: -723.503 where: short stacking energy: -327.009 Base-Backbone interact. energy: 2.687 local terms energy: -410.640656 where: bonds (distance) C4'-P energy: -86.258 bonds (distance) P-C4' energy: -102.623 flat angles C4'-P-C4' energy: -102.924 flat angles P-C4'-P energy: -52.401 tors. eta vs tors. theta energy: -66.435 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: 8 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1919.331849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.331849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.331849 (E_RNA) where: Base-Base interactions energy: -1333.199 where: short stacking energy: -549.841 Base-Backbone interact. energy: -1.614 local terms energy: -584.519553 where: bonds (distance) C4'-P energy: -99.779 bonds (distance) P-C4' energy: -121.355 flat angles C4'-P-C4' energy: -123.638 flat angles P-C4'-P energy: -81.635 tors. eta vs tors. theta energy: -158.112 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: 3 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1916.448155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.448155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.448155 (E_RNA) where: Base-Base interactions energy: -1329.151 where: short stacking energy: -534.539 Base-Backbone interact. energy: -4.032 local terms energy: -583.265227 where: bonds (distance) C4'-P energy: -105.841 bonds (distance) P-C4' energy: -121.453 flat angles C4'-P-C4' energy: -111.530 flat angles P-C4'-P energy: -85.388 tors. eta vs tors. theta energy: -159.053 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: 2 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1874.186198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.186198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.186198 (E_RNA) where: Base-Base interactions energy: -1331.351 where: short stacking energy: -550.524 Base-Backbone interact. energy: 2.602 local terms energy: -545.438183 where: bonds (distance) C4'-P energy: -97.025 bonds (distance) P-C4' energy: -97.093 flat angles C4'-P-C4' energy: -123.076 flat angles P-C4'-P energy: -69.234 tors. eta vs tors. theta energy: -159.010 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: 4, replica: 1 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1810.429154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.429154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.429154 (E_RNA) where: Base-Base interactions energy: -1287.539 where: short stacking energy: -522.964 Base-Backbone interact. energy: 5.720 local terms energy: -528.609952 where: bonds (distance) C4'-P energy: -100.454 bonds (distance) P-C4' energy: -93.912 flat angles C4'-P-C4' energy: -106.525 flat angles P-C4'-P energy: -77.433 tors. eta vs tors. theta energy: -150.286 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: 468 Temperature: 1.100000 Total energy: -1732.897313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.897313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.897313 (E_RNA) where: Base-Base interactions energy: -1229.232 where: short stacking energy: -515.737 Base-Backbone interact. energy: 3.124 local terms energy: -506.789730 where: bonds (distance) C4'-P energy: -80.255 bonds (distance) P-C4' energy: -104.757 flat angles C4'-P-C4' energy: -106.175 flat angles P-C4'-P energy: -78.693 tors. eta vs tors. theta energy: -136.910 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: 9 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1606.924882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.924882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.924882 (E_RNA) where: Base-Base interactions energy: -1097.733 where: short stacking energy: -486.759 Base-Backbone interact. energy: 0.119 local terms energy: -509.311440 where: bonds (distance) C4'-P energy: -91.111 bonds (distance) P-C4' energy: -107.107 flat angles C4'-P-C4' energy: -103.255 flat angles P-C4'-P energy: -71.094 tors. eta vs tors. theta energy: -136.743 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: 7, replica: 5 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1497.663825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.663825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.663825 (E_RNA) where: Base-Base interactions energy: -1034.115 where: short stacking energy: -431.407 Base-Backbone interact. energy: -0.786 local terms energy: -462.762981 where: bonds (distance) C4'-P energy: -89.477 bonds (distance) P-C4' energy: -96.417 flat angles C4'-P-C4' energy: -95.252 flat angles P-C4'-P energy: -72.011 tors. eta vs tors. theta energy: -109.606 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: 8, replica: 10 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1278.834055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.834055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.834055 (E_RNA) where: Base-Base interactions energy: -841.956 where: short stacking energy: -357.270 Base-Backbone interact. energy: -0.073 local terms energy: -436.804492 where: bonds (distance) C4'-P energy: -99.645 bonds (distance) P-C4' energy: -104.803 flat angles C4'-P-C4' energy: -95.504 flat angles P-C4'-P energy: -57.252 tors. eta vs tors. theta energy: -79.600 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: 9, replica: 6 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1139.651453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.651453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.651453 (E_RNA) where: Base-Base interactions energy: -724.843 where: short stacking energy: -332.659 Base-Backbone interact. energy: -0.971 local terms energy: -413.838045 where: bonds (distance) C4'-P energy: -88.890 bonds (distance) P-C4' energy: -98.939 flat angles C4'-P-C4' energy: -96.229 flat angles P-C4'-P energy: -68.807 tors. eta vs tors. theta energy: -60.973 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: 10, replica: 7 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -1110.078604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.078604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.078604 (E_RNA) where: Base-Base interactions energy: -721.765 where: short stacking energy: -308.159 Base-Backbone interact. energy: 1.052 local terms energy: -389.365779 where: bonds (distance) C4'-P energy: -88.846 bonds (distance) P-C4' energy: -102.182 flat angles C4'-P-C4' energy: -83.390 flat angles P-C4'-P energy: -60.646 tors. eta vs tors. theta energy: -54.301 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: 8 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1916.616973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.616973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.616973 (E_RNA) where: Base-Base interactions energy: -1345.645 where: short stacking energy: -555.078 Base-Backbone interact. energy: 0.936 local terms energy: -571.908197 where: bonds (distance) C4'-P energy: -91.515 bonds (distance) P-C4' energy: -115.772 flat angles C4'-P-C4' energy: -124.261 flat angles P-C4'-P energy: -84.652 tors. eta vs tors. theta energy: -155.708 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: 2, replica: 3 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1925.001220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.001220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.001220 (E_RNA) where: Base-Base interactions energy: -1353.188 where: short stacking energy: -546.153 Base-Backbone interact. energy: 0.327 local terms energy: -572.140607 where: bonds (distance) C4'-P energy: -94.804 bonds (distance) P-C4' energy: -116.572 flat angles C4'-P-C4' energy: -119.264 flat angles P-C4'-P energy: -84.823 tors. eta vs tors. theta energy: -156.678 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: 3, replica: 2 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1833.633825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.633825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.633825 (E_RNA) where: Base-Base interactions energy: -1301.254 where: short stacking energy: -524.509 Base-Backbone interact. energy: 0.972 local terms energy: -533.351595 where: bonds (distance) C4'-P energy: -90.064 bonds (distance) P-C4' energy: -108.853 flat angles C4'-P-C4' energy: -110.245 flat angles P-C4'-P energy: -77.954 tors. eta vs tors. theta energy: -146.236 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: 4, replica: 1 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1853.168850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.168850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.168850 (E_RNA) where: Base-Base interactions energy: -1313.751 where: short stacking energy: -533.385 Base-Backbone interact. energy: 1.390 local terms energy: -540.808094 where: bonds (distance) C4'-P energy: -92.430 bonds (distance) P-C4' energy: -104.889 flat angles C4'-P-C4' energy: -112.325 flat angles P-C4'-P energy: -76.675 tors. eta vs tors. theta energy: -154.490 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: 4 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1745.430164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.430164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.430164 (E_RNA) where: Base-Base interactions energy: -1207.947 where: short stacking energy: -486.419 Base-Backbone interact. energy: 0.606 local terms energy: -538.088983 where: bonds (distance) C4'-P energy: -101.330 bonds (distance) P-C4' energy: -111.050 flat angles C4'-P-C4' energy: -109.954 flat angles P-C4'-P energy: -78.341 tors. eta vs tors. theta energy: -137.414 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: 6, replica: 9 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1653.910113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.910113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.910113 (E_RNA) where: Base-Base interactions energy: -1155.704 where: short stacking energy: -491.735 Base-Backbone interact. energy: 3.920 local terms energy: -502.125970 where: bonds (distance) C4'-P energy: -88.212 bonds (distance) P-C4' energy: -99.588 flat angles C4'-P-C4' energy: -107.918 flat angles P-C4'-P energy: -72.832 tors. eta vs tors. theta energy: -133.577 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: 5 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1473.453842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.453842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.453842 (E_RNA) where: Base-Base interactions energy: -1013.076 where: short stacking energy: -419.793 Base-Backbone interact. energy: -1.674 local terms energy: -458.703984 where: bonds (distance) C4'-P energy: -89.910 bonds (distance) P-C4' energy: -96.118 flat angles C4'-P-C4' energy: -101.750 flat angles P-C4'-P energy: -61.171 tors. eta vs tors. theta energy: -109.756 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: 10 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1296.156792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.156792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.156792 (E_RNA) where: Base-Base interactions energy: -875.370 where: short stacking energy: -394.529 Base-Backbone interact. energy: 3.239 local terms energy: -424.025652 where: bonds (distance) C4'-P energy: -87.904 bonds (distance) P-C4' energy: -94.865 flat angles C4'-P-C4' energy: -92.016 flat angles P-C4'-P energy: -68.167 tors. eta vs tors. theta energy: -81.074 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: 9, replica: 6 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1150.580227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.580227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.580227 (E_RNA) where: Base-Base interactions energy: -718.660 where: short stacking energy: -320.743 Base-Backbone interact. energy: -0.160 local terms energy: -431.760094 where: bonds (distance) C4'-P energy: -98.088 bonds (distance) P-C4' energy: -98.532 flat angles C4'-P-C4' energy: -93.619 flat angles P-C4'-P energy: -64.117 tors. eta vs tors. theta energy: -77.403 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: 7 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -1138.583679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.583679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.583679 (E_RNA) where: Base-Base interactions energy: -731.470 where: short stacking energy: -327.436 Base-Backbone interact. energy: 2.130 local terms energy: -409.243623 where: bonds (distance) C4'-P energy: -82.399 bonds (distance) P-C4' energy: -97.184 flat angles C4'-P-C4' energy: -91.687 flat angles P-C4'-P energy: -74.703 tors. eta vs tors. theta energy: -63.271 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: 1, replica: 8 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1930.070129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.070129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.070129 (E_RNA) where: Base-Base interactions energy: -1360.662 where: short stacking energy: -547.176 Base-Backbone interact. energy: -0.683 local terms energy: -568.724953 where: bonds (distance) C4'-P energy: -103.223 bonds (distance) P-C4' energy: -101.898 flat angles C4'-P-C4' energy: -127.175 flat angles P-C4'-P energy: -81.040 tors. eta vs tors. theta energy: -155.389 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: 2, replica: 3 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1880.474792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.474792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.474792 (E_RNA) where: Base-Base interactions energy: -1318.740 where: short stacking energy: -545.087 Base-Backbone interact. energy: -0.389 local terms energy: -561.345884 where: bonds (distance) C4'-P energy: -99.160 bonds (distance) P-C4' energy: -97.080 flat angles C4'-P-C4' energy: -119.880 flat angles P-C4'-P energy: -91.393 tors. eta vs tors. theta energy: -153.833 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: 2 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1872.479356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.479356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.479356 (E_RNA) where: Base-Base interactions energy: -1301.544 where: short stacking energy: -556.092 Base-Backbone interact. energy: 1.483 local terms energy: -572.418246 where: bonds (distance) C4'-P energy: -95.135 bonds (distance) P-C4' energy: -112.171 flat angles C4'-P-C4' energy: -121.469 flat angles P-C4'-P energy: -82.379 tors. eta vs tors. theta energy: -161.264 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: 4, replica: 1 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1789.800885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.800885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.800885 (E_RNA) where: Base-Base interactions energy: -1254.148 where: short stacking energy: -532.470 Base-Backbone interact. energy: -3.324 local terms energy: -532.329030 where: bonds (distance) C4'-P energy: -88.547 bonds (distance) P-C4' energy: -105.827 flat angles C4'-P-C4' energy: -105.410 flat angles P-C4'-P energy: -76.084 tors. eta vs tors. theta energy: -156.461 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: 5, replica: 4 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1678.013335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.013335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.013335 (E_RNA) where: Base-Base interactions energy: -1191.231 where: short stacking energy: -491.896 Base-Backbone interact. energy: 1.474 local terms energy: -488.255611 where: bonds (distance) C4'-P energy: -92.781 bonds (distance) P-C4' energy: -96.490 flat angles C4'-P-C4' energy: -111.490 flat angles P-C4'-P energy: -60.153 tors. eta vs tors. theta energy: -127.341 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: 9 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1638.025939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.025939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.025939 (E_RNA) where: Base-Base interactions energy: -1114.636 where: short stacking energy: -470.359 Base-Backbone interact. energy: 1.491 local terms energy: -524.880382 where: bonds (distance) C4'-P energy: -90.496 bonds (distance) P-C4' energy: -115.686 flat angles C4'-P-C4' energy: -126.567 flat angles P-C4'-P energy: -63.899 tors. eta vs tors. theta energy: -128.232 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: 7, replica: 5 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1510.743304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.743304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.743304 (E_RNA) where: Base-Base interactions energy: -1017.647 where: short stacking energy: -433.151 Base-Backbone interact. energy: 1.477 local terms energy: -494.573383 where: bonds (distance) C4'-P energy: -90.471 bonds (distance) P-C4' energy: -107.892 flat angles C4'-P-C4' energy: -100.883 flat angles P-C4'-P energy: -67.446 tors. eta vs tors. theta energy: -127.882 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: 8, replica: 10 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1321.057294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.057294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.057294 (E_RNA) where: Base-Base interactions energy: -870.504 where: short stacking energy: -384.578 Base-Backbone interact. energy: -0.427 local terms energy: -450.126271 where: bonds (distance) C4'-P energy: -88.341 bonds (distance) P-C4' energy: -88.251 flat angles C4'-P-C4' energy: -99.340 flat angles P-C4'-P energy: -71.211 tors. eta vs tors. theta energy: -102.983 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: 7 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1147.958814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.958814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.958814 (E_RNA) where: Base-Base interactions energy: -737.401 where: short stacking energy: -312.411 Base-Backbone interact. energy: 0.167 local terms energy: -410.724669 where: bonds (distance) C4'-P energy: -82.703 bonds (distance) P-C4' energy: -102.494 flat angles C4'-P-C4' energy: -93.565 flat angles P-C4'-P energy: -65.792 tors. eta vs tors. theta energy: -66.171 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: 470 Temperature: 1.350000 Total energy: -1094.479242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.479242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.479242 (E_RNA) where: Base-Base interactions energy: -707.066 where: short stacking energy: -310.783 Base-Backbone interact. energy: -0.806 local terms energy: -386.606424 where: bonds (distance) C4'-P energy: -84.428 bonds (distance) P-C4' energy: -89.678 flat angles C4'-P-C4' energy: -86.792 flat angles P-C4'-P energy: -64.065 tors. eta vs tors. theta energy: -61.643 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: 8 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1935.067354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.067354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.067354 (E_RNA) where: Base-Base interactions energy: -1359.975 where: short stacking energy: -567.371 Base-Backbone interact. energy: -1.583 local terms energy: -573.509081 where: bonds (distance) C4'-P energy: -96.522 bonds (distance) P-C4' energy: -115.257 flat angles C4'-P-C4' energy: -122.709 flat angles P-C4'-P energy: -80.055 tors. eta vs tors. theta energy: -158.967 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: 3 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1870.449981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.449981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.449981 (E_RNA) where: Base-Base interactions energy: -1314.459 where: short stacking energy: -538.211 Base-Backbone interact. energy: 1.689 local terms energy: -557.679529 where: bonds (distance) C4'-P energy: -105.872 bonds (distance) P-C4' energy: -107.228 flat angles C4'-P-C4' energy: -106.726 flat angles P-C4'-P energy: -82.343 tors. eta vs tors. theta energy: -155.510 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: 3, replica: 2 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1869.784260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.784260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.784260 (E_RNA) where: Base-Base interactions energy: -1315.454 where: short stacking energy: -558.836 Base-Backbone interact. energy: 1.390 local terms energy: -555.719811 where: bonds (distance) C4'-P energy: -100.707 bonds (distance) P-C4' energy: -99.339 flat angles C4'-P-C4' energy: -116.053 flat angles P-C4'-P energy: -79.759 tors. eta vs tors. theta energy: -159.862 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: 4, replica: 1 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1812.928021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.928021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.928021 (E_RNA) where: Base-Base interactions energy: -1286.499 where: short stacking energy: -516.914 Base-Backbone interact. energy: -1.586 local terms energy: -524.843225 where: bonds (distance) C4'-P energy: -83.558 bonds (distance) P-C4' energy: -106.151 flat angles C4'-P-C4' energy: -112.146 flat angles P-C4'-P energy: -77.415 tors. eta vs tors. theta energy: -145.574 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: 5, replica: 4 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1722.404115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.404115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.404115 (E_RNA) where: Base-Base interactions energy: -1204.205 where: short stacking energy: -480.429 Base-Backbone interact. energy: -0.840 local terms energy: -517.358988 where: bonds (distance) C4'-P energy: -89.770 bonds (distance) P-C4' energy: -108.761 flat angles C4'-P-C4' energy: -114.264 flat angles P-C4'-P energy: -68.058 tors. eta vs tors. theta energy: -136.506 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: 9 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1638.769917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.769917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.769917 (E_RNA) where: Base-Base interactions energy: -1130.033 where: short stacking energy: -483.732 Base-Backbone interact. energy: 4.308 local terms energy: -513.044881 where: bonds (distance) C4'-P energy: -90.778 bonds (distance) P-C4' energy: -106.464 flat angles C4'-P-C4' energy: -110.133 flat angles P-C4'-P energy: -80.804 tors. eta vs tors. theta energy: -124.866 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: 5 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1494.278047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.278047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.278047 (E_RNA) where: Base-Base interactions energy: -1040.708 where: short stacking energy: -424.179 Base-Backbone interact. energy: 4.724 local terms energy: -458.294054 where: bonds (distance) C4'-P energy: -96.031 bonds (distance) P-C4' energy: -90.577 flat angles C4'-P-C4' energy: -111.940 flat angles P-C4'-P energy: -55.048 tors. eta vs tors. theta energy: -104.698 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: 10 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1283.157558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.157558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.157558 (E_RNA) where: Base-Base interactions energy: -850.958 where: short stacking energy: -357.476 Base-Backbone interact. energy: -1.694 local terms energy: -430.505862 where: bonds (distance) C4'-P energy: -104.437 bonds (distance) P-C4' energy: -100.490 flat angles C4'-P-C4' energy: -79.625 flat angles P-C4'-P energy: -64.522 tors. eta vs tors. theta energy: -81.432 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: 7 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1154.348659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.348659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.348659 (E_RNA) where: Base-Base interactions energy: -750.469 where: short stacking energy: -350.401 Base-Backbone interact. energy: -0.830 local terms energy: -403.050054 where: bonds (distance) C4'-P energy: -86.830 bonds (distance) P-C4' energy: -89.901 flat angles C4'-P-C4' energy: -97.773 flat angles P-C4'-P energy: -63.275 tors. eta vs tors. theta energy: -65.271 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: 10, replica: 6 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -1116.629039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.629039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.629039 (E_RNA) where: Base-Base interactions energy: -711.396 where: short stacking energy: -328.947 Base-Backbone interact. energy: 2.171 local terms energy: -407.403890 where: bonds (distance) C4'-P energy: -75.904 bonds (distance) P-C4' energy: -110.335 flat angles C4'-P-C4' energy: -80.736 flat angles P-C4'-P energy: -58.144 tors. eta vs tors. theta energy: -82.284 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: 3 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1903.374505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.374505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.374505 (E_RNA) where: Base-Base interactions energy: -1319.229 where: short stacking energy: -538.277 Base-Backbone interact. energy: -0.963 local terms energy: -583.182934 where: bonds (distance) C4'-P energy: -111.253 bonds (distance) P-C4' energy: -109.577 flat angles C4'-P-C4' energy: -121.129 flat angles P-C4'-P energy: -89.910 tors. eta vs tors. theta energy: -151.314 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: 2, replica: 8 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1910.045256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.045256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.045256 (E_RNA) where: Base-Base interactions energy: -1338.599 where: short stacking energy: -552.896 Base-Backbone interact. energy: -1.228 local terms energy: -570.218732 where: bonds (distance) C4'-P energy: -98.838 bonds (distance) P-C4' energy: -105.923 flat angles C4'-P-C4' energy: -120.019 flat angles P-C4'-P energy: -90.269 tors. eta vs tors. theta energy: -155.170 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: 3, replica: 2 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1832.533982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.533982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.533982 (E_RNA) where: Base-Base interactions energy: -1295.872 where: short stacking energy: -532.386 Base-Backbone interact. energy: 0.933 local terms energy: -537.595339 where: bonds (distance) C4'-P energy: -88.237 bonds (distance) P-C4' energy: -107.928 flat angles C4'-P-C4' energy: -113.163 flat angles P-C4'-P energy: -78.497 tors. eta vs tors. theta energy: -149.771 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: 1 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1830.476679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.476679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.476679 (E_RNA) where: Base-Base interactions energy: -1288.845 where: short stacking energy: -518.971 Base-Backbone interact. energy: 1.265 local terms energy: -542.895765 where: bonds (distance) C4'-P energy: -98.582 bonds (distance) P-C4' energy: -105.246 flat angles C4'-P-C4' energy: -114.760 flat angles P-C4'-P energy: -75.402 tors. eta vs tors. theta energy: -148.907 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: 5, replica: 4 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1723.929463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.929463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.929463 (E_RNA) where: Base-Base interactions energy: -1194.932 where: short stacking energy: -491.857 Base-Backbone interact. energy: -0.823 local terms energy: -528.174279 where: bonds (distance) C4'-P energy: -90.283 bonds (distance) P-C4' energy: -115.762 flat angles C4'-P-C4' energy: -110.417 flat angles P-C4'-P energy: -75.540 tors. eta vs tors. theta energy: -136.173 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: 9 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1640.566306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.566306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.566306 (E_RNA) where: Base-Base interactions energy: -1122.776 where: short stacking energy: -481.914 Base-Backbone interact. energy: -1.527 local terms energy: -516.263869 where: bonds (distance) C4'-P energy: -88.181 bonds (distance) P-C4' energy: -105.799 flat angles C4'-P-C4' energy: -115.239 flat angles P-C4'-P energy: -74.426 tors. eta vs tors. theta energy: -132.619 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: 7, replica: 5 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1477.878218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.878218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.878218 (E_RNA) where: Base-Base interactions energy: -1012.595 where: short stacking energy: -448.785 Base-Backbone interact. energy: 2.355 local terms energy: -467.637940 where: bonds (distance) C4'-P energy: -86.766 bonds (distance) P-C4' energy: -91.781 flat angles C4'-P-C4' energy: -104.038 flat angles P-C4'-P energy: -66.144 tors. eta vs tors. theta energy: -118.908 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: 10 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1277.759875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.759875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.759875 (E_RNA) where: Base-Base interactions energy: -848.555 where: short stacking energy: -375.607 Base-Backbone interact. energy: -1.219 local terms energy: -427.986199 where: bonds (distance) C4'-P energy: -82.077 bonds (distance) P-C4' energy: -102.353 flat angles C4'-P-C4' energy: -88.656 flat angles P-C4'-P energy: -71.745 tors. eta vs tors. theta energy: -83.156 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: 9, replica: 6 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1128.834077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.834077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.834077 (E_RNA) where: Base-Base interactions energy: -723.644 where: short stacking energy: -335.613 Base-Backbone interact. energy: -0.935 local terms energy: -404.255138 where: bonds (distance) C4'-P energy: -85.873 bonds (distance) P-C4' energy: -85.129 flat angles C4'-P-C4' energy: -97.809 flat angles P-C4'-P energy: -67.968 tors. eta vs tors. theta energy: -67.476 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: 7 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -1092.136365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.136365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.136365 (E_RNA) where: Base-Base interactions energy: -708.665 where: short stacking energy: -321.906 Base-Backbone interact. energy: 3.396 local terms energy: -386.867312 where: bonds (distance) C4'-P energy: -79.067 bonds (distance) P-C4' energy: -92.603 flat angles C4'-P-C4' energy: -97.415 flat angles P-C4'-P energy: -63.526 tors. eta vs tors. theta energy: -54.256 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: 1, replica: 3 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1904.073691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.073691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.073691 (E_RNA) where: Base-Base interactions energy: -1324.757 where: short stacking energy: -554.238 Base-Backbone interact. energy: -2.152 local terms energy: -577.165014 where: bonds (distance) C4'-P energy: -103.092 bonds (distance) P-C4' energy: -115.039 flat angles C4'-P-C4' energy: -116.929 flat angles P-C4'-P energy: -87.759 tors. eta vs tors. theta energy: -154.346 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: 2, replica: 8 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1882.530645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.530645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.530645 (E_RNA) where: Base-Base interactions energy: -1295.846 where: short stacking energy: -544.950 Base-Backbone interact. energy: -1.600 local terms energy: -585.085166 where: bonds (distance) C4'-P energy: -108.933 bonds (distance) P-C4' energy: -114.677 flat angles C4'-P-C4' energy: -114.010 flat angles P-C4'-P energy: -84.425 tors. eta vs tors. theta energy: -163.040 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: 3, replica: 2 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1820.895402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.895402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.895402 (E_RNA) where: Base-Base interactions energy: -1272.601 where: short stacking energy: -524.646 Base-Backbone interact. energy: -1.372 local terms energy: -546.922212 where: bonds (distance) C4'-P energy: -92.242 bonds (distance) P-C4' energy: -110.661 flat angles C4'-P-C4' energy: -103.478 flat angles P-C4'-P energy: -82.973 tors. eta vs tors. theta energy: -157.569 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: 1 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1786.727864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.727864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.727864 (E_RNA) where: Base-Base interactions energy: -1269.632 where: short stacking energy: -516.129 Base-Backbone interact. energy: -0.725 local terms energy: -516.370585 where: bonds (distance) C4'-P energy: -91.866 bonds (distance) P-C4' energy: -108.664 flat angles C4'-P-C4' energy: -109.638 flat angles P-C4'-P energy: -67.573 tors. eta vs tors. theta energy: -138.629 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: 5, replica: 4 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1724.513995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.513995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.513995 (E_RNA) where: Base-Base interactions energy: -1200.374 where: short stacking energy: -493.705 Base-Backbone interact. energy: 3.041 local terms energy: -527.181066 where: bonds (distance) C4'-P energy: -95.720 bonds (distance) P-C4' energy: -104.450 flat angles C4'-P-C4' energy: -103.796 flat angles P-C4'-P energy: -81.477 tors. eta vs tors. theta energy: -141.738 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: 6, replica: 9 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1632.243593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.243593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.243593 (E_RNA) where: Base-Base interactions energy: -1130.245 where: short stacking energy: -474.109 Base-Backbone interact. energy: -0.326 local terms energy: -501.672362 where: bonds (distance) C4'-P energy: -87.460 bonds (distance) P-C4' energy: -102.792 flat angles C4'-P-C4' energy: -107.180 flat angles P-C4'-P energy: -72.824 tors. eta vs tors. theta energy: -131.416 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: 5 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1467.246783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.246783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.246783 (E_RNA) where: Base-Base interactions energy: -986.505 where: short stacking energy: -422.603 Base-Backbone interact. energy: -0.549 local terms energy: -480.192902 where: bonds (distance) C4'-P energy: -100.071 bonds (distance) P-C4' energy: -106.342 flat angles C4'-P-C4' energy: -100.289 flat angles P-C4'-P energy: -65.911 tors. eta vs tors. theta energy: -107.580 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: 10 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1313.082298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.082298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.082298 (E_RNA) where: Base-Base interactions energy: -896.696 where: short stacking energy: -389.238 Base-Backbone interact. energy: 2.082 local terms energy: -418.468675 where: bonds (distance) C4'-P energy: -78.432 bonds (distance) P-C4' energy: -102.973 flat angles C4'-P-C4' energy: -92.342 flat angles P-C4'-P energy: -60.708 tors. eta vs tors. theta energy: -84.012 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: 9, replica: 6 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -1135.216181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.216181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.216181 (E_RNA) where: Base-Base interactions energy: -724.877 where: short stacking energy: -336.672 Base-Backbone interact. energy: -0.488 local terms energy: -409.851043 where: bonds (distance) C4'-P energy: -87.269 bonds (distance) P-C4' energy: -104.431 flat angles C4'-P-C4' energy: -87.820 flat angles P-C4'-P energy: -63.876 tors. eta vs tors. theta energy: -66.455 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: 10, replica: 7 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -1124.042014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.042014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.042014 (E_RNA) where: Base-Base interactions energy: -712.851 where: short stacking energy: -334.097 Base-Backbone interact. energy: 1.312 local terms energy: -412.502253 where: bonds (distance) C4'-P energy: -92.894 bonds (distance) P-C4' energy: -105.911 flat angles C4'-P-C4' energy: -97.579 flat angles P-C4'-P energy: -57.156 tors. eta vs tors. theta energy: -58.963 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)